Sample records for vibrational thermodynamics coupling

  1. Heterogeneous Dynamics of Coupled Vibrations

    NARCIS (Netherlands)

    Cringus, Dan; Jansen, Thomas I. C.; Pshenichnikov, Maxim S.; Schoenlein, RW; Corkum, P; DeSilvestri, S; Nelson, KA; Riedle, E


    Frequency-dependent dynamics of coupled stretch vibrations of a water molecule are revealed by 2D IR correlation spectroscopy. These are caused by non-Gaussian fluctuations of the environment around the individual OH stretch vibrations.

  2. Vibrational coupling in plasmonic molecules. (United States)

    Yi, Chongyue; Dongare, Pratiksha D; Su, Man-Nung; Wang, Wenxiao; Chakraborty, Debadi; Wen, Fangfang; Chang, Wei-Shun; Sader, John E; Nordlander, Peter; Halas, Naomi J; Link, Stephan


    Plasmon hybridization theory, inspired by molecular orbital theory, has been extremely successful in describing the near-field coupling in clusters of plasmonic nanoparticles, also known as plasmonic molecules. However, the vibrational modes of plasmonic molecules have been virtually unexplored. By designing precisely configured plasmonic molecules of varying complexity and probing them at the individual plasmonic molecule level, intramolecular coupling of acoustic modes, mediated by the underlying substrate, is observed. The strength of this coupling can be manipulated through the configuration of the plasmonic molecules. Surprisingly, classical continuum elastic theory fails to account for the experimental trends, which are well described by a simple coupled oscillator picture that assumes the vibrational coupling is mediated by coherent phonons with low energies. These findings provide a route to the systematic optical control of the gigahertz response of metallic nanostructures, opening the door to new optomechanical device strategies. Published under the PNAS license.

  3. Multiple Rabi Splittings under Ultrastrong Vibrational Coupling. (United States)

    George, Jino; Chervy, Thibault; Shalabney, Atef; Devaux, Eloïse; Hiura, Hidefumi; Genet, Cyriaque; Ebbesen, Thomas W


    From the high vibrational dipolar strength offered by molecular liquids, we demonstrate that a molecular vibration can be ultrastrongly coupled to multiple IR cavity modes, with Rabi splittings reaching 24% of the vibration frequencies. As a proof of the ultrastrong coupling regime, our experimental data unambiguously reveal the contributions to the polaritonic dynamics coming from the antiresonant terms in the interaction energy and from the dipolar self-energy of the molecular vibrations themselves. In particular, we measure the opening of a genuine vibrational polaritonic band gap of ca. 60 meV. We also demonstrate that the multimode splitting effect defines a whole vibrational ladder of heavy polaritonic states perfectly resolved. These findings reveal the broad possibilities in the vibrational ultrastrong coupling regime which impact both the optical and the molecular properties of such coupled systems, in particular, in the context of mode-selective chemistry.

  4. Finite-temperature hydrogen adsorption and desorption thermodynamics driven by soft vibration modes. (United States)

    Woo, Sung-Jae; Lee, Eui-Sup; Yoon, Mina; Kim, Yong-Hyun


    It has been widely accepted that enhanced dihydrogen adsorption is required for room-temperature hydrogen storage on nanostructured porous materials. Here we report, based on results of first-principles total energy and vibrational spectrum calculations, finite-temperature adsorption and desorption thermodynamics of hydrogen molecules that are adsorbed on the metal center of metal-porphyrin-incorporated graphene. We have revealed that the room-temperature hydrogen storage is achievable not only with the enhanced adsorption enthalpy, but also with soft-mode driven vibrational entropy of the adsorbed dihydrogen molecule. The soft vibration modes mostly result from multiple orbital coupling between the hydrogen molecule and the buckled metal center, for example, in Ca-porphyrin-incorporated graphene. Our study suggests that the current design strategy for room-temperature hydrogen storage materials should be modified with explicitly taking the finite-temperature vibration thermodynamics into account.

  5. Signatures of Solvation Thermodynamics in Spectra of Intermolecular Vibrations (United States)


    This study explores the thermodynamic and vibrational properties of water in the three-dimensional environment of solvated ions and small molecules using molecular simulations. The spectrum of intermolecular vibrations in liquid solvents provides detailed information on the shape of the local potential energy surface, which in turn determines local thermodynamic properties such as the entropy. Here, we extract this information using a spatially resolved extension of the two-phase thermodynamics method to estimate hydration water entropies based on the local vibrational density of states (3D-2PT). Combined with an analysis of solute–water and water–water interaction energies, this allows us to resolve local contributions to the solvation enthalpy, entropy, and free energy. We use this approach to study effects of ions on their surrounding water hydrogen bond network, its spectrum of intermolecular vibrations, and resulting thermodynamic properties. In the three-dimensional environment of polar and nonpolar functional groups of molecular solutes, we identify distinct hydration water species and classify them by their characteristic vibrational density of states and molecular entropies. In each case, we are able to assign variations in local hydration water entropies to specific changes in the spectrum of intermolecular vibrations. This provides an important link for the thermodynamic interpretation of vibrational spectra that are accessible to far-infrared absorption and Raman spectroscopy experiments. Our analysis provides unique microscopic details regarding the hydration of hydrophobic and hydrophilic functional groups, which enable us to identify interactions and molecular degrees of freedom that determine relevant contributions to the solvation entropy and consequently the free energy. PMID:28783431

  6. Signatures of Solvation Thermodynamics in Spectra of Intermolecular Vibrations. (United States)

    Persson, Rasmus A X; Pattni, Viren; Singh, Anurag; Kast, Stefan M; Heyden, Matthias


    This study explores the thermodynamic and vibrational properties of water in the three-dimensional environment of solvated ions and small molecules using molecular simulations. The spectrum of intermolecular vibrations in liquid solvents provides detailed information on the shape of the local potential energy surface, which in turn determines local thermodynamic properties such as the entropy. Here, we extract this information using a spatially resolved extension of the two-phase thermodynamics method to estimate hydration water entropies based on the local vibrational density of states (3D-2PT). Combined with an analysis of solute-water and water-water interaction energies, this allows us to resolve local contributions to the solvation enthalpy, entropy, and free energy. We use this approach to study effects of ions on their surrounding water hydrogen bond network, its spectrum of intermolecular vibrations, and resulting thermodynamic properties. In the three-dimensional environment of polar and nonpolar functional groups of molecular solutes, we identify distinct hydration water species and classify them by their characteristic vibrational density of states and molecular entropies. In each case, we are able to assign variations in local hydration water entropies to specific changes in the spectrum of intermolecular vibrations. This provides an important link for the thermodynamic interpretation of vibrational spectra that are accessible to far-infrared absorption and Raman spectroscopy experiments. Our analysis provides unique microscopic details regarding the hydration of hydrophobic and hydrophilic functional groups, which enable us to identify interactions and molecular degrees of freedom that determine relevant contributions to the solvation entropy and consequently the free energy.

  7. Coupled rotor/airframe vibration analysis (United States)

    Sopher, R.; Studwell, R. E.; Cassarino, S.; Kottapalli, S. B. R.


    A coupled rotor/airframe vibration analysis developed as a design tool for predicting helicopter vibrations and a research tool to quantify the effects of structural properties, aerodynamic interactions, and vibration reduction devices on vehicle vibration levels is described. The analysis consists of a base program utilizing an impedance matching technique to represent the coupled rotor/airframe dynamics of the system supported by inputs from several external programs supplying sophisticated rotor and airframe aerodynamic and structural dynamic representation. The theoretical background, computer program capabilities and limited correlation results are presented in this report. Correlation results using scale model wind tunnel results show that the analysis can adequately predict trends of vibration variations with airspeed and higher harmonic control effects. Predictions of absolute values of vibration levels were found to be very sensitive to modal characteristics and results were not representative of measured values.

  8. The effects of isomerism on the vibrational spectra and thermodynamic characteristics of biuret in the gas phase (United States)

    Korolevich, M. V.; Lastochkina, V. A.; Frenkel, M. L.; Kabo, G. Ya.; Zhbankov, R. G.


    A theoretical study of the IR spectra of cis- and trans-isomers of biuret, based on coupled calculations of vibrational frequencies as a valence force field approximation and of absorption band intensities by the CNDO/2 method, is reported. Calculated thermodynamic functions for biuret agreed with experimental thermochemical data. For calculating the vibrations of an isolated biuret molecule, the experimental vapour-phase IR absorption spectra were used.

  9. Coupled electromechanical model of an imperfect piezoelectric vibrating cylinder gyroscope

    CSIR Research Space (South Africa)

    Loveday, PW


    Full Text Available Coupled electromechanical equations of motion, describing the dynamics of a vibrating cylinder gyroscope, are derived using Hamilton's principle and the Rayleigh-Ritz method. The vibrating cylinder gyroscope comprises a thin walled steel cylinder...

  10. the Analysis of Coupled Lateral Torsional Vibrations

    Directory of Open Access Journals (Sweden)

    Tomasz Szolc


    Full Text Available In the paper, dynamic investigations of the rotor shaft systems are performed by means of the discrete-continuous mechanical models. In these models the rotor shaft segments are represented by the rotating cylindrical flexurally and torsionally deformable continuous viscoelastic elements. These elements are mutually connected according to the structure of the real system in the form of a stepped shaft which is suspended on concentrated inertial viscoelastic supports of linear or non-linear characteristics. At appropriate shaft crosssections, by means of massless membranes, there are attached rigid rings representing rotors, disks, gears, flywheels and others. The proposed model enables us to investigate coupled linear or non-linear lateral torsional Vibrations of the rotating systems in steady-state and transient operating conditions. As demonstrative examples, for the steam turbo-compressor under coupled lateral torsional vibrations, the transient response due to a blade falling out from the turbine rotor as well as the steady-state response in the form of parametric resonance caused by residual unbalances are presented.

  11. The allostery landscape: quantifying thermodynamic couplings in biomolecular systems

    CERN Document Server

    Cuendet, Michel A; LeVine, Michael V


    Allostery plays a fundament role in most biological processes. However, little theory is available to describe it outside of two-state models. Here we use a statistical mechanical approach to show that the allosteric coupling between two collective variables is not a single number, but instead a two-dimensional thermodynamic coupling function that is directly related to the mutual information from information theory and the copula density function from probability theory. On this basis, we demonstrate how to quantify the contribution of specific energy terms to this thermodynamic coupling function, enabling a decomposition that reveals the mechanism of allostery. We illustrate the thermodynamic coupling function and its use by showing how allosteric coupling in the alanine dipeptide molecule contributes to the overall shape of the {\\Phi}/{\\Psi} free energy surface, and by identifying the interactions that are necessary for this coupling.

  12. Communication: creation of molecular vibrational motions via the rotation-vibration coupling

    DEFF Research Database (Denmark)

    Shu, Chuan-Cun; Henriksen, Niels Engholm


    whereas a fast rotational excitation leads to a non-stationary vibrational motion. As a result, under field-free postpulse conditions, either a stretched stationary bond or a vibrating bond can be created due to the coupling between the rotational and vibrational degrees of freedom. The latter corresponds......Building on recent advances in the rotational excitation of molecules, we show how the effect of rotation-vibration coupling can be switched on in a controlled manner and how this coupling unfolds in real time after a pure rotational excitation. We present the first examination of the vibrational...... motions which can be induced via the rotation-vibration coupling after a pulsed rotational excitation. A time-dependent quantum wave packet calculation for the HF molecule shows how a slow (compared to the vibrational period) rotational excitation leads to a smooth increase in the average bond length...

  13. Thermodynamics in Modified Gravity with Curvature Matter Coupling

    Directory of Open Access Journals (Sweden)

    M. Sharif


    Full Text Available The first and generalized second laws of thermodynamics are studied in f(R,Lm gravity, a more general modified theory with curvature matter coupling. It is found that one can translate the Friedmann equations to the form of first law accompanied with entropy production term. This behavior is due to the nonequilibrium thermodynamics in this theory. We establish the generalized second law of thermodynamics and develop the constraints on coupling parameters for two specific models. It is concluded that laws of thermodynamics in this modified theory are more general and can reproduce the corresponding results in Einstein, f(R gravity, and f(R gravity with arbitrary as well as nonminimal curvature matter coupling.

  14. Analytical Evaluation of the Nonlinear Vibration of Coupled Oscillator Systems

    DEFF Research Database (Denmark)

    Bayat, M.; Shahidi, M.; Barari, Amin


    We consider periodic solutions for nonlinear free vibration of conservative, coupled mass-spring systems with linear and nonlinear stiffnesses. Two practical cases of these systems are explained and introduced. An analytical technique called energy balance method (EBM) was applied to calculate...... accuracy which is valid for a wide range of vibration amplitudes as indicated in the presented examples....

  15. Stochastic and Macroscopic Thermodynamics of Strongly Coupled Systems

    Directory of Open Access Journals (Sweden)

    Christopher Jarzynski


    Full Text Available We develop a thermodynamic framework that describes a classical system of interest S that is strongly coupled to its thermal environment E. Within this framework, seven key thermodynamic quantities—internal energy, entropy, volume, enthalpy, Gibbs free energy, heat, and work—are defined microscopically. These quantities obey thermodynamic relations including both the first and second law, and they satisfy nonequilibrium fluctuation theorems. We additionally impose a macroscopic consistency condition: When S is large, the quantities defined within our framework scale up to their macroscopic counterparts. By satisfying this condition, we demonstrate that a unifying framework can be developed, which encompasses both stochastic thermodynamics at one end, and macroscopic thermodynamics at the other. A central element in our approach is a thermodynamic definition of the volume of the system of interest, which converges to the usual geometric definition when S is large. We also sketch an alternative framework that satisfies the same consistency conditions. The dynamics of the system and environment are modeled using Hamilton’s equations in the full phase space.

  16. Thermodynamic Upper Bound on Broadband Light Coupling with Photonic Structures

    KAUST Repository

    Yu, Zongfu


    The coupling between free space radiation and optical media critically influences the performance of optical devices. We show that, for any given photonic structure, the sum of the external coupling rates for all its optical modes are subject to an upper bound dictated by the second law of thermodynamics. Such bound limits how efficient light can be coupled to any photonic structure. As one example of application, we use this upper bound to derive the limit of light absorption in broadband solar absorbers. © 2012 American Physical Society.

  17. Electronic, vibrational, superconducting and thermodynamic properties of cubic antiperovskite ZnNNi3 (United States)

    Tütüncü, H. M.; Srivastava, G. P.


    We present results of ab initio theoretical investigations of the structural and electronic properties of the cubic superconductor ZnNNi? by employing the plane wave pseudopotential method within the generalized gradient approximation. The density of states at the Fermi level is found to be governed by the Ni 3d electrons. A linear-response approach to the density functional theory is used to derive the phonon dispersion curves, vibrational density of states and the electron-phonon coupling parameter. The calculated electron-phonon coupling constant ? and the logarithmically averaged phonon frequency are calculated to be 0.654 and 169.89 K, respectively, giving the superconducting transition temperature T?=2.925 K according to the Allen-Dynes formula. Our calculated value of T? is in excellent accord with the corresponding experimental value of 3 K. Using the phonon dispersion results, we further present an assessment of important thermodynamical properties such as internal energy (E), Helmholtz free energy (F), constant-volume specific heat (C?), entropy (S) and Debye temperature (?) in the framework of quasi harmonic approximation theory.

  18. Nonlinear thermoelectric properties of molecular junctions with vibrational coupling

    DEFF Research Database (Denmark)

    Leijnse, Martin Christian; Wegewijs, M. R.; Flensberg, Karsten


    We present a detailed study of the nonlinear thermoelectric properties of a molecular junction, represented by a dissipative Anderson-Holstein model. A single-orbital level with strong Coulomb interaction is coupled to a localized vibrational mode and we account for both electron and phonon...... conditions, which are found to be qualitatively changed by the presence of the vibrational mode. Based on this study of a generic model system, we discuss the desirable properties of molecular junctions for thermoelectric applications....

  19. Tensor-decomposed vibrational coupled-cluster theory

    DEFF Research Database (Denmark)

    Madsen, Niels Kristian; Godtliebsen, Ian Heide; Christiansen, Ove

    Vibrational coupled-cluster (VCC) theory is a highly accurate method for obtaining vibrational spectra and properties of small to medium-sized molecules. Calculating the vibrational energy and wave function requires the solution of a set of non-linear equations. We have implemented an array...... of any VCC calculation is the calculation of the error vector from a set of trial amplitudes. For high-order VCC methods this shows steep polynomial scaling w.r.t. the size of the moleule and the number of one-mode basis functions. Both the computational cost and the memory requirements of the VCC solver...

  20. Diesel engine torsional vibration control coupling with speed control system (United States)

    Guo, Yibin; Li, Wanyou; Yu, Shuwen; Han, Xiao; Yuan, Yunbo; Wang, Zhipeng; Ma, Xiuzhen


    The coupling problems between shafting torsional vibration and speed control system of diesel engine are very common. Neglecting the coupling problems sometimes lead to serious oscillation and vibration during the operation of engines. For example, during the propulsion shafting operation of a diesel engine, the oscillation of engine speed and the severe vibration of gear box occur which cause the engine is unable to operate. To find the cause of the malfunctions, a simulation model coupling the speed control system with the torsional vibration of deformable shafting is proposed and investigated. In the coupling model, the shafting is simplified to be a deformable one which consists of several inertias and shaft sections and with characteristics of torsional vibration. The results of instantaneous rotation speed from this proposed model agree with the test results very well and are successful in reflecting the real oscillation state of the engine operation. Furthermore, using the proposed model, the speed control parameters can be tuned up to predict the diesel engine a stable and safe running. The results from the tests on the diesel engine with a set of tuned control parameters are consistent with the simulation results very well.

  1. Modal analysis of multistage gear systems coupled with gearbox vibrations (United States)

    Choy, F. K.; Ruan, Y. F.; Tu, Y. K.; Zakrajsek, J. J.; Townsend, D. P.


    An analytical procedure to simulate vibrations in gear transmission systems is presented. This procedure couples the dynamics of the rotor-bearing gear system with the vibration in the gear box structure. The model synthesis method is used in solving the overall dynamics of the system, and a variable time-stepping integration scheme is used in evaluating the global transient vibration of the system. Locally each gear stage is modeled as a multimass rotor-bearing system using a discrete model. The modal characteristics are calculated using the matrix-transfer technique. The gearbox structure is represented by a finite element models, and modal parameters are solved by using NASTRAN. The rotor-gear stages are coupled through nonlinear compliance in the gear mesh while the gearbox structure is coupled through the bearing supports of the rotor system. Transient and steady state vibrations of the coupled system are examined in both time and frequency domains. A typical three-geared system is used as an example for demonstration of the developed procedure.

  2. Thermodynamic limit from small lattices of coupled maps

    CERN Document Server

    Carretero-González, R; Huke, J; Broomhead, D S; Stark, J


    We compare the behaviour of a small truncated coupled map lattice with random inputs at the boundaries with that of a large deterministic lattice essentially at the thermodynamic limit. We find exponential convergence for the probability density, predictability, power spectrum, and two-point correlation with increasing truncated lattice size. This suggests that spatio-temporal embedding techniques using local observations cannot detect the presence of spatial extent in such systems and hence they may equally well be modelled by a local low dimensional stochastically driven system.

  3. Vibrationally coupled electron transport through single-molecule junctions

    Energy Technology Data Exchange (ETDEWEB)

    Haertle, Rainer


    vibrational effects have a profound influence on the transport characteristics of a single-molecule contact and play therefore a fundamental role in this transport problem. Our findings demonstrate that vibrationally coupled electron transport through a molecular junction involves two types of processes: (i) transport processes, where an electron tunnels through the molecular bridge from one lead to the other, and (ii) electron-hole pair creation processes, where an electron tunnels from one of the leads onto the molecular bridge and back to the same lead again. Transport processes directly contribute to the electrical current flowing through a molecular contact and involve both excitation and deexcitation processes of the vibrational modes of the junction. Electron-hole pair creation processes do not directly contribute to the electrical current and typically involve only deexcitation processes. Nevertheless, they constitute a cooling mechanism for the vibrational modes of a single-molecule junction that is as important as cooling by transport processes. As the level of vibrational excitation determines the efficiency of electron transport processes, they have an indirect influence on the electrical current flowing through the junction. As we show, however, this influence can be substantial, in particular, if the molecule is coupled asymmetrically to the leads. Accounting for all these processes and their complex interrelationship, we analyze a number of intriguing transport phenomena, including rectification, negative differential resistance, anomalous peak broadening, mode-selective vibrational excitation and vibrationally induced decoherence. Moreover, we show that higher levels of vibrational excitation are obtained for weaker electronic-vibrational coupling. Thus, based on physical grounds, we establish a relation between the weak electronic-vibrational coupling limit and the limit of large bias voltages, where the level of vibrational excitation in a molecular junction

  4. Signature of nonadiabatic coupling in excited-state vibrational modes. (United States)

    Soler, Miguel A; Nelson, Tammie; Roitberg, Adrian E; Tretiak, Sergei; Fernandez-Alberti, Sebastian


    Using analytical excited-state gradients, vibrational normal modes have been calculated at the minimum of the electronic excited-state potential energy surfaces for a set of extended conjugated molecules with different coupling between them. Molecular model systems composed of units of polyphenylene ethynylene (PPE), polyphenylenevinylene (PPV), and naphthacene/pentacene (NP) have been considered. In all cases except the NP model, the influence of the nonadiabatic coupling on the excited-state equilibrium normal modes is revealed as a unique highest frequency adiabatic vibrational mode that overlaps with the coupling vector. This feature is removed by using a locally diabatic representation in which the effect of NA interaction is removed. Comparison of the original adiabatic modes with a set of vibrational modes computed in the locally diabatic representation demonstrates that the effect of nonadiabaticity is confined to only a few modes. This suggests that the nonadiabatic character of a molecular system may be detected spectroscopically by identifying these unique state-specific high frequency vibrational modes.

  5. Vibrational thermodynamics of Fe90Zr7B3 nanocrystalline alloy from nuclear inelastic scattering

    DEFF Research Database (Denmark)

    Stankov, S.; Miglierini, M.; Chumakov, A. I.


    Recently we determined the iron-partial density of vibrational states (DOS) of nanocrystalline Fe(90)Zr(7)B(3) (Nanoperm), synthesized by crystallization of an amorphous precursor, for various stages of nanocrystallization separating the DOS of the nanograins from that of the interfaces [S. Stankov......, Y. Z. Yue, M. Miglierini, B. Sepiol, I. Sergueev, A. I. Chumakov, L. Hu, P. Svec, and R. Ruffer, Phys. Rev. Lett. 100, 235503 (2008)]. Here we present quantitative analysis of the evolution of various thermoelastic properties calculated from DOS such as mean-force constant, mean atomic displacement......, vibrational entropy, and lattice specific heat as the material transforms from amorphous, through nanocrystalline, to fully crystallized state. The reported results shed new light on the previously observed anomalies in the vibrational thermodynamics of nanocrystalline materials....

  6. An alternative use of Kieffer's lattice dynamics model using vibrational density of states for constructing thermodynamic databases

    NARCIS (Netherlands)

    Jacobs, M.H.G.; van den Berg, A.P.; Schmid-Fetzer, R.


    We use Kieffer's model to represent the vibrational density of states (VDoS) and thermodynamic properties of pure substances in pressure-temperature space. We show that this model can be simplified to a vibrational model in which the VDoS is represented by multiple Einstein frequencies without

  7. Computation of expectation values from vibrational coupled-cluster at the two-mode coupling level

    DEFF Research Database (Denmark)

    Zoccante, Alberto; Seidler, Peter; Christiansen, Ove


    In this work we show how the vibrational coupled-cluster method at the two-mode coupling level can be used to calculate zero-point vibrational averages of properties. A technique is presented, where any expectation value can be calculated using a single set of Lagrangian multipliers computed...... solving iteratively a single linear set of equations. Sample calculations are presented which show that the resulting algorithm scales only with the third power of the number of modes, therefore making large systems accessible. Moreover, we present applications to water, pyrrole, and para-nitroaniline....

  8. Dynamical Performances of a Vibration Absorber for Continuous Structure considering Time-Delay Coupling

    Directory of Open Access Journals (Sweden)

    Xiuting Sun


    Full Text Available The nonlinear effect incurred by time delay in vibration control is investigated in this study via a vibration absorber coupled with a continuous beam structure. The stability of the vibration absorber coupled structure system with time-delay coupling is firstly studied, which provides a general guideline for the potential time delay to be introduced to the system. Then it is shown that there is a specific region for the time delay which can bring bifurcation modes to the dynamic response of the coupling system, and the vibration energy at low frequencies can be transferred or absorbed due to the bifurcation mode and the vibration in the corresponding frequency range is thus suppressed. The nonlinear mechanism of this vibration suppression incurred by the coupling time delay is discussed in detail, which provides a novel and alternative approach to the analysis, design, and control of vibration absorbers in engineering practice.

  9. Free vibration analysis of coupled fluid-structure systems (United States)

    Gupta, K. K.


    An efficient numerical technique for the eigenvalue solution in the free vibration analysis of compressible fluid-structure coupled systems is presented. The fluid is assumed to be compressible in nature and the incompressible problem is only a special case of the present generalized algorithm. A natural frequency analysis of the structure in the absence of any fluid is achieved by a combined Sturm sequence and inverse iteration technique that computes only the required eigenvalues and vectors. A special inverse iteration scheme is then developed for the coupled system that uses the computed eigenvalues as starting iteration values for convergence. Numerical results obtained by solving a number of standard test cases indicate the pattern of root convergence corresponding to various simplifying assumptions.

  10. Higher-order diagrammatic vibrational coupled-cluster theory. (United States)

    Faucheaux, Jacob A; Hirata, So


    Diagrammatically size-consistent and basis-set-free vibrational coupled-cluster (XVCC) theory for both zero-point energies and transition frequencies of a molecule, the latter through the equation-of-motion (EOM) formalism, is defined for an nth-order Taylor-series potential energy surface (PES). Quantum-field-theoretical tools (the rules of normal-ordered second quantization and Feynman-Goldstone diagrams) for deriving their working equations are established. The equations of XVCC and EOM-XVCC including up to the mth-order excitation operators are derived and implemented with the aid of computer algebra in the range of 1 ≤ m ≤ 8. Algorithm optimizations known as strength reduction, intermediate reuse, and factorization are carried out before code generation, reducing the cost scaling of the mth-order XVCC and EOM-XVCC in an nth-order Taylor-series PES (m ≥ n) to the optimal value of O(N(m+⌊n/2⌋)), where N is the number of modes. The calculated zero-point energies and frequencies of fundamentals, overtones, and combinations as well as Fermi-resonant modes display rapid and nearly monotonic convergence with m towards the exact values for the PES. The theory with the same excitation rank as the truncation order of the Taylor-series PES (m = n) seems to strike the best cost-accuracy balance, achieving the accuracy of a few tenths of cm(-1) for transitions involving (m - 3) modes and of a few cm(-1) for those involving (m - 2) modes. The relationships between XVCC and the vibrational coupled-cluster theories of Prasad and coworkers and of Christiansen and coworkers as well as the size-extensive vibrational self-consistent-field and many-body perturbation theories are also elucidated.

  11. Thermodynamics and vibrational study of hydrogenated carbon nanotubes: A DFT study (United States)

    Khalil, Rana M. Arif; Hussain, Fayyaz; Rana, Anwar Manzoor; Imran, Muhammad


    Thermodynamic stability of the hydrogenated carbon nanotubes has been explored in the chemisorption limit. Statistical physics and density functional theory calculations have been used to predict hydrogen release temperatures at standard pressure in zigzag and armchair carbon nanotubes. It is found that hydrogen release temperatures decrease with increase in diameters of hydrogenated zigzag carbon nanotubes (CNTs) but opposite trend is noted in armchair CNTs at standard pressure of 1 bar. The smaller diameter hydrogenated zigzag CNTs have large values of hydrogen release temperature due to the stability of Csbnd H bonds. The vibrational density of states for hydrogenated carbon nanotubes have been calculated to confirm the Csbnd H stretching mode caused by sp3 hybridization.

  12. Thermodynamics in f(T Gravity with Nonminimal Coupling to Matter

    Directory of Open Access Journals (Sweden)

    Tahereh Azizi


    Full Text Available In the present paper, we study the thermodynamics behavior of the field equations for the generalized f(T gravity with arbitrary coupling between matter and the torsion scalar. In this regard, we explore the verification of the first law of thermodynamics at the apparent horizon of the Friedmann-Robertson-Walker universe in two different perspectives, namely, the nonequilibrium and equilibrium descriptions of thermodynamics. Furthermore, we investigate the validity of the second law of thermodynamics for both descriptions of this scenario with the assumption that the temperature of matter inside the horizon is similar to that of horizon.

  13. Optimization design of high power ultrasonic circular ring radiator in coupled vibration. (United States)

    Xu, Long; Lin, Shuyu; Hu, Wenxu


    This paper presents a new high power ultrasonic (HPU) radiator, which consists of a transducer, an ultrasonic horn, and a metal circular ring. Both the transducer and horn in longitudinal vibrations are used to drive a metal circular ring in a radial-axial coupled vibration. This coupled vibration cannot only generate ultrasound in both the radial and axial directions, but also focus the ultrasound inside the circular ring. Except for the radial-axial coupled vibration mode, the third longitudinal harmonic vibration mode with relative large vibration amplitude is also detected, which can be used as another operation mode. Overall, the HPU with these two vibration modes should have good potential to be applied in liquid processing, such as sonochemistry, ultrasonic cleaning, and Chinese herbal medicine extraction. Copyright © 2011 Elsevier B.V. All rights reserved.

  14. Thermodynamics of Horndeski black holes with non-minimal derivative coupling

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Yan-Gang [Nankai University, School of Physics, Tianjin (China); Max-Planck-Institut fuer Gravitationsphysik (Albert-Einstein-Institut), Potsdam (Germany); Xu, Zhen-Ming [Nankai University, School of Physics, Tianjin (China)


    We explore thermodynamic properties of a new class of Horndeski black holes whose action contains a non-minimal kinetic coupling of a massless real scalar and the Einstein tensor. Our treatment is based on the well-accepted consideration, where the cosmological constant is dealt with as thermodynamic pressure and the mass of black holes as thermodynamic enthalpy. We resort to a newly introduced intensive thermodynamic variable, i.e., the coupling strength of the scalar and tensor whose dimension is length square, and thus yield both the generalized first law of thermodynamics and the generalized Smarr relation. Our result indicates that this class of Horndeski black holes presents rich thermodynamic behaviors and critical phenomena. Especially in the case of the presence of an electric field, these black holes undergo two phase transitions. Once the charge parameter exceeds its critical value, or the cosmological parameter does not exceed its critical value, no phase transitions happen and the black holes are stable. As a by-product, we point out, the coupling strength acts as the thermodynamic pressure in thermodynamics. (orig.)

  15. Design of a Maglev Vibration Test Platform for the Research of Maglev Vehicle-girder Coupled Vibration Problem

    Directory of Open Access Journals (Sweden)

    Zhou Danfeng


    Full Text Available The maglev vehicle-girder coupled vibration problem has been encountered in many maglev test or commercial lines, which significantly degrade the performance of the maglev train. In previous research on the principle of the coupled vibration problem, it has been discovered that the fundamental model of the maglev girder can be simplified as a series of mass-spring resonators of different but related resonance frequencies, and that the stability of the vehicle-girder coupled system can be investigated by separately examining the stability of each mass-spring resonator – electromagnet coupled system. Based on this conclusion, a maglev test platform, which includes a single electromagnetic suspension control system, is built for experimental study of the coupled vibration problem. The guideway of the test platform is supported by a number of springs so as to change its flexibility. The mass of the guideway can also be changed by adjusting extra weights attached to it. By changing the flexibility and mass of the guideway, the rules of the maglev vehicle-girder coupled vibration problem are to be examined through experiments, and related theory on the vehicle-girder self-excited vibration proposed in previous research is also testified.

  16. Classical electricity analysis of the coupling mechanisms between admolecule vibrations and localized surface plasmons in STM for vibration detectability (United States)

    Inaoka, Takeshi; Uehara, Yoich


    The presence of a dynamic dipole moment in the gap between the tip of a scanning tunneling microscope (STM) and a substrate, both of which are made of metal, produces a large dynamic dipole moment via the creation of localized surface plasmons (LSPLs). With regard to the vibration-induced structures that have been experimentally observed in STM light emission spectra, we have incorporated the effect of the phonon vibrations of an admolecule below the STM tip into the local response theory, and we have evaluated the enhancement of the dynamic dipole involving phonon vibrations. Our analysis shows how effectively this vibration becomes coupled with the LSPLs. This was shown using three mechanisms that considered the vibrations of a dipole-active molecule and the vibrations of a charged molecule emitting and receiving tunneling electrons. In each of the mechanisms, phonon vibrations with angular frequency ωp shifted each LSPL resonance by ℏωp or by a multiple of ℏωp . The phonon effect was negligibly small when the position of the dipole-active molecule vibrated with ωp, but it was largest and most detectable when the point charge corresponding to the admolecule at the surface of the tip vibrated with ωp. It was found that a series of LSPL resonances with or without phonon-energy shifts can be characterized by a few dominant orders of multipole excitations, and these orders become higher as the resonance energy increases.

  17. Active Control of Parametric Vibrations in Coupled Rotor-Blade Systems

    DEFF Research Database (Denmark)

    Christensen, Rene Hardam; Santos, Ilmar


    In rotor-blade systems basis as well as parametric vibration modes will appear due to the vibration coupling among flexible rotating blades and hub rigid body motion. Parametric vibration will typically occur when the hub operates at a constant angular velocity. Operating at constant velocity...... the model becomes periodic-variant. In order to reduce basis as well as parametric vibrations by means of active control in such systems a time-variant control strategy has to be adopted. This paper presents a methodology for designing an active controller to reduce vibrations in a coupled rotor......-blade system. The main aim is to control blade as well as hub vibrations in such a system by means of active control with focus on reducing the parametric vibration. A periodic state feedback controller is designed by transforming the system into a linear time-invariant form. Using this a controller...

  18. Thermodynamics of scalar-tensor theory with non-minimally derivative coupling

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Yumei [Beijing Normal University, Department of Astronomy, Beijing (China); Gong, Yungui [Huazhong University of Science and Technology, MOE Key Laboratory of Fundamental Quantities Measurement, School of Physics, Wuhan, Hubei (China); Liang, Dicong; Yi, Zhu [Huazhong University of Science and Technology, School of Physics, Wuhan, Hubei (China)


    With the usual definitions for the entropy and the temperature associated with the apparent horizon, we show that the unified first law on the apparent horizon is equivalent to the Friedmann equation for the scalar-tensor theory with non-minimally derivative coupling. The second law of thermodynamics on the apparent horizon is also satisfied. The results support a deep and fundamental connection between gravitation, thermodynamics, and quantum theory. (orig.)

  19. Thermodynamics

    CERN Document Server

    Fermi, Enrico


    Indisputably, this is a modern classic of science. Based on a course of lectures delivered by the author at Columbia University, the text is elementary in treatment and remarkable for its clarity and organization. Although it is assumed that the reader is familiar with the fundamental facts of thermometry and calorimetry, no advanced mathematics beyond calculus is assumed.Partial contents: thermodynamic systems, the first law of thermodynamics (application, adiabatic transformations), the second law of thermodynamics (Carnot cycle, absolute thermodynamic temperature, thermal engines), the entr

  20. Coupling between chemical kinetics and mechanics that is both nonlinear and compatible with thermodynamics. (United States)

    Klika, Václav; Grmela, Miroslav


    Motivated by biological applications (e.g., bone tissue development and regeneration) we investigate coupling between mesoscopic mechanics and chemical kinetics. Governing equations of both dynamical systems are first written in a form expressing manifestly their compatibility with microscopic mechanics and thermodynamics. The same form is then required from governing equations of the coupled dynamics. The main result of the paper is an admissible form of the coupled dynamics.

  1. Fluid lipid bilayers: Intermonolayer coupling and its thermodynamic manifestations

    DEFF Research Database (Denmark)

    Hansen, Per Lyngs; Miao, Ling; Ipsen, John Hjorth


    possesses "in-plane" degrees of freedom that characterize its physical or chemical state. Thermally excitable deformations of a Lipid bilayer in its geometrical conformation further impart to it ''out-of-plane'' degrees of freedom. In this paper we discuss the issue of intermonolayer coupling in terms...... of a phenomenological model that describes the necessary types of degrees of freedom and their interplay, which reflects different modes of intermonolayer coupling. Furthermore, we investigate! based on the phenomenological model, the manifestations of the intermonolayer coupling both in the lateral ordering processes...... of the "in-plane" degrees of freedom and in the conformational behavior of the bilayer membrane....

  2. Vibrational absorption spectra from vibrational coupled cluster damped linear response functions calculated using an asymmetric Lanczos algorithm

    DEFF Research Database (Denmark)

    Thomsen, Bo; Hansen, Mikkel Bo; Seidler, Peter


    We report the theory and implementation of vibrational coupled cluster (VCC) damped response functions. From the imaginary part of the damped VCC response function the absorption as function of frequency can be obtained, requiring formally the solution of the now complex VCC response equations. T...

  3. New insights for mesospheric OH: multi-quantum vibrational relaxation as a driver for non-local thermodynamic equilibrium

    Directory of Open Access Journals (Sweden)

    K. S. Kalogerakis


    Full Text Available The question of whether mesospheric OH(v rotational population distributions are in equilibrium with the local kinetic temperature has been debated over several decades. Despite several indications for the existence of non-equilibrium effects, the general consensus has been that emissions originating from low rotational levels are thermalized. Sky spectra simultaneously observing several vibrational levels demonstrated reproducible trends in the extracted OH(v rotational temperatures as a function of vibrational excitation. Laboratory experiments provided information on rotational energy transfer and direct evidence for fast multi-quantum OH(high-v vibrational relaxation by O atoms. We examine the relationship of the new relaxation pathways with the behavior exhibited by OH(v rotational population distributions. Rapid OH(high-v + O multi-quantum vibrational relaxation connects high and low vibrational levels and enhances the hot tail of the OH(low-v rotational distributions. The effective rotational temperatures of mesospheric OH(v are found to deviate from local thermodynamic equilibrium for all observed vibrational levels. Dedicated to Tom G. Slanger in celebration of his 5 decades of research in aeronomy.

  4. Piezoelectric Tailoring with Enhanced Electromechanical Coupling for Concurrent Vibration Control of Mistuned Periodic Structures

    National Research Council Canada - National Science Library

    Wang, Kon-Well


    The objective of this research is to advance the state of the art of vibration control of mistuned periodic structures utilizing the electromechanical coupling and damping characteristics of piezoelectric networking...

  5. Experimental measurements and finite element analysis of the coupled vibrational characteristics of piezoelectric shells. (United States)

    Huang, Yu-Hsi; Ma, Chien-Ching


    Piezoelectric plates can provide low-frequency transverse vibrational displacements and high-frequency planar vibrational displacements, which are usually uncoupled. However, piezoelectric shells can induce three-dimensional coupled vibrational displacements over a large frequency range. In this study, three-dimensional coupled vibrational characteristics of piezoelectric shells with free boundary conditions are investigated using three different experimental methods and finite element numerical modeling. For the experimental measurements, amplitude-fluctuation electronic speckle pattern interferometry (AF-ESPI) is used to obtain resonant frequencies and radial, lateral, and angular mode shapes. This optical technique utilizes a real-time, full-field, non-contact optical system that measures both the natural frequency and corresponding vibration mode shape simultaneously. The second experimental technique used, laser Doppler vibrometry (LDV), is a pointwise displacement measurement method that determines the resonant frequencies of the piezoelectric shell. An impedance analyzer is also used to determine the resonant frequencies of the piezoelectric shell. The experimental results of the resonant frequencies and mode shapes for the piezoelectric shell are verified with a numerical finite element model. Excellent agreement between the experimental and numerical results is found for the three-dimensional coupled vibrational characteristics of the piezoelectric shell. It is noted in this study that there is no coupled phenomenon at low frequencies over which radial modes dominate. However, three-dimensional coupled vibrational modes do occur at high resonant frequencies over which lateral or angular modes dominate.

  6. Phase diagrams, thermodynamic properties and sound velocities derived from a multiple Einstein method using vibrational densities of states : an application to MgO–SiO2

    NARCIS (Netherlands)

    Jacobs, Michael H G; Schmid-Fetzer, Rainer; van den Berg, Arie P.


    In a previous paper, we showed a technique that simplifies Kieffer’s lattice vibrational method by representing the vibrational density of states with multiple Einstein frequencies. Here, we show that this technique can be applied to construct a thermodynamic database that accurately represents

  7. Modelling of Mechanical Coupling for Piezoelectric Energy Harvester Adapted to Low-Frequency Vibration (United States)

    Untoro, T.; Viridi, S.; Suprijanto; Ekawati, E.


    In our previous work, we have developed a mechanical coupling for energy harvester from vibration source. This energy harvester uses piezoelectric with additional cantilever beam and permanent magnets. Our work proposed alternative scheme of mechanical coupling for tune the vibration input into resonant frequency of piezoelectric. Based on the experiment, correlation between the length of cantilever beam and the output power also evaluated. In this paper, we try to modelling our work into mathematical model and apply it to some case study. For example application, we apply our energy harvester system to generate electrical energy to enlighten the street. The human footsteps can be used as vibration source to generate electrical energy.

  8. On the accuracy of the noninteracting electron approximation for vibrationally coupled electron transport

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Haobin, E-mail: [Department of Chemistry, University of Colorado Denver, Denver, CO 80217-3364 (United States); Thoss, Michael [Institut für Theoretische Physik und Interdisziplinäres Zentrum für Molekulare Materialien, Friedrich-Alexander-Universität Erlangen-Nürnberg, Staudtstr. 7/B2, D-91058 (Germany)


    The accuracy of the noninteracting electron approximation is examined for a model of vibrationally coupled electron transport in single molecule junction. In the absence of electronic-vibrational coupling, steady state transport in this model is described exactly by Landauer theory. Including coupling, both electronic-vibrational and vibrationally induced electron–electron correlation effects may contribute to the real time quantum dynamics. Using the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) theory to describe nuclear dynamics exactly while maintaining the noninteracting electron approximation for the electronic dynamics, the correlation effects are analyzed in different physical regimes. It is shown that although the noninteracting electron approximation may be reasonable for describing short time dynamics, it does not give the correct long time limit for certain initial conditions.

  9. An electromechanical coupling model of a bending vibration type piezoelectric ultrasonic transducer. (United States)

    Zhang, Qiang; Shi, Shengjun; Chen, Weishan


    An electromechanical coupling model of a bending vibration type piezoelectric ultrasonic transducer is proposed. The transducer is a Langevin type transducer which is composed of an exponential horn, four groups of PZT ceramics and a back beam. The exponential horn can focus the vibration energy, and can enlarge vibration amplitude and velocity efficiently. A bending vibration model of the transducer is first constructed, and subsequently an electromechanical coupling model is constructed based on the vibration model. In order to obtain the most suitable excitation position of the PZT ceramics, the effective electromechanical coupling coefficient is optimized by means of the quadratic interpolation method. When the effective electromechanical coupling coefficient reaches the peak value of 42.59%, the optimal excitation position (L1=22.52 mm) is found. The FEM method and the experimental method are used to validate the developed analytical model. Two groups of the FEM model (the Group A center bolt is not considered, and but the Group B center bolt is considered) are constructed and separately compared with the analytical model and the experimental model. Four prototype transducers around the peak value are fabricated and tested to validate the analytical model. A scanning laser Doppler vibrometer is employed to test the bending vibration shape and resonance frequency. Finally, the electromechanical coupling coefficient is tested indirectly through an impedance analyzer. Comparisons of the analytical results, FEM results and experiment results are presented, and the results show good agreement. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Relaxation dynamics and coherent energy exchange in coupled vibration-cavity polaritons (Conference Presentation) (United States)

    Simpkins, Blake S.; Fears, Kenan P.; Dressick, Walter J.; Dunkelberger, Adam D.; Spann, Bryan T.; Owrutsky, Jeffrey C.


    Coherent coupling between an optical transition and confined optical mode have been investigated for electronic-state transitions, however, only very recently have vibrational transitions been considered. Here, we demonstrate both static and dynamic results for vibrational bands strongly coupled to optical cavities. We experimentally and numerically describe strong coupling between a Fabry-Pérot cavity and carbonyl stretch ( 1730 cm 1) in poly-methylmethacrylate and provide evidence that the mixed-states are immune to inhomogeneous broadening. We investigate strong and weak coupling regimes through examination of cavities loaded with varying concentrations of a urethane monomer. Rabi splittings are in excellent agreement with an analytical description using no fitting parameters. Ultrafast pump-probe measurements reveal transient absorption signals over a frequency range well-separated from the vibrational band, as well as drastically modified relaxation rates. We speculate these modified kinetics are a consequence of the energy proximity between the vibration-cavity polariton modes and excited state transitions and that polaritons offer an alternative relaxation path for vibrational excitations. Varying the polariton energies by angle-tuning yields transient results consistent with this hypothesis. Furthermore, Rabi oscillations, or quantum beats, are observed at early times and we see evidence that these coherent vibration-cavity polariton excitations impact excited state population through cavity losses. Together, these results indicate that cavity coupling may be used to influence both excitation and relaxation rates of vibrations. Opening the field of polaritonic coupling to vibrational species promises to be a rich arena amenable to a wide variety of infrared-active bonds that can be studied in steady state and dynamically.

  11. First and Second Law of Thermodynamics at Strong Coupling. (United States)

    Seifert, Udo


    For a small driven system coupled strongly to a heat bath, internal energy and exchanged heat are identified such that they obey the usual additive form of the first law. By identifying this exchanged heat with the entropy change of the bath, the total entropy production is shown to obey an integral fluctuation theorem on the trajectory level implying the second law in the form of a Clausius inequalilty on the ensemble level. In this Hamiltonian approach, the assumption of an initially uncorrelated state is not required. The conditions under which the proposed identification of heat is unique and experimentally accessible are clarified.

  12. Analysis on Coupled Vibration of a Radially Polarized Piezoelectric Cylindrical Transducer. (United States)

    Xu, Jie; Lin, Shuyu; Ma, Yan; Tang, Yifan


    Coupled vibration of a radially polarized piezoelectric cylindrical transducer is analyzed with the mechanical coupling coefficient method. The method has been utilized to analyze the metal cylindrical transducer and the axially polarized piezoelectric cylindrical transducer. In this method, the mechanical coupling coefficient is introduced and defined as the stress ratio in different directions. Coupled vibration of the cylindrical transducer is regarded as the interaction of the plane radial vibration of a ring and the longitudinal vibration of a tube. For the radially polarized piezoelectric cylindrical transducer, the radial and longitudinal electric admittances as functions of mechanical coupling coefficients and angular frequencies are derived, respectively. The resonance frequency equations are obtained. The dependence of resonance frequency and mechanical coupling coefficient on aspect ratio is studied. Vibrational distributions on the surfaces of the cylindrical transducer are presented with experimental measurement. On the support of experiments, this work is verified and provides a theoretical foundation for the analysis and design of the radially polarized piezoelectric cylindrical transducer.

  13. SOPPA and CCSD vibrational corrections to NMR indirect spin-spin coupling constants of small hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Faber, Rasmus; Sauer, Stephan P. A. [Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø (Denmark)


    We present zero-point vibrational corrections to the indirect nuclear spin-spin coupling constants in ethyne, ethene, cyclopropene and allene. The calculations have been carried out both at the level of the second order polarization propagator approximation (SOPPA) employing a new implementation in the DALTON program, at the density functional theory level with the B3LYP functional employing also the Dalton program and at the level of coupled cluster singles and doubles (CCSD) theory employing the implementation in the CFOUR program. Specialized coupling constant basis sets, aug-cc-pVTZ-J, have been employed in the calculations. We find that on average the SOPPA results for both the equilibrium geometry values and the zero-point vibrational corrections are in better agreement with the CCSD results than the corresponding B3LYP results. Furthermore we observed that the vibrational corrections are in the order of 5 Hz for the one-bond carbon-hydrogen couplings and about 1 Hz or smaller for the other couplings apart from the one-bond carbon-carbon coupling (11 Hz) and the two-bond carbon-hydrogen coupling (4 Hz) in ethyne. However, not for all couplings lead the inclusion of zero-point vibrational corrections to better agreement with experiment.

  14. Optimal ossicular site for maximal vibration transmissions to coupled transducers. (United States)

    Chung, Juyong; Song, Won Joon; Sim, Jae Hoon; Kim, Wandoo; Oh, Seung-Ha


    Totally implantable middle-ear prosthetic devices, such as the Esteem system (Envoy Medical Corporation), detect vibrational motion of the middle-ear ossicles rather than acoustic stimulation to the eardrum. This eliminates the need for a subcutaneous microphone, which is susceptible to interference by ambient noises. Study of the vibrational characteristics of the human ossicles provides valuable information for determining the site of maximum ossicular motion that would be optimal for attachment of the sensor portion of the prosthesis. In this study, vibrational responses at seven locations on the middle-ear ossicles (i.e., the malleus head, 4 different points on the incus body, middle of the incus long process, tip of the incus long process) in human temporal bones (n = 6) were measured using a laser Doppler vibrometer. The measurements were repeated after separating the incudostapedial joint (ISJ). Measured displacement at each location was normalized with the sound pressure level near the tympanic membrane (TM) for representation in the form of a displacement transfer function (DTF). The normalized squared sum of the DTFs (NSSDTF) was then calculated as a measure of vibration motion through a specific frequency range at the considered sites. The relatively large NSSDTF was observed at the sites on the superior part of the malleus head (MH), on the lateral part of the incus body (IBL), and on the superior part of the incus body near the incudomalleal joint (IBS1) for the frequency ranges of 1-4 kHz and 1-9 kHz, regardless of the condition of the ISJ. This indicates that maximum vibrational motion of the middle-ear is deliverable to the piezoelectric transducer of totally implantable devices through these sites. This article is part of a special issue entitled "MEMRO 2012". Copyright © 2013 Elsevier B.V. All rights reserved.

  15. Coupling between flexural modes in free vibration of single-walled carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Rumeng; Wang, Lifeng, E-mail: [State Key Laboratory of Mechanics and Control of Mechanical Structures, Nanjing University of Aeronautics and Astronautics, 210016 Nanjing (China)


    The nonlinear thermal vibration behavior of a single-walled carbon nanotube (SWCNT) is investigated by molecular dynamics simulation and a nonlinear, nonplanar beam model. Whirling motion with energy transfer between flexural motions is found in the free vibration of the SWCNT excited by the thermal motion of atoms where the geometric nonlinearity is significant. A nonlinear, nonplanar beam model considering the coupling in two vertical vibrational directions is presented to explain the whirling motion of the SWCNT. Energy in different vibrational modes is not equal even over a time scale of tens of nanoseconds, which is much larger than the period of fundamental natural vibration of the SWCNT at equilibrium state. The energy of different modes becomes equal when the time scale increases to the microsecond range.

  16. Coupling between flexural modes in free vibration of single-walled carbon nanotubes

    Directory of Open Access Journals (Sweden)

    Rumeng Liu


    Full Text Available The nonlinear thermal vibration behavior of a single-walled carbon nanotube (SWCNT is investigated by molecular dynamics simulation and a nonlinear, nonplanar beam model. Whirling motion with energy transfer between flexural motions is found in the free vibration of the SWCNT excited by the thermal motion of atoms where the geometric nonlinearity is significant. A nonlinear, nonplanar beam model considering the coupling in two vertical vibrational directions is presented to explain the whirling motion of the SWCNT. Energy in different vibrational modes is not equal even over a time scale of tens of nanoseconds, which is much larger than the period of fundamental natural vibration of the SWCNT at equilibrium state. The energy of different modes becomes equal when the time scale increases to the microsecond range.

  17. A formulation of rotor-airframe coupling for design analysis of vibrations of helicopter airframes (United States)

    Kvaternik, R. G.; Walton, W. C., Jr.


    A linear formulation of rotor airframe coupling intended for vibration analysis in airframe structural design is presented. The airframe is represented by a finite element analysis model; the rotor is represented by a general set of linear differential equations with periodic coefficients; and the connections between the rotor and airframe are specified through general linear equations of constraint. Coupling equations are applied to the rotor and airframe equations to produce one set of linear differential equations governing vibrations of the combined rotor airframe system. These equations are solved by the harmonic balance method for the system steady state vibrations. A feature of the solution process is the representation of the airframe in terms of forced responses calculated at the rotor harmonics of interest. A method based on matrix partitioning is worked out for quick recalculations of vibrations in design studies when only relatively few airframe members are varied. All relations are presented in forms suitable for direct computer implementation.

  18. Acoustic vibration modes and electron-lattice coupling in self-assembled silver nanocolumns. (United States)

    Burgin, J; Langot, P; Arbouet, A; Margueritat, J; Gonzalo, J; Afonso, C N; Vallée, F; Mlayah, A; Rossell, M D; Van Tendeloo, G


    Using ultrafast spectroscopy, we investigated electron-lattice coupling and acoustic vibrations in self-assembled silver nanocolumns embedded in an amorphous Al2O3 matrix. The measured electron-lattice energy exchange time is smaller in the nanocolumns than in bulk silver, with a value very close to that of isolated nanospheres with comparable surface to volume ratio. Two vibration modes were detected and ascribed to the breathing and extensional mode of the nanocolumns, in agreement with numerical simulations.

  19. Vibrationally mediated control of single-electron transmission in weakly coupled molecule-metal junctions

    DEFF Research Database (Denmark)

    Olsen, Thomas; Schiøtz, Jakob


    We propose a mechanism which allows one to control the transmission of single electrons through a molecular junction. The principle utilizes the emergence of transmission sidebands when molecular vibrational modes are coupled to the electronic state mediating the transmission. We will show that i....... As an example we perform a density-functional theory analysis of a benzene molecule between two Au(111) contacts and show that exciting a particular vibrational mode can give rise to transmission of a single electron....

  20. Nonequilibrium electron-vibration coupling and conductance fluctuations in a C-60 junction

    DEFF Research Database (Denmark)

    Ulstrup, Soren; Frederiksen, Thomas; Brandbyge, Mads


    displacement. Combined with a vibrational heating mechanism we construct a model from our results that explain the polarity-dependent two-level conductance fluctuations observed in recent scanning tunneling microscopy (STM) experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings highlight...... the significance of nonequilibrium effects in chemical bond formation/breaking and in electron-vibration coupling in molecular electronics....

  1. Agglomeration of powders with a new-coupled vibration-compaction device (United States)

    Serris, Eric; Desplat, Olivier; Valfort, Olivier; Grosseau, Phillipe


    Inorganic powder recycling should be a crucial process for the "smart factories" in the future. A complex three-phase system (bauxite mixed with ordinary Portland cement and water) with a new-coupled vibration-compaction device is studied. The compressive stress of compacts seems to be improved by using this device at low compaction pressure leaving the other characteristics unchanged. The tomographic study of macroscopic porosities shows differences in the pores repartitions inside vibrated and untreated compacts. Classic porosity repartition is shown in the classic compacted bauxite compacts whereas in the vibrated-compacted bauxite exhibits inhomogeneities. Despite this, we find these results quite promising for further investigations.

  2. 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)


    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.

  3. Tensor-decomposed vibrational coupled-cluster theory: Enabling large-scale, highly accurate vibrational-structure calculations. (United States)

    Madsen, Niels Kristian; Godtliebsen, Ian H; Losilla, Sergio A; Christiansen, Ove


    A new implementation of vibrational coupled-cluster (VCC) theory is presented, where all amplitude tensors are represented in the canonical polyadic (CP) format. The CP-VCC algorithm solves the non-linear VCC equations without ever constructing the amplitudes or error vectors in full dimension but still formally includes the full parameter space of the VCC[n] model in question resulting in the same vibrational energies as the conventional method. In a previous publication, we have described the non-linear-equation solver for CP-VCC calculations. In this work, we discuss the general algorithm for evaluating VCC error vectors in CP format including the rank-reduction methods used during the summation of the many terms in the VCC amplitude equations. Benchmark calculations for studying the computational scaling and memory usage of the CP-VCC algorithm are performed on a set of molecules including thiadiazole and an array of polycyclic aromatic hydrocarbons. The results show that the reduced scaling and memory requirements of the CP-VCC algorithm allows for performing high-order VCC calculations on systems with up to 66 vibrational modes (anthracene), which indeed are not possible using the conventional VCC method. This paves the way for obtaining highly accurate vibrational spectra and properties of larger molecules.

  4. Tensor-decomposed vibrational coupled-cluster theory: Enabling large-scale, highly accurate vibrational-structure calculations (United States)

    Madsen, Niels Kristian; Godtliebsen, Ian H.; Losilla, Sergio A.; Christiansen, Ove


    A new implementation of vibrational coupled-cluster (VCC) theory is presented, where all amplitude tensors are represented in the canonical polyadic (CP) format. The CP-VCC algorithm solves the non-linear VCC equations without ever constructing the amplitudes or error vectors in full dimension but still formally includes the full parameter space of the VCC[n] model in question resulting in the same vibrational energies as the conventional method. In a previous publication, we have described the non-linear-equation solver for CP-VCC calculations. In this work, we discuss the general algorithm for evaluating VCC error vectors in CP format including the rank-reduction methods used during the summation of the many terms in the VCC amplitude equations. Benchmark calculations for studying the computational scaling and memory usage of the CP-VCC algorithm are performed on a set of molecules including thiadiazole and an array of polycyclic aromatic hydrocarbons. The results show that the reduced scaling and memory requirements of the CP-VCC algorithm allows for performing high-order VCC calculations on systems with up to 66 vibrational modes (anthracene), which indeed are not possible using the conventional VCC method. This paves the way for obtaining highly accurate vibrational spectra and properties of larger molecules.

  5. SOPPA and CCSD vibrational corrections to NMR indirect spin-spin coupling constants of small hydrocarbons

    DEFF Research Database (Denmark)

    Faber, Rasmus; Sauer, Stephan P. A.


    We present zero-point vibrational corrections to the indirect nuclear spin-spin coupling constants in ethyne, ethene, cyclopropene and allene. The calculations have been carried out both at the level of the second order polarization propagator approximation (SOPPA) employing a new implementation...... in the DALTON program, at the density functional theory level with the B3LYP functional employing also the Dalton program and at the level of coupled cluster singles and doubles (CCSD) theory employing the implementation in the CFOUR program. Specialized coupling constant basis sets, aug-cc-pVTZ-J, have been...... employed in the calculations. We find that on average the SOPPA results for both the equilibrium geometry values and the zero-point vibrational corrections are in better agreement with the CCSD results than the corresponding B3LYP results. Furthermore we observed that the vibrational corrections...

  6. Space robots with flexible appendages: Dynamic modeling, coupling measurement, and vibration suppression (United States)

    Meng, Deshan; Wang, Xueqian; Xu, Wenfu; Liang, Bin


    For a space robot with flexible appendages, vibrations of flexible structure can be easily excited during both orbit and/or attitude maneuvers of the base and the operation of the manipulators. Hence, the pose (position and attitude) of the manipulator's end-effector will greatly deviate from the desired values, and furthermore, the motion of the manipulator will trigger and exacerbate vibrations of flexible appendages. Given lack of the atmospheric damping in orbit, the vibrations will last for quite a while and cause the on-orbital tasks to fail. We derived the rigid-flexible coupling dynamics of a space robot system with flexible appendages and established a coupling model between the flexible base and the space manipulator. A specific index was defined to measure the coupling degree between the flexible motion of the appendages and the rigid motion of the end-effector. Then, we analyzed the dynamic coupling for different conditions, such as modal displacements, joint angles (manipulator configuration), and mass properties. Moreover, the coupling map was adopted and drawn to represent the coupling motion. Based on this map, a trajectory planning method was addressed to suppress structure vibration. Finally, simulation studies of typical cases were performed, which verified the proposed models and method. This work provides a theoretic basis for the system design, performance evaluation, trajectory planning, and control of such space robots.

  7. Characterisation of the human-seat coupling in response to vibration. (United States)

    Kim, Eunyeong; Fard, Mohammad; Kato, Kazuhito


    Characterising the coupling between the occupant and vehicle seat is necessary to understand the transmission of vehicle seat vibration to the human body. In this study, the vibration characteristics of the human body coupled with a vehicle seat were identified in frequencies up to 100 Hz. Transmissibilities of three volunteers seated on two different vehicle seats were measured under multi-axial random vibration excitation. The results revealed that the human-seat system vibration was dominated by the human body and foam below 10 Hz. Major coupling between the human body and the vehicle seat-structure was observed in the frequency range of 10-60 Hz. There was local coupling of the system dominated by local resonances of seat frame and seat surface above 60 Hz. Moreover, the transmissibility measured on the seat surface between the human and seat foam is suggested to be a good method of capturing human-seat system resonances rather than that measured on the human body in high frequencies above 10 Hz.Practitioner Summary: The coupling characteristics of the combined human body and vehicle seat system has not yet been fully understood in frequencies of 0.5-100 Hz. This study shows the human-seat system has distinctive dynamic coupling characteristics in three different frequency regions: below 10 Hz, 10-60 Hz, and above 60 Hz.

  8. Role of zero-point vibrational corrections to carbon hyperfine coupling constants in organic π radicals. (United States)

    Chen, X; Rinkevicius, Z; Ruud, K; Ågren, H


    By analyzing a set of organic π radicals, we demonstrate that zero-point vibrational corrections give significant contributions to carbon hyperfine coupling constants, in one case even inducing a sign reversal for the coupling constant. We discuss the implications of these findings for the computational analysis of electron paramagnetic spectra based on hyperfine coupling constants evaluated at the equilibrium geometry of radicals. In particular, we note that a dynamical description that involves the nuclear motion is in many cases necessary in order to achieve a semi-quantitatively predictive theory for carbon hyperfine coupling constants. In addition, we discuss the implications of the strong dependence of the carbon hyperfine coupling constants on the zero-point vibrational corrections for the selection of exchange-correlation functionals in density functional theory studies of these constants.

  9. Thermodynamic and solidification modeling coupled with experimental investigation of the multicomponent aluminum alloys (United States)

    Yan, Xinyan


    In order to obtain a thermodynamic description for the Al-Cu-Mg-Si quaternary system, three constituent binary systems, Al-Si, Cu-Si and Mg-Si, are first modeled based on the available experimental data, and the thermodynamic models used to describe the phases in the binary systems are presented. The calculated binary phase diagrams and the thermodynamic properties are in good agreement with the experimental data. Three constituent ternary systems, Al-Cu-Si, Al-Mg-Si and Cu-Mg-Si, are then modeled based on experimental data available in the literature. A thermodynamic description of the Al-Cu-Mg-Si system has been developed based on the established descriptions of its constituent binaries and ternaries as well as using data relating to the quaternary intermetallic compound Q-Al5Cu2Mg8Si6. The calculated quaternary phase diagrams, including invariant equilibria, isopleths and isotherms are in accord with the experimental data available in the literature. The phase equilibria and thermodynamic properties of the Al-Cu-Mg-Si system can now be calculated from this thermodynamic description at any temperature and composition. A numerical microscopic model has been developed in the present study for the prediction of the microstructure and microsegregation in multicomponent alloys during dendritic solidification. This microscopic model is directly coupled with multicomponent phase diagram calculations using a user-friendly and robust phase diagram calculation engine-PANENGINE. Solid back diffusion, thermodynamic correction of the interface concentrations, undercooling and dendrite arm coarsening effects are included in this model. The experimentally measured or calculated cooling curves are input into the model to carry out the microsegregation calculations. To validate the microscopic model and the Al-Cu-Mg-Si thermodynamic description, microstructures and microsegregations in a Al-4.5wt%Cu binary alloy, as well as Al-4.5wt%Cu-1wt%Si-0.5wt%Mg and Al-6.27wt%Cu-0.22wt%Si-0

  10. Coupling sample paths to the thermodynamic limit in Monte Carlo estimators with applications to gene expression (United States)

    Levien, Ethan; Bressloff, Paul C.


    Many biochemical systems appearing in applications have a multiscale structure so that they converge to piecewise deterministic Markov processes in a thermodynamic limit. The statistics of the piecewise deterministic process can be obtained much more efficiently than those of the exact process. We explore the possibility of coupling sample paths of the exact model to the piecewise deterministic process in order to reduce the variance of their difference. We then apply this coupling to reduce the computational complexity of a Monte Carlo estimator. Motivated by the rigorous results in [1], we show how this method can be applied to realistic biological models with nontrivial scalings.

  11. Synchronization of three homodromy coupled exciters in a non-resonant vibrating system of plane motion (United States)

    Zhang, Xue-Liang; Wen, Bang-Chun; Zhao, Chun-Yu


    In this paper, the synchronization problem of three homodromy coupled exciters in a non-resonant vibrating system of plane motion is studied. By introducing the average method of modified small parameters, we deduced dimensionless coupling equation of three exciters, which converted the problem of synchronization into that of the existence and stability of zero solutions for the average differential equations of the small parameters. Based on the dimensionless coupling torques and characteristics of the corresponding limited functions, the synchronization criterion for three exciters was derived as the absolute value of dimensionless residual torque difference between arbitrary two motors being less than the maximum of their dimensionless coupling torques. The stability criterion of its synchronous state lies in the double-condition that the inertia coupling matrix is positive definite and all its elements are positive as well. The synchronization determinants are the coefficients of synchronization ability, also called as the general dynamical symmetry coefficients. The double-equilibrium state of the vibrating system is manifested by numeric method, and the numeric and simulation results derived thereof indicate the indispensable and crucial role the structural parameters of the vibrating system play in the stability criterion of synchronous operation. Besides, by adjusting its structural parameters, the elliptical motion of the vibrating system successfully met the requirements in engineering applications.

  12. Large-voltage behavior of charge transport characteristics in nanosystems with weak electron–vibration coupling

    Directory of Open Access Journals (Sweden)

    Tomáš Novotný


    Full Text Available We study analytically the Full Counting Statistics of the charge transport through a nanosystem consisting of a few electronic levels weakly coupled to a discrete vibrational mode. In the limit of large transport voltage bias the cumulant generating function can be evaluated explicitly based solely on the intuitive physical arguments and classical master equation description of the vibration mode. We find that for the undamped vibrational modes mutual dynamical interplay between electronic and vibronic degrees of freedom leads to strongly nonlinear (in voltage transport characteristics of the nanosystem. In particular, we find that for large voltages the k-th cumulant of the current grows as V2k to be contrasted with the linear dependence in case of more strongly externally damped and thus thermalized vibrational modes.

  13. Self-excited vibration of the shell-liquid coupled system induced by dry friction (United States)

    Xijun, Liu; Dajun, Wang; Yushu, Chen


    The nonlinear vibration theory and the experimental modal analysis are used in this paper to study the self-excited vibration of the shell-liquid coupled system induced by dry friction. The effect of dry friction stick-slip coefficients and rubbing velocity on self-excited vibration, and the limit cycle and Hopf bifurcation solution of the system are obtained. In particular, it is shown that the phenomenon of 4 point (or 6 point) water droplet spurting of the Chinese cultural relic Dragon Washbasin is the result of the perfect combination of the self-excited vibration induced by dry friction and its special modes, which indicates the significant scientific value of the Chinese cultural relic Dragon Washbasin.

  14. Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion

    Energy Technology Data Exchange (ETDEWEB)

    Albert, Julian; Falge, Mirjam; Hildenbrand, Heiko; Engel, Volker [Universität Würzburg, Institut für Physikalische und Theoretische Chemie, Emil-Fischer-Str. 42, Campus Nord, Am Hubland, 97074 Würzburg (Germany); Gomez, Sandra; Sola, Ignacio R. [Departamento de Quimica Fisica, Universidad Complutense, 28040 Madrid (Spain)


    We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

  15. A quantum model for bending vibrations and thermodynamic properties of C3. (United States)

    Hansen, C. F.; Pearson, W. E.


    The investigation reported was conducted to clarify the thermodynamic properties of C3 by further developing the limit to the partition function suggested by Strauss and Thiele (1967). A quantum solution for the energy levels of a quadratically perturbed square well potential is presented and the consistency of this limit with observed energy levels is established. In the process a more complete physical picture of the bending C3 molecules emerges. The values of entropy deduced from various measurements of graphite pressure are compared with this limit, and the thermodynamic properties predicted for the limiting case are evaluated.

  16. Both Inter- and Intramolecular Coupling of O-H Groups Determine the Vibrational Response of the Water/Air Interface

    CERN Document Server

    Schaefer, Jan; Nagata, Yuki; Bonn, Mischa


    Vibrational coupling is relevant not only for dissipation of excess energy after chemical reactions but also for elucidating molecular structure and dynamics. It is particularly important for OH stretch vibrational spectra of water, for which it is known that in bulk both intra- and intermolecular coupling alter the intensity and line shape of the spectra. In contrast with bulk, the unified picture of the inter/intra-molecular coupling of OH groups at the water-air interface has been lacking. Here, combining sum-frequency generation experiments and simulation for isotopically diluted water and alcohols, we unveil effects of inter- and intramolecular coupling on the vibrational spectra of interfacial water. Our results show that both inter- and intramolecular coupling contribute to the OH stretch vibrational response of the neat H2O surface, with intramolecular coupling generating a double-peak feature, while the intermolecular coupling induces a significant red shift in the OH stretch response.

  17. Equilibrium Statistical Thermodynamics of a Many-Particle System Coupled to an External Scalar Field (United States)

    Salvino, R. E.


    The equilibrium thermodynamics of a many-particle assembly in the presence of an external scalar field is examined. Two types of scalar coupling are considered: an external field coupled to the particle density and an external scalar field coupled to the energy density. It is shown that the broken translational and rotational invariance of the system due to the external field is reflected in the macroscopic physics by loss of the usual extensivity property of the system and by means of anisotropy in the response of the system to changes in the system lengths or to the system shape. In addition, the assumptions used in local equilibrium analyses are shown to be incorrect in principle. Nonlocal effects due to the external field must be included in the determination of the equation of state. Simple model calculations for a system in an external gravitational field and an externally imposed temperature field are presented as illustrations.

  18. The rate parameters for coupled vibration-dissociation in a generalized SSH approximation. [Schwarz, Slawsky, and Herzfeld (United States)

    Sharma, Surendra P.; Huo, Winifred M.; Park, Chul


    A theoretical study of vibrational excitations and dissociations of nitrogen undergoing a nonequilibrium relaxation process upon heating and cooling is reported. The rate coefficients for collisional induced vibrational transitions and transitions from a bound vibrational state into a dissociative state have been calculated using an extension of the theory originally proposed by Schwarz (SSH) et al. (1952). High-lying vibrational states and dissociative states were explicitly included but rotational energy transfer was neglected. The transition probabilities calculated from the SSH theory were fed into the master equation, which was integrated numerically to determine the population distribution of the vibrational states as well as bulk thermodynamic properties. The results show that: (1) the transition rates have a minimum near the middle of the bound vibrational levels, causing a bottleneck in the vibrational relaxation and dissociation rates; (2) high vibrational states are always in equilibrium with the dissociative state; (3) for the heating case, only the low vibrational states relax according to the Landau-Teller theory; (4) for the cooling case, vibrational relaxation cannot be described by a rate equation; (5) Park's (1985, 1988) two-temperature model is approximately valid; and (6) the average vibrational energy removed in dissociation is about 30 percent of the dissociation energy.

  19. Vibration analysis of multi-span beam system under arbitrary boundary and coupling conditions

    Directory of Open Access Journals (Sweden)

    ZHENG Chaofan


    Full Text Available In order to overcome the difficulties of studying the vibration analysis model of a multi-span beam system under various boundary and coupling conditions, this paper constructs a free vibration analysis model of a multi-span beam system on the basis of the Bernoulli-Euler beam theory. The vibration characteristics of a multi-span beam system under arbitrary boundary supports and elastic coupling conditions are investigated using the current analysis model. Unlike most existing techniques, the beam displacement function is generally sought as an improved Fourier cosine series, and four sine terms are introduced to overcome all the relevant discontinuities or jumps of elastic boundary conditions. On this basis, the unknown series coefficients of the displacement function are treated as the generalized coordinates and solved using the Rayleigh-Ritz method, and the vibration problem of multi-span bean systems is converted into a standard eigenvalue problem concerning the unknown displacement expansion coefficient. By comparing the free vibration characteristics of the proposed method with those of the FEA method, the efficiency and accuracy of the present method are validated, providing a reliable and theoretical basis for multi-span beam system structure in engineering applications.

  20. Optimization of Vibration Reduction Ability of Ladder Tracks by FEM Coupled with ACO

    Directory of Open Access Journals (Sweden)

    Hao Jin


    Full Text Available Ladder track, which has drawn increased attention in scientific communities, is an effective method for reducing vibrations from underground railways. In order to optimize the vibration reduction ability of ladder track, a new method, that is, the finite element method (FEM coupled with ant colony optimization (ACO, has been proposed in this paper. We describe how to build the FEM model verified by the vibration tests in the Track Vibration Abatement and Control Laboratory and how to couple the FEM with ACO. The density and elasticity modulus of the sleeper pad are optimized using this method. After optimization, the vibration acceleration level of the supporting platform in the 1–200 Hz range was reduced from 102.8 dB to 94.4 dB. The optimized density of the sleeper pad is 620 kg/m3, and the optimized elasticity modulus of the sleeper pad is 6.25 × 106 N/m2.

  1. Vibrational kinetics in Cl2 and O2 low-pressure inductively-coupled plasmas (United States)

    Booth, Jean-Paul; Foucher, Mickael; Marinov, Daniil; Chabert, Pascal; Annusova, Anna; Guerra, Vasco; Agarwal, Ankur; Rauf, Shahid


    Low energy electron interactions with molecules via resonances can cause vibrational excitation (affecting chemical kinetics), electron energy loss and modification of the EEDF. However, with the exception of N2 and H2 plasmas, very little attention has been paid to this subject. We have implemented a novel high-sensitivity ultra-broadband UV absorption bench, allowing spectra to be recorded with noise as low as 2×10-5 over a 250 nm wavelength range, and recording of complete vibronic bands. We applied this to radiofrequency inductively-coupled plasmas in low pressure (5-50 mTorr) pure O2 and pure Cl2. In O2 plasmas we surprisingly observe highly vibrationally excited O2 (v'' up to 18) via B-X Schumann-Runge bands. Cl2 molecules show a broad UV absorption spectrum in the region 250-400 nm, with distinctly different absorption spectra for vibrationally excited molecules. However, only a small fraction of the Cl2 molecules were observed in vibrationally excited states and the vibrational temperature is close to equilibrium with the local gas translational temperature (up to 1000 K), in contrast to O2. We are currently working on global models with vibrational kinetics to explain these results. Work supported by LABEX Plas@par (ANR-11-IDEX-0004-02), and Applied Materials.

  2. Mode coupling and multiquantum vibrational excitations in Feshbach-resonant positron annihilation in molecules (United States)

    Gribakin, G. F.; Stanton, J. F.; Danielson, J. R.; Natisin, M. R.; Surko, C. M.


    The dominant mechanism of low-energy positron annihilation in polyatomic molecules is through positron capture in vibrational Feshbach resonances (VFR). In this paper, we investigate theoretically the effect of anharmonic terms in the vibrational Hamiltonian on positron annihilation rates. Such interactions enable positron capture in VFRs associated with multiquantum vibrational excitations, leading to enhanced annihilation. Mode coupling can also lead to faster depopulation of VFRs, thereby reducing their contribution to the annihilation rates. To analyze this complex picture, we use coupled-cluster methods to calculate the anharmonic vibrational spectra and dipole transition amplitudes for chloroform, chloroform-d1, 1,1-dichloroethylene, and methanol, and use these data to compute positron resonant annihilation rates for these molecules. Theoretical predictions are compared with the annihilation rates measured as a function of incident positron energy. The results demonstrate the importance of mode coupling in both enhancement and suppression of the VFR. There is also experimental evidence for the direct excitation of multimode VFR. Their contribution is analyzed using a statistical approach, with an outlook towards more accurate treatment of this phenomenon.

  3. Gasification Coupled Chemical Looping Combustion of Coal: A Thermodynamic Process Design Study


    Borkhade, Sonali A.; Shriwas, Preksha A.; Ganesh R. Kale


    A thermodynamic investigation of gasification coupled chemical looping combustion (CLC) of carbon (coal) is presented in this paper. Both steam and CO2 are used for gasification within the temperature range of 500–1200°C. Chemical equilibrium model was considered for the gasifier and CLC fuel reactor. The trends in product compositions and energy requirements of the gasifier, fuel reactor, and air reactor were determined. Coal (carbon) gasification using 1.5 mol H2O and 1.5 mol CO2 per mole c...

  4. Exciton-vibrational coupling in the dynamics and spectroscopy of Frenkel excitons in molecular aggregates (United States)

    Schröter, M.; Ivanov, S. D.; Schulze, J.; Polyutov, S. P.; Yan, Y.; Pullerits, T.; Kühn, O.


    The influence of exciton-vibrational coupling on the optical and transport properties of molecular aggregates is an old problem that gained renewed interest in recent years. On the experimental side, various nonlinear spectroscopic techniques gave insight into the dynamics of systems as complex as photosynthetic antennae. Striking evidence was gathered that in these protein-pigment complexes quantum coherence is operative even at room temperature conditions. Investigations were triggered to understand the role of vibrational degrees of freedom, beyond that of a heat bath characterized by thermal fluctuations. This development was paralleled by theory, where efficient methods emerged, which could provide the proper frame to perform non-Markovian and non-perturbative simulations of exciton-vibrational dynamics and spectroscopy. This review summarizes the state of affairs of the theory of exciton-vibrational interaction in molecular aggregates and photosynthetic antenna complexes. The focus is put on the discussion of basic effects of exciton-vibrational interaction from the stationary and dynamics points of view. Here, the molecular dimer plays a prominent role as it permits a systematic investigation of absorption and emission spectra by numerical diagonalization of the exciton-vibrational Hamiltonian in a truncated Hilbert space. An extension to larger aggregates, having many coupled nuclear degrees of freedom, becomes possible with the Multi-Layer Multi-Configuration Time-Dependent Hartree (ML-MCTDH) method for wave packet propagation. In fact it will be shown that this method allows one to approach the limit of almost continuous spectral densities, which is usually the realm of density matrix theory. Real system-bath situations are introduced for two models, which differ in the way strongly coupled nuclear coordinates are treated, as a part of the relevant system or the bath. A rather detailed exposition of the Hierarchy Equations Of Motion (HEOM) method will be

  5. Electron-Vibration Coupling in Molecular Materials: Assignment of Vibronic Modes from Photoelectron Momentum Mapping. (United States)

    Graus, M; Grimm, M; Metzger, C; Dauth, M; Tusche, C; Kirschner, J; Kümmel, S; Schöll, A; Reinert, F


    Electron-phonon coupling is one of the most fundamental effects in condensed matter physics. We here demonstrate that photoelectron momentum mapping can reveal and visualize the coupling between specific vibrational modes and electronic excitations. When imaging molecular orbitals with high energy resolution, the intensity patterns of photoelectrons of the vibronic sidebands of molecular states show characteristic changes due to the distortion of the molecular frame in the vibronically excited state. By comparison to simulations, an assignment of specific vibronic modes is possible, thus providing unique information on the coupling between electronic and vibronic excitation.

  6. Thermodynamics of dipolar hard spheres with low-to-intermediate coupling constants. (United States)

    Elfimova, Ekaterina A; Ivanov, Alexey O; Camp, Philip J


    The thermodynamic properties of the dipolar hard-sphere fluid are studied using theory and simulation. A new theory is derived using a convenient mathematical approximation for the Helmholtz free energy relative to that for the hard-sphere fluid. The approximation is designed to give the correct low-density virial expansion. New theoretical and numerical results for the fourth virial coefficient are given. Predictions of thermodynamic functions for dipolar coupling constants λ=1 and 2 show excellent agreement with simulation results, even at the highest value of the particle volume fraction φ. For higher values of λ, there are deviations at high volume fractions, but the correct low-density behavior is retained. The theory is compared critically against the established thermodynamic perturbation theory; it gives significant improvements at low densities and is more convenient in terms of the required numerics. Dipolar hard spheres provide a basic model for ferrofluids, and the theory is accurate for typical experimental parameters λ

  7. Thermodynamic and structural properties of strongly coupled plasma mixtures from the perturbative HNC-equation

    Energy Technology Data Exchange (ETDEWEB)

    Kang, H.S.; Ree, F.H.


    Recently, we developed the perturbative hypernetted-chain (PHNC) integral equation which can predict reliable thermodynamic and structural data for a system of particles interacting with either short range or long range (Coulomb) potential. The present work extends this earlier work to mixtures. This is done by employing a reference potential which is designed to satisfy a thermodynamic consistency on the isothermal compressibility as described in the next section. We test the present theory in Sec. III by applying it to plasma mixtures interacing with either an unscreened or a screened Coulomb potential. We made comparisons of results from the present theory with those from the best available theory, i.e., Rosenfeld`s density functional theory (DFT). The DFT was shown to give internal energy with three to five fignre accuracy compared to a wide range of Monte Carlo data. Meanwhile, small deviations of excess internal energy from the so-called ``liner mixing rule`` (LMR) are better predicted by a less sophiscated theory like the hypernetted- chain (HNC) equation. This rule relates thermodynamics of an unscreened mixture to those for individual components in a strongly coupled regime where the potential energy of a constituent particle is much larger than its kinetic energy. We also apply the present theory to a H{sub 2} + H mixture interacting with Morse potentials. For this sytem, comparison of thermodynamic properties and radial distribution functions from the present theory will be made with those from another successful theory of dense fluid, i.e., the HMSA equation of Zerah and Hansen.

  8. Agglomeration of powders with a new-coupled vibration-compaction device

    Directory of Open Access Journals (Sweden)

    Serris Eric


    Full Text Available Inorganic powder recycling should be a crucial process for the “smart factories” in the future. A complex three-phase system (bauxite mixed with ordinary Portland cement and water with a new-coupled vibration-compaction device is studied. The compressive stress of compacts seems to be improved by using this device at low compaction pressure leaving the other characteristics unchanged. The tomographic study of macroscopic porosities shows differences in the pores repartitions inside vibrated and untreated compacts. Classic porosity repartition is shown in the classic compacted bauxite compacts whereas in the vibrated-compacted bauxite exhibits inhomogeneities. Despite this, we find these results quite promising for further investigations.

  9. Reduced Near-Resonant Vibrational Coupling at the Surfaces of Liquid Water and Ice. (United States)

    Smit, Wilbert J; Versluis, Jan; Backus, Ellen H G; Bonn, Mischa; Bakker, Huib J


    We study the resonant interaction of the OH stretch vibrations of water molecules at the surfaces of liquid water and ice using heterodyne-detected sum-frequency generation (HD-SFG) spectroscopy. By studying different isotopic mixtures of H 2 O and D 2 O, we vary the strength of the interaction, and we monitor the resulting effect on the HD-SFG spectrum of the OH stretch vibrations. We observe that the near-resonant coupling effects are weaker at the surface than in the bulk, both for water and ice, indicating that for both phases of water the OH vibrations are less strongly delocalized at the surface than in the bulk.

  10. Correlation of AH-1G airframe flight vibration data with a coupled rotor-fuselage analysis (United States)

    Sangha, K.; Shamie, J.


    The formulation and features of the Rotor-Airframe Comprehensive Analysis Program (RACAP) is described. The analysis employs a frequency domain, transfer matrix approach for the blade structural model, a time domain wake or momentum theory aerodynamic model, and impedance matching for rotor-fuselage coupling. The analysis is applied to the AH-1G helicopter, and a correlation study is conducted on fuselage vibration predictions. The purpose of the study is to evaluate the state-of-the-art in helicopter fuselage vibration prediction technology. The fuselage vibration predicted using RACAP are fairly good in the vertical direction and somewhat deficient in the lateral/longitudinal directions. Some of these deficiencies are traced to the fuselage finite element model.

  11. Vibration suppression in a flexible gyroscopic system using modal coupling strategies

    Directory of Open Access Journals (Sweden)

    Sultan A. Q. Siddiqui


    Full Text Available Several recent studies have shown that vibrations in a two-degree-of-freedom system can be suppressed by using modal coupling based control techniques. This involves making the first two natural frequencies commensurable (e.g, in a ratio of 1:1 or 1:2 to establish a state of Internal Resonance (IR. When the system exhibits IR, vibrations in the two directions are strongly coupled resulting in a beat phenomenon. Upon introducing damping in one direction, oscillations in both directions can be quickly suppressed. In this paper we consider vibration suppression of a flexible two-degree-of-freedom gyroscopic system using 1:1 and 1:2 IR. The possibility of using 1:1 and 1:2 IR to enhance the coupling in the system is established analytically using the perturbation method of multiple scales. The results of IR based control strategy are compared with a new method, which is based on tuning the system parameters to make the mode shapes identical. Results indicate that this new technique is more efficient and easy to implement than IR based control strategies. Another advantage of this method is that there is no restriction on the frequencies as in the case of IR. Finally, a control torque is obtained which on application automatically tunes the system parameters to establish modal coupling.

  12. Numerical Approach of Coupling Vibration Magneto-convection In Nanofluid

    Directory of Open Access Journals (Sweden)

    K Syham


    Full Text Available The objective of our work is to visualize numerically the effect of coupling vibratory excitation and magnetic field on cooling an electronic component or a solar cell (originality of our study in arid and semi-arid area. A square cavity of side H filled with Al2O3-water nanofluid where an electronic component is placed on the bottom horizontal wall is maintained at isothermal hot temperature Th. The top horizontal wall is maintained at a cold temperature Tc. The vertical walls are adiabatic. The equations describing the natural convection flow in the square cavity consist of mass conservation, momentum and energy. For the physical parameters of Al2O3-water nanofluid, we use the Brinkman and Wasp model. Transport equations are solved numerically by finite element method. The results are obtained for Rayleigh number Ra= 105, Hartmann numbers between 0 and 100 and vibratory excitation inclination angle between 0° and 90°. The external magnetic field inclination angle varies between 0° and 90° and the Rayleigh number ratio between 0 and 50.  Results are presented in the form of heat transfer flux ratio and maximum absolute value of stream function.

  13. Mean-field approximation for thermodynamic and spectral functions of correlated electrons: Strong coupling and arbitrary band filling (United States)

    Janiš, Václav; Pokorný, Vladislav; Kauch, Anna


    We present a construction of a mean-field theory for thermodynamic and spectral properties of correlated electrons reliable in the strong-coupling limit. We introduce an effective interaction determined self-consistently from the reduced parquet equations. It is a static local approximation of the two-particle irreducible vertex, the kernel of a potentially singular Bethe-Salpeter equation. The effective interaction enters the Ward identity from which a thermodynamic self-energy, renormalizing the one-electron propagators, is determined. The dynamical Schwinger-Dyson equation with the thermodynamic propagators is then used to calculate the spectral properties. The thermodynamic and spectral properties of correlated electrons are in this way determined on the same footing and in a consistent manner. Such a mean-field approximation is analytically controllable and free of unphysical behavior and spurious phase transitions. We apply the construction to the asymmetric Anderson impurity and the Hubbard models in the strong-coupling regime.

  14. Optimization procedure to control the coupling of vibration modes in flexible space structures (United States)

    Walsh, Joanne L.


    As spacecraft structural concepts increase in size and flexibility, the vibration frequencies become more closely-spaced. The identification and control of such closely-spaced frequencies present a significant challenge. To validate system identification and control methods prior to actual flight, simpler space structures will be flown. To challenge the above technologies, it will be necessary to design these structures with closely-spaced or coupled vibration modes. Thus, there exists a need to develop a systematic method to design a structure which has closely-spaced vibration frequencies. This paper describes an optimization procedure which is used to design a large flexible structure to have closely-spaced vibration frequencies. The procedure uses a general-purpose finite element analysis program for the vibration and sensitivity analyses and a general-purpose optimization program. Results are presented from two studies. The first study uses a detailed model of a large flexible structure to design a structure with one pair of closely-spaced frequencies. The second study uses a simple equivalent beam model of a large flexible structure to obtain a design with two pairs of closely-spaced frequencies.

  15. Is the Coupling of C3V Internal Rotation and Normal Vibrations a Tractable Problem? (United States)

    Pearson, John; Groner, Peter; Daly, Adam M.


    The solution of a C3V internal rotation problem for the torsional manifold of an isolated vibrational state such as the ground state is well established. However, once an interacting small amplitude vibrational state is involved the path to a solution becomes far less clear and there is little guidance in the literature on how to proceed. The fundamental challenge is that the torsional problem and the internal axis system are unique to each torsional manifold of a specific vibrational state. In an asymmetric top molecule vibrational angular momentum can be rotated away, but this sort of rotation changes the angle between the internal rotation axis and the principle axis when there is an internal rotor. This means that there is an angle between the internal axis systems of each torsional manifold of a vibrational state. The net result is that the coupling between the two states must account for the difference in internal axis angle and will have some significant consequences to the selection rules and interactions. Two cases will be discussed, methanol and ethyl cyanide.

  16. Vibration analysis of hydropower house based on fluid-structure coupling numerical method

    Directory of Open Access Journals (Sweden)

    Shu-he Wei


    Full Text Available By using the shear stress transport (SST model to predict the effect of random flow motion in a fluid zone, and using the Newmark method to solve the oscillation equations in a solid zone, a coupling model of the powerhouse and its tube water was developed. The effects of fluid-structure interaction are considered through the kinematic and dynamic conditions applied to the fluid-structure interfaces (FSI. Numerical simulation of turbulent flow through the whole flow passage of the powerhouse and concrete structure vibration analysis in the time domain were carried out with the model. Considering the effect of coupling the turbulence and the powerhouse structure, the time history response of both turbulent flows through the whole flow passage and powerhouse structure vibration were generated. Concrete structure vibration analysis shows that the displacement, velocity, and acceleration of the dynamo floor respond dramatically to pressure fluctuations in the flow passage. Furthermore, the spectrum analysis suggests that pressure fluctuation originating from the static and dynamic disturbances of hydraulic turbine blades in the flow passage is one of the most important vibration sources.

  17. A Coupling Vibration Test Bench and the Simulation Research of a Maglev Vehicle

    Directory of Open Access Journals (Sweden)

    Weihua Ma


    Full Text Available To study the characteristics of the coupling vibration between a maglev vehicle and its track beam system and to improve the performance of the levitation system, a new type of vibration test bench was developed. Take a single maglev frame as the study object; simulation of the coupling vibration of the maglev vehicle, levitation system, and track beam were achieved. In addition, all types of real track irregularity excitations can be simulated using hydraulic actuators of the test bench. To expand the research scope, a simulation model was developed that can conduct the simulation research synergistically with the test bench. Based on a dynamics model of the test bench, the dynamics simulation method determined the influence on the levitation control performance of three factors: the track beam support stiffness, the track beam mass, and the track irregularity. The vibration resonance phenomenon of the vehicle/track system was reproduced by the dynamics simulation, and a portion of the simulation results were validated by the test results. By combining the test bench and the dynamics model, experiments can be guided by the simulation results, and the experimental results can validate the dynamics simulation results.

  18. Dynamic modeling and experiments on the coupled vibrations of building and elevator ropes (United States)

    Yang, Dong-Ho; Kim, Ki-Young; Kwak, Moon K.; Lee, Seungjun


    This study is concerned with the theoretical modelling and experimental verification of the coupled vibrations of building and elevator ropes. The elevator ropes consist of a main rope which supports the cage and the compensation rope which is connected to the compensation sheave. The elevator rope is a flexible wire with a low damping, so it is prone to vibrations. In the case of a high-rise building, the rope length also increases significantly, so that the fundamental frequency of the elevator rope approaches the fundamental frequency of the building thus increasing the possibility of resonance. In this study, the dynamic model for the analysis of coupled vibrations of building and elevator ropes was derived by using Hamilton's principle, where the cage motion was also considered. An experimental testbed was built to validate the proposed dynamic model. It was found that the experimental results are in good agreement with the theoretical predictions thus validating the proposed dynamic model. The proposed model was then used to predict the vibrations of real building and elevator ropes.

  19. Ro-vibrational coupling in high temperature thermochemistry of the BBr molecule (United States)

    Buchowiecki, Marcin


    High temperature thermochemistry of the BBr molecule is investigated with the classical approach in the temperature range of 300-20,000 K. The role of ro-vibrational coupling is elucidated. The internal partition function, thermal energy, heat capacity, and entropy are calculated at three levels of approximation, i.e. taking into account bound states on the ground state (1 Σ), including also two excited states (3 Π and 1 Π), and finally adding the resonance and scattering states. The influence of these approximations on studied quantities is investigated. The entropy is found to be the least sensitive to approximations in the ro-vibrational coupling and the heat capacity the most sensitive.

  20. User's manual for the coupled rotor/airframe vibration analysis graphic package (United States)

    Studwell, R. E.


    User instructions for a graphics package for coupled rotor/airframe vibration analysis are presented. Responses to plot package messages which the user must make to activate plot package operations and options are described. Installation instructions required to set up the program on the CDC system are included. The plot package overlay structure and subroutines which have to be modified for the CDC system are also described. Operating instructions for CDC applications are included.

  1. Highly sensitive mass detection and identification using vibration localization in coupled microcantilever arrays (United States)

    Spletzer, Matthew; Raman, Arvind; Sumali, Hartono; Sullivan, John P.


    We study the use of vibration localization in large arrays of mechanically coupled, nearly identical microcantilevers for ultrasensitive mass detection and identification. We demonstrate that eigenmode changes in such an array can be two to three orders of magnitude greater than relative changes in resonance frequencies when an analyte mass is added. Moreover, the changes in eigenmodes are unique to the cantilever to which mass is added, thereby providing a characteristic "fingerprint" that identifies the particular cantilever where mass has been added. This opens the door to ultrasensitive detection and identification of multiple analytes with a single coupled array.

  2. Coupled analysis of multi-impact energy harvesting from low-frequency wind induced vibrations (United States)

    Zhu, Jin; Zhang, Wei


    Energy need from off-grid locations has been critical for effective real-time monitoring and control to ensure structural safety and reliability. To harvest energy from ambient environments, the piezoelectric-based energy-harvesting system has been proven very efficient to convert high frequency vibrations into usable electrical energy. However, due to the low frequency nature of the vibrations of civil infrastructures, such as those induced from vehicle impacts, wind, and waves, the application of a traditional piezoelectric-based energy-harvesting system is greatly restrained since the output power drops dramatically with the reduction of vibration frequencies. This paper focuses on the coupled analysis of a proposed piezoelectric multi-impact wind-energy-harvesting device that can effectively up-convert low frequency wind-induced vibrations into high frequency ones. The device consists of an H-shape beam and four bimorph piezoelectric cantilever beams. The H-shape beam, which can be easily triggered to vibrate at a low wind speed, is originated from the first Tacoma Narrows Bridge, which failed at wind speeds of 18.8 m s-1 in 1940. The multi-impact mechanism between the H-shape beam and the bimorph piezoelectric cantilever beams is incorporated to improve the harvesting performance at lower frequencies. During the multi-impact process, a series of sequential impacts between the H-shape beam and the cantilever beams can trigger high frequency vibrations of the cantilever beams and result in high output power with a considerably high efficiency. In the coupled analysis, the coupled structural, aerodynamic, and electrical equations are solved to obtain the dynamic response and the power output of the proposed harvesting device. A parametric study for several parameters in the coupled analysis framework is carried out including the external resistance, wind speed, and the configuration of the H-shape beam. The average harvested power for the piezoelectric cantilever

  3. On the Nonlinear Behavior of the Piezoelectric Coupling on Vibration-Based Energy Harvesters

    Directory of Open Access Journals (Sweden)

    Luciana L. Silva


    Full Text Available Vibration-based energy harvesting with piezoelectric elements has an increasing importance nowadays being related to numerous potential applications. A wide range of nonlinear effects is observed in energy harvesting devices and the analysis of the power generated suggests that they have considerable influence on the results. Linear constitutive models for piezoelectric materials can provide inconsistencies on the prediction of the power output of the energy harvester, mainly close to resonant conditions. This paper investigates the effect of the nonlinear behavior of the piezoelectric coupling. A one-degree of freedom mechanical system is coupled to an electrical circuit by a piezoelectric element and different coupling models are investigated. Experimental tests available in the literature are employed as a reference establishing the best matches of the models. Subsequently, numerical simulations are carried out showing different responses of the system indicating that nonlinear piezoelectric couplings can strongly modify the system dynamics.

  4. Design for coupled-mode flutter and non-synchronous vibration in turbomachinery (United States)

    Clark, Stephen Thomas

    This research presents the detailed investigation of coupled-mode flutter and non-synchronous vibration in turbomachinery. Coupled-mode flutter and non-synchronous vibration are two aeromechanical challenges in designing turbomachinery that, when present, can cause engine blade failure. Regarding flutter, current industry design practices calculate the aerodynamic loads on a blade due to a single mode. In response to these design standards, a quasi three-dimensional, reduced-order modeling tool was developed for identifying the aeroelastic conditions that cause multi-mode flutter. This tool predicts the onset of coupled-mode flutter reasonable well for four different configurations, though certain parameters were tuned to agree with experimentation. Additionally, the results of this research indicate that mass ratio, frequency separation, and solidity have an effect on critical rotor speed for flutter. Higher mass-ratio blades require larger rotational velocities before they experience coupled-mode flutter. Similarly, increasing the frequency separation between modes and raising the solidity increases the critical rotor speed. Finally, and most importantly, design guidelines were generated for defining when a multi-mode flutter analysis is required in practical turbomachinery design. Previous work has shown that industry computational fluid dynamics can approximately predict non-synchronous vibration (NSV), but no real understanding of frequency lock-in and blade limit-cycle amplitude exists. Therefore, to understand the causes of NSV, two different reduced-order modeling approaches were used. The first approach uses a van der Pol oscillator to model a non-linear fluid instability. The van der Pol model is then coupled to a structural degree of freedom. This coupled system exhibits the two chief properties seen in experimental and computational non-synchronous vibration. Under various conditions, the fluid instability and the natural structural frequency will lock

  5. Couples and pairs formation—thermodynamic and kinetic modelling applied to Al-Mg-Si (United States)

    Svoboda, J.; Shan, Y. V.; Kozeschnik, E.; Fischer, F. D.


    Kinetics of formation of couples (B-C) and pairs (B-B, C-C) is studied in an alloy with B-atoms and C-atoms as dilute solutes and A-atoms as solvent. The trapping concept, allowing division of the system into subsystems, the Bragg-Williams approximation used for the configurational entropy of each subsystem, and the thermodynamic extremal principle are applied in the model. The derived equilibrium conditions provide an extended Oriani-type equation. The kinetics of couples and pairs formation is given by explicit ordinary differential equations for the concentrations of couples and pairs allowing calculation of all relevant state variables. The concept is applied to an Al-Mg-Si system with the bonding energy terms E BB , E CC , E BC taken from ab-initio calculations. The presence of excess vacancies that are eventually frozen in by instant quenching as well as their subsequent annihilation influence the formation kinetics in a decisive way.

  6. Application of Enzyme Coupling Reactions to Shift Thermodynamically Limited Biocatalytic Reactions

    DEFF Research Database (Denmark)

    Abu, Rohana; Woodley, John M.


    In recent years, much interest has been shown in the use of multi-enzyme cascades as a tool in organic synthesis. Such enzymatic cascades can provide added value to a synthetic scheme by starting from cheaper raw materials or making more valuable products. Additionally, they can be used to help s...... parameters such as the equilibrium constant on the multienzyme cascades and the conventional methods of equilibrium shifting are also discussed in addition to methods used to estimate such values....... shift the equilibrium of otherwise thermodynamically unfavourable reactions to give a higher conversion of the target product. By coupling an energetically unfavourable reaction with a more favourable one, the multi-enzyme cascade mimics the approach taken in nature in metabolic pathways. Nevertheless...

  7. Multi-beam laser Doppler vibrometry for acoustic landmine detection using airborne and mechanically coupled vibration (United States)

    Aranchuk, Vyacheslav; Sabatier, James M.; Lal, Amit K.; Hess, Cecil F.; Burgett, Richard D.; O'Neill, Michael


    Acoustic-to-seismic coupling-based technology using a multi-beam laser Doppler vibrometer (LDV) as a vibration sensor has proved itself as a potential confirmatory sensor for buried landmine detection. The multi-beam LDV simultaneously measures the vibration of the ground at 16 points spread over a 1-meter line. The multi-beam LDV was used in two modes of operation: stop-and-stare, and continuously scanning beams. The noise floor of measurements in the continuously scanning mode increased with increasing scanning speed. This increase in the velocity noise floor is caused by dynamic speckles. The influence of amplitude and phase fluctuations of the Doppler signal due to dynamic speckles on the phase locked loop (PLL) demodulated output is discussed in the paper. Either airborne sound or mechanical shakers can be used as a source to excite vibration of the ground. A specially-designed loudspeaker array and mechanical shakers were used in the frequency range from 85-2000 Hz to excite vibrations in the ground and elicit resonances in the mine. The efficiency of these two methods of excitation has been investigated and is discussed in the paper. This research is supported by the U. S. Army Research, Development, and Engineering Command, Night, Vision and Electronic Sensors Directorate under Contract DAAB15-02-C-0024.

  8. Symmetry, vibrational energy redistribution and vibronic coupling: The internal conversion processes of cycloketones

    DEFF Research Database (Denmark)

    Kuhlman, Thomas Scheby; Sauer, Stephan P.A.; Sølling, Theis I.


    In this paper, we discern two basic mechanisms of internal conversion processes; one direct, where immediate activation of coupling modes leads to fast population transfer and one indirect, where internal vibrational energy redistribution leads to equidistribution of energy, i.e., ergodicity......, and slower population transfer follows. Using model vibronic coupling Hamiltonians parameterized on the basis of coupled-cluster calculations, we investigate the nature of the Rydberg to valence excited-state internal conversion in two cycloketones, cyclobutanone and cyclopentanone. The two basic mechanisms...... can amply explain the significantly different time scales for this process in the two molecules, a difference which has also been reported in recent experimental findings [T. S. Kuhlman, T. I. Sølling, and K. B. Møller, ChemPhysChem. 13, 820 (2012)]...

  9. An Improved Fourier Series Method for the Free Vibration Analysis of the Three-Dimensional Coupled Beams

    Directory of Open Access Journals (Sweden)

    Runze Zhang


    Full Text Available This paper presents a free vibration analysis of three-dimensional coupled beams with arbitrary coupling angle using an improved Fourier method. The displacement and rotation of the coupled beams are represented by the improved Fourier series which consisted of Fourier cosine series and closed-form auxiliary functions. The coupling and boundary conditions are accomplished by setting coupling and boundary springs and assigning corresponding stiffness values to the springs. Modal parameters are determined through the application of Rayleigh-Ritz procedure to the system energy formulation. The accuracy and convergence of the present method are demonstrated by finite element method (FEM result. Investigation on vibration of the propulsion shafting structure shows the extensive applicability of present method. The studies on the vibration suppression devices are also reported.

  10. Optimum Tuning of a Gyroscopic Vibration Absorber Using Coupled Gyroscopes for Vibration Control of a Vertical Cantilever Beam

    Directory of Open Access Journals (Sweden)

    F. Ünker


    Full Text Available This paper deals with the investigation of optimum values of the stiffness and damping which connect two gyroscopic systems formed by two rotors mounted in gimbal assuming negligible masses for the spring, damper, and gimbal support. These coupled gyroscopes use two gyroscopic flywheels, spinning in opposing directions to have reverse precessions to eliminate the forces due to the torque existing in the torsional spring and the damper between gyroscopes. The system is mounted on a vertical cantilever with the purpose of studying the horizontal and vertical vibrations. The equation of motion of the compound system (gyro-beam system is introduced and solved to find the response measured on the primary system. This is fundamental to design, in some way, the dynamic absorber or neutralizer. On the other hand, the effect of the angular velocities of the gyroscopes are studied, and it is shown that the angular velocity (spin velocity of a gyroscope has a significant effect on the behavior of the dynamic motion. Correctness of the analytical results is verified by numerical simulations. The comparison with the results from the derivation of the corresponding frequency equations shows that the optimized stiffness and damping values are very accurate.

  11. Particle-vibration coupling: Recent advances in microscopic calculations with the Skyrme Hamiltonian

    Energy Technology Data Exchange (ETDEWEB)

    Colò, G., E-mail: [Università degli Studi di Milano, Dipartimento di Fisica (Italy); Baldo, M. [Sez. di Catania, Istituto Nazionale di Fisica Nucleare (INFN) (Italy); Bortignon, P. F.; Rizzo, D.; Bocchi, G. [Università degli Studi di Milano, Dipartimento di Fisica (Italy)


    In this contribution, we report some recent progress in our understanding of particle-vibration coupling (PVC) in nuclei. In particular, we first review the formal development that has allowed some of us to deduce the PVC equations within the Green’s functionmethod. Applications are then discussed, both in the case of single-particle states and giant resonances in magic nuclei. We also present a new model that extends the PVC ansatz and is meant to account for the complete low-lying spectra of odd nuclei.

  12. The control of drilling vibrations: A coupled PDE-ODE modeling approach

    Directory of Open Access Journals (Sweden)

    Saldivar Belem


    Full Text Available The main purpose of this contribution is the control of both torsional and axial vibrations occurring along a rotary oilwell drilling system. The model considered consists of a wave equation coupled to an ordinary differential equation (ODE through a nonlinear function describing the rock-bit interaction. We propose a systematic method to design feedback controllers guaranteeing ultimate boundedness of the system trajectories and leading consequently to the suppression of harmful dynamics. The proposal of a Lyapunov-Krasovskii functional provides stability conditions stated in terms of the solution of a set of linear and bilinear matrix inequalities (LMIs, BMIs. Numerical simulations illustrate the efficiency of the obtained control laws.

  13. Validation of vibration-dissociation coupling models in hypersonic non-equilibrium separated flows (United States)

    Shoev, G.; Oblapenko, G.; Kunova, O.; Mekhonoshina, M.; Kustova, E.


    The validation of recently developed models of vibration-dissociation coupling is discussed in application to numerical solutions of the Navier-Stokes equations in a two-temperature approximation for a binary N2/N flow. Vibrational-translational relaxation rates are computed using the Landau-Teller formula generalized for strongly non-equilibrium flows obtained in the framework of the Chapman-Enskog method. Dissociation rates are calculated using the modified Treanor-Marrone model taking into account the dependence of the model parameter on the vibrational state. The solutions are compared to those obtained using traditional Landau-Teller and Treanor-Marrone models, and it is shown that for high-enthalpy flows, the traditional and recently developed models can give significantly different results. The computed heat flux and pressure on the surface of a double cone are in a good agreement with experimental data available in the literature on low-enthalpy flow with strong thermal non-equilibrium. The computed heat flux on a double wedge qualitatively agrees with available data for high-enthalpy non-equilibrium flows. Different contributions to the heat flux calculated using rigorous kinetic theory methods are evaluated. Quantitative discrepancy of numerical and experimental data is discussed.

  14. Coupling effects of nonlocal and modified couple stress theories incorporating surface energy on analytical transverse vibration of a weakened nanobeam (United States)

    Sourki, R.; Hosseini, S. A.


    An analytical solution to the flexural vibration of a weakened nanobeam on the basis of the nonlocal modified couple stress theory including surface effects is under consideration. In this investigation nanobeams are studied within the framework of the Euler-Bernoulli beam theory. The nanobeam is weakened by a crack modeled as a rotational spring at the crack position. This assumption divides the beam into two sections, invoking additional conditions on the beam. The governing equations and boundary conditions for the beam are obtained by applying the Hamilton principle. The natural frequencies for the cracked nanobeam are determined to investigate the effects of crack severity, crack position, nonlocal parameter, material length scale parameter and surface effect parameters. It has been found that the mentioned parameters have considerable effects on stiffness and have a significant impact the dynamic behavior of the nanobeam.

  15. Forced vibration and wave propagation in mono-coupled periodic structures

    DEFF Research Database (Denmark)

    Ohlrich, Mogens


    This paper describes the wave propagation and vibration characteristics of mono-coupled structures which are of spatially periodic nature. The receptance approach to periodic structure theory is applied to study undamped periodic systems with composite structural elements; particular emphasis...... is laid on investigating resonant periodic point loading and its pronounced effect on the propagation of longitudinal waves. General mono-coupled periodic systems are first assumed to be infinite in extent; thereafter reflections caused by arbitrary end terminations of finite structures are considered...... and a general `closed form' solution is found for the forced harmonic response at element junctions. This `junction-receptance' is used to determine-discrete junction mode shapes of a finite system. Finally, the forced response of a finite structure with an internal obstruction is derived as a natural extension...

  16. Signal transmission by vibrational resonance in one-way coupled bistable systems. (United States)

    Yao, Chenggui; Zhan, Meng


    Low-frequency signal transmission in one-way coupled bistable systems subject to a high-frequency force is studied. Two cases including the high-frequency force on all sites (case 1) and only on the first site (case 2) are considered. In these two cases, vibrational resonance induced by the high-frequency force can play an active role to effectively improve the signal transmission, and undamped signal transmission can be found in a broad parameter region. The combinative action of injected low-frequency signal, high-frequency driving, and coupling is of importance. Our findings suggest that high-frequency signal could be properly used in low-frequency signal transmission, and especially the implementation of high-frequency force simply on the first site for case 2 is meaningful for its simplicity and high efficiency.

  17. Analytical Kinematics and Coupled Vibrations Analysis of Mechanical System Operated by Solar Array Drive Assembly (United States)

    Sattar, M.; Wei, C.; Jalali, A.; Sattar, R.


    To address the impact of solar array (SA) anomalies and vibrations on performance of precision space-based operations, it is important to complete its accurate jitter analysis. This work provides mathematical modelling scheme to approximate kinematics and coupled micro disturbance dynamics of rigid load supported and operated by solar array drive assembly (SADA). SADA employed in analysis provides a step wave excitation torque to activate the system. Analytical investigations into kinematics is accomplished by using generalized linear and Euler angle coordinates, applying multi-body dynamics concepts and transformations principles. Theoretical model is extended, to develop equations of motion (EoM), through energy method (Lagrange equation). The main emphasis is to research coupled frequency response by determining energies dissipated and observing dynamic behaviour of internal vibratory systems of SADA. The disturbance model captures discrete active harmonics of SADA, natural modes and vibration amplifications caused by interactions between active harmonics and structural modes of mechanical assembly. The proposed methodology can help to predict true micro disturbance nature of SADA operating rigid load. Moreover, performance outputs may be compared against actual mission requirements to assess precise spacecraft controller design to meet next space generation stringent accuracy goals.

  18. Hydrodynamic coupling of two sharp-edged beams vibrating in a viscous fluid (United States)

    Intartaglia, Carmela; Soria, Leonardo; Porfiri, Maurizio


    In this paper, we study flexural vibrations of two thin beams that are coupled through an otherwise quiescent viscous fluid. While most of the research has focused on isolated beams immersed in placid fluids, inertial and viscous hydrodynamic coupling is ubiquitous across a multitude of engineering and natural systems comprising arrays of flexible structures. In these cases, the distributed hydrodynamic loading experienced by each oscillating structure is not only related to its absolute motion but is also influenced by its relative motion with respect to the neighbouring structures. Here, we focus on linear vibrations of two identical beams for low Knudsen, Keulegan–Carpenter and squeeze numbers. Thus, we describe the fluid flow using unsteady Stokes hydrodynamics and we propose a boundary integral formulation to compute pertinent hydrodynamic functions to study the fluid effect. We validate the proposed theoretical approach through experiments on centimetre-size compliant cantilevers that are subjected to underwater base-excitation. We consider different geometric arrangements, beam interdistances and excitation frequencies to ascertain the model accuracy in terms of the relevant non-dimensional parameters. PMID:24511249

  19. Dynamics of coupled nonlinear oscillators: The formation of long-lived vibrational states in the case of molecular systems (United States)

    Koval'skaya, G. A.; Petrov, A. K.


    Nonlinear vibrations in a closed system of coupled nonlinear oscillators are studied using acetylene type molecules as an example. A criterion for the stable existence of long-lived vibrational states—local modes—in one of the oscillators is obtained. It is shown that the disappearance of a local mode, as well as its appearance, proceeds abruptly, and the mechanism of stabilization of these excitations is due to the presence or absence of internal resonances of an oscillatory system such as any polyatomic molecule. Energy values needed to excite vibrations in which local modes can appear are determined. It is shown that calculation results agree with experimental data.

  20. Thermodynamics of Charged Rotating Dilaton Black Branes Coupled to Logarithmic Nonlinear Electrodynamics

    Directory of Open Access Journals (Sweden)

    A. Sheykhi


    Full Text Available We construct a new class of charged rotating black brane solutions in the presence of logarithmic nonlinear electrodynamics with complete set of the rotation parameters in arbitrary dimensions. The topology of the horizon of these rotating black branes is flat, while due to the presence of the dilaton field the asymptotic behavior of them is neither flat nor (anti-de Sitter [(AdS]. We investigate the physical properties of the solutions. The mass and angular momentum of the spacetime are obtained by using the counterterm method inspired by AdS/CFT correspondence. We derive temperature, electric potential, and entropy associated with the horizon and check the validity of the first law of thermodynamics on the black brane horizon. We study thermal stability of the solutions in both canonical and grand-canonical ensemble and disclose the effects of the rotation parameter, nonlinearity of electrodynamics, and dilaton field on the thermal stability conditions. We find the solutions are thermally stable for α1 the solutions may encounter an unstable phase, where α is dilaton-electromagnetic coupling constant.

  1. Vibronic coupling in the superoxide anion: the vibrational dependence of the photoelectron angular distribution. (United States)

    Van Duzor, Matthew; Mbaiwa, Foster; Wei, Jie; Singh, Tulsi; Mabbs, Richard; Sanov, Andrei; Cavanagh, Steven J; Gibson, Stephen T; Lewis, Brenton R; Gascooke, Jason R


    We present a comprehensive photoelectron imaging study of the O(2)(X  (3)Σ(g)(-),v(')=0-6)←O(2)(-)(X  (2)Π(g),v(")=0) and O(2)(a (1)Δ(g),v(')=0-4)←O(2)(-)(X  (2)Π(g),v(")=0) photodetachment bands at wavelengths between 900 and 455 nm, examining the effect of vibronic coupling on the photoelectron angular distribution (PAD). This work extends the v(')=1-4 data for detachment into the ground electronic state, presented in a recent communication [R. Mabbs, F. Mbaiwa, J. Wei, M. Van Duzor, S. T. Gibson, S. J. Cavanagh, and B. R. Lewis, Phys. Rev. A 82, 011401(R) (2010)]. Measured vibronic intensities are compared to Franck-Condon predictions and used as supporting evidence of vibronic coupling. The results are analyzed within the context of the one-electron, zero core contribution (ZCC) model [R. M. Stehman and S. B. Woo, Phys. Rev. A 23, 2866 (1981)]. For both bands, the photoelectron anisotropy parameter variation with electron kinetic energy, β(E), displays the characteristics of photodetachment from a d-like orbital, consistent with the π(g)(∗) 2p highest occupied molecular orbital of O(2)(-). However, differences exist between the β(E) trends for detachment into different vibrational levels of the X  (3)Σ(g)(-) and a (1)Δ(g) electronic states of O(2). The ZCC model invokes vibrational channel specific "detachment orbitals" and attributes this behavior to coupling of the electronic and nuclear motion in the parent anion. The spatial extent of the model detachment orbital is dependent on the final state of O(2): the higher the neutral vibrational excitation, the larger the electron binding energy. Although vibronic coupling is ignored in most theoretical treatments of PADs in the direct photodetachment of molecular anions, the present findings clearly show that it can be important. These results represent a benchmark data set for a relatively simple system, upon which to base rigorous tests of more sophisticated models.

  2. The Influence of Shaft’s Bending on the Coupling Vibration of a Flexible Blade-Rotor System

    Directory of Open Access Journals (Sweden)

    Chao-feng Li


    Full Text Available The influence of shaft bending on the coupling vibration of rotor-blades system is nonignorable. Therefore, this paper analyzed the influence of shaft bending on the coupling vibration of rotor-blades system. The vibration mode function of shaft under elastic supporting condition was also derived to ensure accuracy of the model as well. The influence of the number of blades, the position of disk, and the support stiffness of shaft on critical speed of system was analyzed. The numerical results show that there were two categories of coupling mode shapes which belong to a set where the blade’s first two modes predominate in the system: shaft-blade (SB mode and interblade (BB mode due to the coupling between blade and shaft. The BB mode was of repeated frequencies of (Nb-2 multiplicity for number blades, and the SB mode was of repeated frequencies of (2 multiplicity for number blades. What is more, with the increase of the number of blades, natural frequency of rotor was decreasing linearly, that of BB mode was constant, and that of SB mode was increasing linearly. Natural frequency of BB mode was not affected while that of rotor and SB mode was affected (changed symmetrically with the center of shaft by the position of disk. In the end, vibration characteristics of coupling mode shapes were analyzed.

  3. Prediction of high-frequency vibration transmission across coupled, periodic ribbed plates by incorporating tunneling mechanisms. (United States)

    Yin, Jianfei; Hopkins, Carl


    Prediction of structure-borne sound transmission on built-up structures at audio frequencies is well-suited to Statistical Energy Analysis (SEA) although the inclusion of periodic ribbed plates presents challenges. This paper considers an approach using Advanced SEA (ASEA) that can incorporate tunneling mechanisms within a statistical approach. The coupled plates used for the investigation form an L-junction comprising a periodic ribbed plate with symmetric ribs and an isotropic homogeneous plate. Experimental SEA (ESEA) is carried out with input data from Finite Element Methods (FEM). This indicates that indirect coupling is significant at high frequencies where bays on the periodic ribbed plate can be treated as individual subsystems. SEA using coupling loss factors from wave theory leads to significant underestimates in the energy of the bays when the isotropic homogeneous plate is excited. This is due to the absence of tunneling mechanisms in the SEA model. In contrast, ASEA shows close agreement with FEM and laboratory measurements. The errors incurred with SEA rapidly increase as the bays become more distant from the source subsystem. ASEA provides significantly more accurate predictions by accounting for the spatial filtering that leads to non-diffuse vibration fields on these more distant bays.

  4. On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice

    Energy Technology Data Exchange (ETDEWEB)

    Reddy, Sandeep K.; Straight, Shelby C.; Bajaj, Pushp; Huy Pham, C.; Riera, Marc; Moberg, Daniel R.; Morales, Miguel A.; Knight, Chris; Götz, Andreas W.; Paesani, Francesco


    The MB-pol many-body potential has recently emerged as an accurate molecular model for water simulations from the gas to the condensed phase. In this study, the accuracy of MB-pol is systematically assessed across the three phases of water through extensive comparisons with experimental data and high-level ab initio calculations. Individual many-body contributions to the interaction energies as well as vibrational spectra of water clusters calculated with MB-pol are in excellent agreement with reference data obtained at the coupled cluster level. Several structural, thermodynamic, and dynamical properties of the liquid phase at atmospheric pressure are investigated through classical molecular dynamics simulations as a function of temperature. The structural properties of the liquid phase are in nearly quantitative agreement with X-ray diffraction data available over the temperature range from 268 to 368 K. The analysis of other thermodynamic and dynamical quantities emphasizes the importance of explicitly including nuclear quantum effects in the simulations, especially at low temperature, for a physically correct description of the properties of liquid water. Furthermore, both densities and lattice energies of several ice phases are also correctly reproduced by MB-pol. Following a recent study of DFT models for water, a score is assigned to each computed property, which demonstrates the high and, in many respects, unprecedented accuracy of MB-pol in representing all three phases of water. Published by AIP Publishing.

  5. Interplay between Hydrogen Bonding and Vibrational Coupling in Liquid N-Methylacetamide. (United States)

    Cunha, Ana V; Salamatova, Evgeniia; Bloem, Robbert; Roeters, Steven J; Woutersen, Sander; Pshenichnikov, Maxim S; Jansen, Thomas L C


    Intrinsically disordered proteins play an important role in biology, and unraveling their labile structure presents a vital challenge. However, the dynamical structure of such proteins thwarts their study by standard techniques such as X-ray diffraction and NMR spectroscopy. Here, we use a neat liquid composed of N-methylacetamide molecules as a model system to elucidate dynamical and structural properties similar to those one can expect to see in intrinsically disordered proteins. To examine the structural dynamics in the neat liquid, we combine molecular dynamics, response-function-based spectral simulations, and two-dimensional polarization-resolved infrared spectroscopy in the amide I (CO stretch) region. The two-dimensional spectra reveal a delicate interplay between hydrogen bonding and intermolecular vibrational coupling effects, observed through a fast anisotropy decay. The present study constitutes a general platform for understanding the structure and dynamics of highly disordered proteins.

  6. The analysis on coupling vibration of drill string and marine riser in deep-water drilling

    Directory of Open Access Journals (Sweden)

    C Han


    Full Text Available During drilling in the deep water, the system including marine riser and drill string over the wellhead exits strong dynamic response because of the motion of platform. The contact-collision problem between the drill string and marine riser under platform swaying is a highly non-linear dynamics problem, drill string and marine riser contact-collision position along the axis of marine riser is randomly distributed, and that there exits friction. In this paper, by using the method of finite element, the model of dynamical behavior of the system is set up, the state of contact between marine riser and drill string shows randomness. The rule of free lateral coupling vibration of drill string and marine riser has been obtained; the result shows the situation of random contact between drill string and marine rising. By case analysis the result shows that the platform swaying has great effect to the system of marine riser and drill string.

  7. Harvesting vibrational energy with liquid-bridged electrodes: thermodynamics in mechanically and electrically driven RC-circuits

    NARCIS (Netherlands)

    Janssen, Mathijs; Werkhoven, Ben; Van Roij, René


    We theoretically study a vibrating pair of parallel electrodes bridged by a (deformed) liquid droplet, which is a recently developed microfluidic device to harvest vibrational energy. The device can operate with various liquids, including liquid metals, electrolytes, as well as ionic liquids. We

  8. Study of coupling between bending and torsional vibration of cracked rotor system supported by radial active magnetic bearings


    Ferfecki P.


    The coupling of bending and torsional vibration due to the presence of transverse fatigue crack in a rotor system supported by radial active magnetic bearings (AMB) is investigated. For this purpose the modified stiffness matrix with six degrees of freedom per node is used and takes into account all the coupling phenomena that exists in a cracked rotor. The partial opening and closing of crack is considered by means of status of stress intensity factor along the crack edge. The equation of mo...

  9. Coherent coupling between a molecular vibration and Fabry-Perot optical cavity to give hybridized states in the strong coupling limit (Presentation Recording) (United States)

    Long, James P.; Owrutsky, Jeff C.; Fears, Kenan P.; Dressick, Walter J.; Dunkelberger, Adam D.; Compton, Ryan; Spann, Bryan; Simpkins, Blake S.


    Coherent coupling between an optical-transition and confined optical mode, when sufficiently strong, gives rise to new modes separated by the vacuum Rabi splitting. Such systems have been investigated for electronic-state transitions, however, only very recently have vibrational transitions been considered. Here, we bring strong polaritonic-coupling in cavities from the visible into the infrared where a new range of static and dynamic vibrational processes await investigation. First, we experimentally and numerically describe coupling between a Fabry-Perot cavity and carbonyl stretch (~1730 cm 1) in poly-methylmethacrylate. As is requisite for "strong coupling", the measured vacuum Rabi splitting of 132 cm 1 is much larger than the full width of the cavity (34 cm-1) and the inhomogeneously broadened carbonyl-stretch (24 cm-1). Agreement with classical theories providea evidence that the mixed-states are relatively immune to inhomogeneous broadening. Next, we investigate strong and weak coupling regimes through examination of cavities loaded with varying concentrations of urethane. Rabi splittings increases from 0 to ~104 cm-1 with concentrations from 0-20 vol% and are in excellent agreement to an analytical description using no fitting parameters. Ultra-fast pump-probe measurements reveal transient absorption signals over a frequency range well-separated from the vibrational band as well as modifications of energy relaxation times. Finally, we demonstrate coupling to liquids using the C-O stretching band (~1985 cm-1) of Mo(CO)6 in an aqueous solution. Opening the field of polaritonic coupling to vibrational species promises to be a rich arena amenable to a wide variety of infrared-active bonds that can be studied statically and dynamically.

  10. Thermodynamic Theory with Mixing Entropy Coupled to Mixing Energy for Phase Separation and Solubility Transition (United States)

    Sasaki, Shigeo


    Thermodynamic theory is developed by introducing the concept of intermolecular interaction surface areas in the evaluation of the mixing free energy, which can quantitatively explain the phase separation with the lower critical solution temperature (LCST) and the solubility transition.

  11. Research on Effective Electric-Mechanical Coupling Coefficient of Sandwich Type Piezoelectric Ultrasonic Transducer Using Bending Vibration Mode

    Directory of Open Access Journals (Sweden)

    Qiang Zhang


    Full Text Available An analytical model on electromechanical coupling coefficient and the length optimization of a bending piezoelectric ultrasonic transducer are proposed. The piezoelectric transducer consists of 8 PZT elements sandwiched between four thin electrodes, and the PZT elements are clamped by a screwed connection between fore beam and back beam. Firstly, bending vibration model of the piezoelectric transducer is built based on the Timoshenko beam theory. Secondly, the analytical model of effective electromechanical coupling coefficient is built based on the bending vibration model. Energy method and electromechanical equivalent circuit method are involved in the modelling process. To validate the analytical model, sandwich type piezoelectric transducer example in second order bending vibration mode is analysed. Effective electromechanical coupling coefficient of the transducer is optimized with simplex reflection technique, and the optimized ratio of length of the transducers is obtained. Finally, experimental prototypes of the sandwich type piezoelectric transducers are fabricated. Bending vibration mode and impedance of the experimental prototypes are tested, and electromechanical coupling coefficient is obtained according to the testing results. Results show that the analytical model is in good agreement with the experimental model.

  12. Coupled rotor-fuselage vibration reduction with multiple frequency blade pitch control (United States)

    Papavassiliou, I.; Friedmann, P. P.; Venkatesan, C.


    A nonlinear coupled rotor/flexible fuselage analysis has been developed and used to study the effects of higher harmonic blade pitch control on the vibratory hub loads and fuselage acceleration levels. Previous results, obtained with this model have shown that conventional higher harmonic control (HHC) inputs aimed at hub shear reduction cause an increase in the fuselage accelerations and vice-versa. It was also found that for simultaneous reduction of hub shears and fuselage accelerations, a pitch input representing a combination of two higher harmonic components of different frequencies was needed. Subsequently, it was found that this input could not be implemented through a conventional swashplate. This paper corrects a mistake originally made in the representation of the multiple frequency pitch input and shows that such a pitch input can be only implemented in the rotating reference frame. A rigorous mathematical solution is found, for the pitch input in the rotating reference frame, which produces simultaneous reduction of hub shears and fuselage acceleration. New insight on vibration reduction in coupled rotor/fuselage systems is obtained from the sensitivity of hub shears to the frequency and amplitude of the open loop HHC signal in the rotating reference frame. Finally the role of fuselage flexibility in this class of problems is determined.

  13. Giant electromechanical coupling of relaxor ferroelectrics controlled by polar nanoregion vibrations. (United States)

    Manley, Michael E; Abernathy, Douglas L; Sahul, Raffi; Parshall, Daniel E; Lynn, Jeffrey W; Christianson, Andrew D; Stonaha, Paul J; Specht, Eliot D; Budai, John D


    Relaxor-based ferroelectrics are prized for their giant electromechanical coupling and have revolutionized sensor and ultrasound applications. A long-standing challenge for piezoelectric materials has been to understand how these ultrahigh electromechanical responses occur when the polar atomic displacements underlying the response are partially broken into polar nanoregions (PNRs) in relaxor-based ferroelectrics. Given the complex inhomogeneous nanostructure of these materials, it has generally been assumed that this enhanced response must involve complicated interactions. By using neutron scattering measurements of lattice dynamics and local structure, we show that the vibrational modes of the PNRs enable giant coupling by softening the underlying macrodomain polarization rotations in relaxor-based ferroelectric PMN-xPT {(1 - x)[Pb(Mg1/3Nb2/3)O3] - xPbTiO3} (x = 30%). The mechanism involves the collective motion of the PNRs with transverse acoustic phonons and results in two hybrid modes, one softer and one stiffer than the bare acoustic phonon. The softer mode is the origin of macroscopic shear softening. Furthermore, a PNR mode and a component of the local structure align in an electric field; this further enhances shear softening, revealing a way to tune the ultrahigh piezoelectric response by engineering elastic shear softening.

  14. Influence of weak vibrational-electronic couplings on 2D electronic spectra and inter-site coherence in weakly coupled photosynthetic complexes

    Energy Technology Data Exchange (ETDEWEB)

    Monahan, Daniele M.; Whaley-Mayda, Lukas; Fleming, Graham R., E-mail: [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Kavli Energy NanoSciences Institute at Berkeley, Berkeley, California 94720 (United States); Ishizaki, Akihito [Institute for Molecular Science, National Institutes of Natural Sciences, Okazaki 444-8585 (Japan)


    Coherence oscillations measured in two-dimensional (2D) electronic spectra of pigment-protein complexes may have electronic, vibrational, or mixed-character vibronic origins, which depend on the degree of electronic-vibrational mixing. Oscillations from intrapigment vibrations can obscure the inter-site coherence lifetime of interest in elucidating the mechanisms of energy transfer in photosynthetic light-harvesting. Huang-Rhys factors (S) for low-frequency vibrations in Chlorophyll and Bacteriochlorophyll are quite small (S ≤ 0.05), so it is often assumed that these vibrations influence neither 2D spectra nor inter-site coherence dynamics. In this work, we explore the influence of S within this range on the oscillatory signatures in simulated 2D spectra of a pigment heterodimer. To visualize the inter-site coherence dynamics underlying the 2D spectra, we introduce a formalism which we call the “site-probe response.” By comparing the calculated 2D spectra with the site-probe response, we show that an on-resonance vibration with Huang-Rhys factor as small as S = 0.005 and the most strongly coupled off-resonance vibrations (S = 0.05) give rise to long-lived, purely vibrational coherences at 77 K. We moreover calculate the correlation between optical pump interactions and subsequent entanglement between sites, as measured by the concurrence. At 77 K, greater long-lived inter-site coherence and entanglement appear with increasing S. This dependence all but vanishes at physiological temperature, as environmentally induced fluctuations destroy the vibronic mixing.

  15. A general higher-order nonlocal couple stress based beam model for vibration analysis of porous nanocrystalline nanobeams (United States)

    Ebrahimi, Farzad; Barati, Mohammad Reza


    This paper develops a higher order refined beam model with a parabolic shear strain function for vibration analysis of porous nanocrystalline nanobeams based on nonlocal couple stress theory. Nanocrystalline nanobeam is composed from three phases which are nano-grains, nano-voids and interface. Nano-voids or porosities inside the material have a stiffness-softening impact on the nanobeam. Nonlocal elasticity theory of Eringen is applied in analysis of nanocrystalline nanobeams for the first time. Also, modified couple stress theory is employed to capture grains rigid rotations. The governing equations obtained from Hamilton's principle are solved applying an analytical approach which satisfies various boundary conditions. The reliability of present approach is verified by comparing obtained results with those provided in literature. Finally the influences of nonlocal parameter, couple stress, grain size, porosities and shear deformation on the vibration characteristics of nanocrystalline nanobeams are explored.

  16. Enhancement of Energy Harvesting Performance by a Coupled Bluff Splitter Body and PVEH Plate through Vortex Induced Vibration near Resonance

    Directory of Open Access Journals (Sweden)

    Wei Ken Chin


    Full Text Available Inspired by vortex induced vibration energy harvesting development as a new source of renewable energy, a T-shaped design vibration energy harvester is introduced with the aim of enhancing its performance through vortex induced vibration at near resonance conditions. The T-shaped structural model designed consists of a fixed boundary aluminum bluff splitter body coupled with a cantilever piezoelectric vibration energy harvesters (PVEH plate model which is a piezoelectric bimorph plate made of a brass plate sandwiched between 2 lead zirconate titanate (PZT plates. A 3-dimensional Fluid-Structure Interaction simulation analysis is carried out with Reynolds Stress Turbulence Model under wind speed of 7, 10, 12, 14, 16, 18, 19, 20, 22.5, and 25 m/s. The results showed that with 19 m/s wind speed, the model generates 75.758 Hz of vortex frequency near to the structural model’s natural frequency of 76.9 Hz. Resonance lock-in therefore occurred, generating a maximum displacement amplitude of 2.09 mm or a 49.76% increment relatively in vibrational amplitude. Under the effect of resonance at the PVEH plate’s fundamental natural frequency, it is able to generate the largest normalized power of 13.44 mW/cm3g2.

  17. Characterizing the free and surface-coupled vibrations of heated-tip atomic force microscope cantilevers. (United States)

    Killgore, Jason P; Tung, Ryan C; Hurley, Donna C


    Combining heated-tip atomic force microscopy (HT-AFM) with quantitative methods for determining surface mechanical properties, such as contact resonance force microscopy, creates an avenue for nanoscale thermomechanical property characterization. For nanomechanical methods that employ an atomic force microscope cantilever's vibrational modes, it is essential to understand how the vibrations of the U-shaped HT-AFM cantilever differ from those of a more traditional rectangular lever, for which analytical techniques are better developed. Here we show, with a combination of finite element analysis (FEA) and experiments, that the HT-AFM cantilever exhibits many more readily-excited vibrational modes over typical AFM frequencies compared to a rectangular cantilever. The arms of U-shaped HT-AFM cantilevers exhibit two distinct forms of flexural vibrations that differ depending on whether the two arms are vibrating in-phase or out-of-phase with one another. The in-phase vibrations are qualitatively similar to flexural vibrations in rectangular cantilevers and generally show larger sensitivity to surface stiffness changes than the out-of-phase vibrations. Vibration types can be identified from their frequency and by considering vibration amplitudes in the horizontal and vertical channels of the AFM at different laser spot positions on the cantilever. For identifying contact resonance vibrational modes, we also consider the sensitivity of the resonant frequencies to a change in applied force and hence to tip-sample contact stiffness. Finally, we assess how existing analytical models can be used to accurately predict contact stiffness from contact-resonance HT-AFM results. A simple two-parameter Euler-Bernoulli beam model provided good agreement with FEA for in-phase modes up to a contact stiffness 500 times the cantilever spring constant. By providing insight into cantilever vibrations and exploring the potential of current analysis techniques, our results lay the groundwork

  18. Vibrational, mechanical and thermodynamical properties of RE2Ti2O7 (RE = Sm, Gd, Dy, Ho, Er and Yb) pyrochlores (United States)

    Kushwaha, A. K.


    Vibrational, mechanical, thermodynamical properties and thermal conductivities of RE2Ti2O7 (RE = Sm, Gd, Dy, Ho, Er and Yb) pyrochlores have been calculated using a proposed eight-parameter bond-bending force constant model. The main outcome of present calculation is that the first neighbor interaction (Ti-O) is stronger than the second neighbor interactions (RE-O). This means that the bonding between Ti and O is more ionic than the one between RE and O. It is also found that the bond strength of RE-O and the bulk modulus decrease in the sequence Sm > Gd > Dy > Ho > Er > Yb. The bulk moduli and Young’s moduli of RE2Ti2O7 also decrease when RE changes from Sm to Yb.

  19. Vertical Random Vibration Analysis of Track-Subgrade Coupled System in High Speed Railway with Pseudoexcitation Method

    Directory of Open Access Journals (Sweden)

    Xinwen Yang


    Full Text Available In order to reduce the ground-borne vibration caused by wheel/rail interaction in the ballastless track of high speed railways, viscoelastic asphalt concrete materials are filled between the track and the subgrade to attenuate wheel/rail force. A high speed train-track-subgrade vertical coupled dynamic model is developed in the frequency domain. In this model, coupling effects between the vehicle and the track and between the track and the subgrade are considered. The full vehicle is represented by some rigid body models of one body, two bogies, and four wheelsets connected to each other with springs and dampers. The track and subgrade system is considered as a multilayer beam model in which layers are connected to each other with springs and damping elements. The vertical receptance of the rail is discussed and the receptance contribution of the wheel/rail interaction is investigated. Combined with the pseudoexcitation method, a solution of the random dynamic response is presented. The random vibration responses and transfer characteristics of the ballastless track and subgrade system are obtained under track random irregularity when a high speed vehicle runs through. The influences of asphalt concrete layer’s stiffness and vehicle speed on track and subgrade coupling vibration are analyzed.

  20. Layer-number dependent high-frequency vibration modes in few-layer transition metal dichalcogenides induced by interlayer couplings (United States)

    Tan, Qing-Hai; Zhang, Xin; Luo, Xiang-Dong; Zhang, Jun; Tan, Ping-Heng


    Two-dimensional transition metal dichalcogenides (TMDs) have attracted extensive attention due to their many novel properties. The atoms within each layer in two-dimensional TMDs are joined together by covalent bonds, while van der Waals interactions combine the layers together. This makes its lattice dynamics layer-number dependent. The evolutions of ultralow frequency ( 50 cm-1) vibration modes in few-layer TMDs and demonstrate how the interlayer coupling leads to the splitting of high-frequency vibration modes, known as Davydov splitting. Such Davydov splitting can be well described by a van der Waals model, which directly links the splitting with the interlayer coupling. Our review expands the understanding on the effect of interlayer coupling on the high-frequency vibration modes in TMDs and other two-dimensional materials. Project supported by the National Basic Research Program of China (No. 2016YFA0301200), the National Natural Science Foundation of China (Nos. 11225421, 11474277, 11434010, 61474067, 11604326, 11574305 and 51527901), and the National Young 1000 Talent Plan of China.

  1. 3R and 2H polytypes of MoS2: DFT and DFPT calculations of structural, optoelectronic, vibrational and thermodynamic properties (United States)

    Coutinho, S. S.; Tavares, M. S.; Barboza, C. A.; Frazão, N. F.; Moreira, E.; Azevedo, David L.


    We report the results of a theoretical study on the behavior of the structural, optoelectronic, vibrational, including infrared and Raman theoretical spectra, phonon spectrum, and thermodynamic properties of 3R- and 2H- polytypes of molybdenum disulfide (MoS2) using density functional theory (DFT) considering both the local density and generalized gradient approximation, LDA and GGA, respectively. Calculated lattice parameters are close to the experimental measurements, and an indirect band gap E(A →KΓ) = 1.33 eV (0.68 eV) was obtained within the GGA (LDA) level of calculation, considering the 3R-polytype, and for the 2H- polytype an indirect band gap E(Γ → KΓ) = 1.30 eV (0.70 eV) was obtained within the GGA (LDA) approximation. The complex dielectric function and absorption of 3R-MoS2 and 2H-MoS2 polytypes were shown to be sensitive to the plane of polarization of the incident light. The phonon dispersion relation together with density of states (DOS) as well as theoretical peaks of the infrared (IR) and Raman spectra in the frequency range of 0-800 cm-1 was analyzed and assigned, considering the norm-conserved pseudopotentials. The thermodynamic potentials, the specific heat at constant volume and Debye temperature of the 3R-MoS2 and 2H-MoS2 polytypes are also calculated, whose dependence on the temperature are discussed.

  2. Dimerization of quercetin, Diels-Alder vs. radical-coupling approach: a joint thermodynamics, kinetics, and topological study. (United States)

    Fourré, Isabelle; Di Meo, Florent; Podloucká, Pavlína; Otyepka, Michal; Trouillas, Patrick


    Quercetin is a prototypical antioxidant and prominent member of flavonoids, a large group of natural polyphenols. The oxidation of quercetin may lead to its dimerization, which is a paradigm of the more general polyphenol oligomerization. There exist two opposing mechanisms to describe the dimerization process, namely radical-coupling or Diels-Alder reactions. This work presents a comprehensive rationalization of this dimerization process, acquired from density functional theory (DFT) calculations. It is found that the two-step radical-coupling pathway is thermodynamically and kinetically preferred over the Diels-Alder reaction. This is in agreement with the experimental results showing the formation of only one isomer, whereas the Diels-Alder mechanism would yield two isomers. The evolution in bonding, occurring during these two processes, is investigated using the atoms in molecules (AIM) and electron localization function (ELF) topological approaches. It is shown that some electron density is accumulated between the fragments in the transition state of the radical-coupling reaction, but not in the transition state of the Diels-Alder process. Graphical Abstract Quantum chemistry calculations of the dimerization process of quercetin show that a radical coupling approach is preferred to a Diels-Alder type reaction, in agreement with experimental results. Analysis of the bonding evolution highlights the reaction mechanism.

  3. Optimization of hoisting parameters in a multi-rope friction mine hoist based on the multi-source coupled vibration characteristics of hoisting catenaries

    National Research Council Canada - National Science Library

    Yao, Jiannan; Deng, Yong; Xiao, Xingming


    To avoid catenary collision in a multi-rope friction mine hoist, in this study, the relevant hoisting parameters based on the multi-source coupled vibration characteristics of hoisting catenaries are optimized...

  4. Low-frequency, broadband vibration energy harvester using coupled oscillators and frequency up-conversion by mechanical stoppers (United States)

    Dechant, Eduard; Fedulov, Feodor; Chashin, Dmitrii V.; Fetisov, Leonid Y.; Fetisov, Yuri K.; Shamonin, Mikhail


    The frequencies of ambient vibrations are often low (below 30 Hz). A broadband (3 dB bandwidth is larger than 10 Hz at an acceleration amplitude of 9.81 m s-2) vibration based energy harvester is proposed for transducing mechanical energy at such low frequencies into electrical energy. The mechanical setup converts low frequency mechanical vibrations into high frequency resonance oscillations of the transducer. This conversion is done by mechanical impacts on two mechanical stoppers. The originality of the presented design is that both low-frequency and high-frequency oscillators are permanently mechanically coupled. In the equivalent mechanical circuit, this coupling is achieved by connecting the ends of the stiff spring to both seismic masses, whereas one seismic mass (collison member) is also attached to the soft spring used as the constitutive element of a low-frequency oscillator. Further, both mechanical oscillators are not realized as conventional cantilever beams. In particular, the high frequency oscillator with the natural frequency of 340 Hz is a disc-shaped diaphragm with attached piezoelectric elements and a seismic mass. It is shown that it is possible to convert mechanical vibrations with acceleration amplitude of 9.81 m s-2 in the region between approximately 7 and 25 Hz into electrical power larger than 0.1 mW with the maximum value of 0.8 mW. A simplified mathematical model based on piecewise linear coupled oscillators shows good agreement with experimental results. The ways to enhance the performance of the harvester and improve agreement with experiments are discussed.

  5. Mechanisms of molecular electronic rectification through electronic levels with strong vibrational coupling

    DEFF Research Database (Denmark)

    Kuznetsov, A.M.; Ulstrup, Jens


    , corresponding to the fully diabatic limit. The rectification process then reduces to a sequence of vibrationally relaxed single-electron transfer steps. In the limits where the interactions are strong, denoted as the partially and fully adiabatic limits, the character of the rectification process is different......, and electron flow proceeds coherently, without vibrational relaxation. In still another class of mechanisms the electronic level broadening of either donor or acceptor from the adjacent electrode is so strong that it is comparable to the vibrational broadening. The process then reduces to a three...

  6. Control of Rotor-Blade Coupled Vibrations Using Shaft-Based Actuation

    DEFF Research Database (Denmark)

    Christensen, Rene H.; Santos, Ilmar


    When implementing active control into bladed rotating machines aiming at reducing blade vibrations, it can be shown that blade as well as rotor vibrations can in fact be controlled by the use of only shaft-based actuation. Thus the blades have to be deliberately mistuned. This paper investigates...... of modal controllability and observability converge toward steady levels as the degree of mistuning is increased. Finally, experimental control results are presented to prove the theoretical conclusions and to show the feasibility of controlling rotor and blade vibrations by means of shaft-based actuation...

  7. A spreadsheet-coupled SOLGAS: A computerized thermodynamic equilibrium calculation tool. Revision 1

    Energy Technology Data Exchange (ETDEWEB)

    Trowbridge, L.D.; Leitnaker, J.M. [Oak Ridge K-25 Site, TN (United States). Technical Analysis and Operations Div.


    SOLGAS, an early computer program for calculating equilibrium in a chemical system, has been made more user-friendly, and several ``bells and whistles`` have been added. The necessity to include elemental species has been eliminated. The input of large numbers of starting conditions has been automated. A revised spreadsheet-based format for entering data, including non-ideal binary and ternary mixtures, simplifies and reduces chances for error. Calculational errors by SOLGAS are flagged, and several programming errors are corrected. Auxiliary programs are available to assemble and partially automate plotting of large amounts of data. Thermodynamic input data can be changed on line. The program can be operated with or without a co-processor. Copies of the program, suitable for the IBM-PC or compatibles with at least 384 bytes of low RAM, are available from the authors. This user manual contains appendices with examples of the use of SOLGAS. These range from elementary examples, such as, the relationships among water, ice, and water vapor, to more complex systems: phase diagram calculation of UF{sub 4} and UF{sub 6} system; burning UF{sub 4} in fluorine; thermodynamic calculation of the Cl-F-O-H system; equilibria calculations in the CCl{sub 4}--CH{sub 3}OH system; and limitations applicable to aqueous solutions. An appendix also contains the source code.

  8. Investigating vibrational anharmonic couplings in cyanide-bridged transition metal mixed valence complexes using two-dimensional infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Slenkamp, Karla M.; Lynch, Michael S.; Van Kuiken, Benjamin E.; Brookes, Jennifer F.; Bannan, Caitlin C.; Daifuku, Stephanie L.; Khalil, Munira, E-mail: [Department of Chemistry, University of Washington, Box 351700, Seattle, Washington 98195 (United States)


    Using polarization-selective two-dimensional infrared (2D IR) spectroscopy, we measure anharmonic couplings and angles between the transition dipole moments of the four cyanide stretching (ν{sub CN}) vibrations found in [(NH{sub 3}){sub 5}Ru{sup III}NCFe{sup II}(CN){sub 5}]{sup −} (FeRu) dissolved in D{sub 2}O and formamide and [(NC){sub 5}Fe{sup II}CNPt{sup IV}(NH{sub 3}){sub 4}NCFe{sup II}(CN){sub 5}]{sup 4−} (FePtFe) dissolved in D{sub 2}O. These cyanide-bridged transition metal complexes serve as model systems for studying the role of high frequency vibrational modes in ultrafast photoinduced charge transfer reactions. Here, we focus on the spectroscopy of the ν{sub CN} modes in the electronic ground state. The FTIR spectra of the ν{sub CN} modes of the bimetallic and trimetallic systems are strikingly different in terms of frequencies, amplitudes, and lineshapes. The experimental 2D IR spectra of FeRu and FePtFe and their fits reveal a set of weakly coupled anharmonic ν{sub CN} modes. The vibrational mode anharmonicities of the individual ν{sub CN} modes range from 14 to 28 cm{sup −1}. The mixed-mode anharmonicities range from 2 to 14 cm{sup −1}. In general, the bridging ν{sub CN} mode is most weakly coupled to the radial ν{sub CN} mode, which involves the terminal CN ligands. Measurement of the relative transition dipole moments of the four ν{sub CN} modes reveal that the FeRu molecule is almost linear in solution when dissolved in formamide, but it assumes a bent geometry when dissolved in D{sub 2}O. The ν{sub CN} modes are modelled as bilinearly coupled anharmonic oscillators with an average coupling constant of 6 cm{sup −1}. This study elucidates the role of the solvent in modulating the molecular geometry and the anharmonic vibrational couplings between the ν{sub CN} modes in cyanide-bridged transition metal mixed valence complexes.

  9. Observation of two coupled Faraday waves in a vertically vibrating Hele-Shaw cell with one of them oscillating horizontally

    CERN Document Server

    Li, Xiaochen; Liao, Shijun


    A system of two-dimensional, two coupled Faraday interfacial waves is experimentally observed at the two interfaces of the three layers of fluids (air, pure ethanol and silicon oil) in a sealed Hele-Shaw cell with periodic vertical vibration. The upper and lower Faraday waves coexist: the upper vibrates vertically, but the crests of the lower one oscillate horizontally with unchanged wave height and a frequency equal to the half of the forcing one of the vertically vibrating basin, while the troughs of the lower one always stay in the same place (relative to the basin). Besides, they are strongly coupled: the wave height of the lower Faraday wave is either a linear function (in the case of a fixed forcing frequency) or a parabolic function (in the case of a fixed acceleration amplitude) of that of the upper, with the same wave length. In addition, the upper Faraday wave temporarily loses its smoothness at around $t=T/4$ and $t=3T/4$, where $T$ denotes the wave period, and thus has fundamental difference from ...

  10. Methodology for Analysing Controllability and Observability of Bladed Disc Coupled Vibrations

    DEFF Research Database (Denmark)

    Christensen, Rene Hardam; Santos, Ilmar


    and observability of bladed discs. The aim is to determine where to locate actuators and sensors in order to be capable of controlling and monitoring both disc lateral and blade vibrations. The analysis methodology is based on the time-variant modal analysis. A numerical example of the methodogy is provided....... A tuned rotating bladed disc is analysed. The analysis shows that blade actuators and sensors are inevitable in order to control and monitor the vibrations. Moreover, it shows that the controllability and observability depends very strongly on the rotational speed.......Many bladed rotating machines such as helicopters, turbines and compressors are susceptible to blade faults due to vibration problems. Typically, blade vibrations in this kind of machines are suppressed by using passive mechanical components. However, when passive control techniques...

  11. A coupled dynamic-thermodynamic model of an ice-ocean system in the marginal ice zone (United States)

    Hakkinen, Sirpa


    Thermodynamics are incorporated into a coupled ice-ocean model in order to investigate wind-driven ice-ocean processes in the marginal zone. Upswelling at the ice edge which is generated by the difference in the ice-air and air-water surface stresses is found to give rise to a strong entrainment by drawing the pycnocline closer to the surface. Entrainment is shown to be negligible outside the areas affected by the ice edge upswelling. If cooling at the top is included in the model, the heat and salt exchanges are further enhanced in the upswelling areas. It is noted that new ice formation occurs in the region not affected by ice edge upswelling, and it is suggested that the high-salinity mixed layer regions (with a scale of a few Rossby radii of deformation) will overturn due to cooling, possibly contributing to the formation of deep water.

  12. Modeling of coupled thermodynamic and geomechanical performance of underground compressed air energy storage in lined rock caverns

    Energy Technology Data Exchange (ETDEWEB)

    Rutqvist, Jonny; Kim, Hyung-Mok; Ryu, Dong-Woo; Synn, Joong-Ho; Song, Won-Kyong


    We applied coupled nonisothermal, multiphase fluid flow and geomechanical numerical modeling to study the coupled thermodynamic and geomechanical performance of underground compressed air energy storage (CAES) in concrete-lined rock caverns. The paper focuses on CAES in lined caverns at relatively shallow depth (e.g., 100 m depth) in which a typical CAES operational pressure of 5 to 8 MPa is significantly higher than both ambient fluid pressure and in situ stress. We simulated a storage operation that included cyclic compression and decompression of air in the cavern, and investigated how pressure, temperature and stress evolve over several months of operation. We analyzed two different lining options, both with a 50 cm thick low permeability concrete lining, but in one case with an internal synthetic seal such as steel or rubber. For our simulated CAES system, the thermodynamic analysis showed that 96.7% of the energy injected during compression could be recovered during subsequent decompression, while 3.3% of the energy was lost by heat conduction to the surrounding media. Our geomechanical analysis showed that tensile effective stresses as high as 8 MPa could develop in the lining as a result of the air pressure exerted on the inner surface of the lining, whereas thermal stresses were relatively smaller and compressive. With the option of an internal synthetic seal, the maximum effective tensile stress was reduced from 8 to 5 MPa, but was still in substantial tension. We performed one simulation in which the tensile tangential stresses resulted in radial cracks and air leakage though the lining. This air leakage, however, was minor (about 0.16% of the air mass loss from one daily compression) in terms of CAES operational efficiency, and did not significantly impact the overall energy balance of the system. However, despite being minor in terms of energy balance, the air leakage resulted in a distinct pressure increase in the surrounding rock that could be

  13. Coupling system dynamics and contact behaviour: Modelling bearings subjected to environmental induced vibrations and ‘false brinelling’ degradation (United States)

    Massi, Francesco; Rocchi, J.; Culla, A.; Berthier, Y.


    During the last decades the increase in power of mechanical systems and the demand for increasing service life leads mechanical components of a system to work in extreme conditions. Moreover, actual mechanical systems include surfaces in sliding contact that are subjected to wear if exposed to high vibration. In fact, the vibration of components in contact results in large oscillations of the local contact stresses, due to the local deformation of the components at the contact interfaces. To approach correctly tribological problems, the coupling between the scale of the mechanism (system dynamics) and the scale of the contact needs to be accounted for. This paper presents an analysis concerning the influence of the vibrations induced by aircraft engines on the contact stresses of rolling bearings of the bleed system valves. To study the wear, resulting from false brinelling at the contact surfaces between balls and races of the bearings, it is then necessary to determine the forces due to the system vibrations and acting at the bearing connections with the structure. In order to perform a numerical transient analysis of the system dynamics a nonlinear simplified model of the valve (mechanism scale) is developed. The model is validated by comparing the numerical results with experimental tests. The time behaviour of the global forces on the bearings, and the respective displacements between the contact surfaces, are then used as inputs for a finite element model of the bearings (contact scale). The model is used to calculate and analyze the behaviour in time of the local contact constraints between race and balls. This analysis, developed in the framework of a European project, is an example of the proposed general approach to contact problems, by coupling the analysis of the mechanism and contact scales.

  14. Influences of quantum mechanically mixed electronic and vibrational pigment states in 2D electronic spectra of photosynthetic systems: Strong electronic coupling cases

    CERN Document Server

    Fujihashi, Yuta; Ishizaki, Akihito


    In 2D electronic spectroscopy studies, long-lived quantum beats have recently been observed in photosynthetic systems, and it has been suggested that the beats are produced by quantum mechanically mixed electronic and vibrational states. Concerning the electronic-vibrational quantum mixtures, the impact of protein-induced fluctuations was examined by calculating the 2D electronic spectra of a weakly coupled dimer with vibrational modes in the resonant condition [J. Chem. Phys. 142, 212403 (2015)]. This analysis demonstrated that quantum mixtures of the vibronic resonance are rather robust under the influence of the fluctuations at cryogenic temperatures, whereas the mixtures are eradicated by the fluctuations at physiological temperatures. However, this conclusion cannot be generalized because the magnitude of the coupling inducing the quantum mixtures is proportional to the inter-pigment coupling. In this study, we explore the impact of the fluctuations on electronic-vibrational quantum mixtures in a strongl...

  15. Coupled thermal, structural and vibrational analysis of a hypersonic engine for flight test

    Energy Technology Data Exchange (ETDEWEB)

    Sook-Ying, Ho [Defence Science and Technology Organisation, SA (Australia); Paull, A. [Queensland Univ., Dept. of Mechanical Engineering (Australia)


    This paper describes a relatively simple and quick method for implementing aerodynamic heating models into a finite element code for non-linear transient thermal-structural and thermal-structural-vibrational analyses of a Mach 10 generic HyShot scram-jet engine. The thermal-structural-vibrational response of the engine was studied for the descent trajectory from 60 to 26 km. Aerodynamic heating fluxes, as a function of spatial position and time for varying trajectory points, were implemented in the transient heat analysis. Additionally, the combined effect of varying dynamic pressure and thermal loads with altitude was considered. This aero-thermal-structural analysis capability was used to assess the temperature distribution, engine geometry distortion and yielding of the structural material due to aerodynamic heating during the descent trajectory, and for optimising the wall thickness, nose radius of leading edge, etc. of the engine intake. A structural vibration analysis was also performed following the aero-thermal-structural analysis to determine the changes in natural frequencies of the structural vibration modes that occur at the various temperatures associated with the descent trajectory. This analysis provides a unique and relatively simple design strategy for predicting and mitigating the thermal-structural-vibrational response of hypersonic engines. (authors)

  16. Study of coupling between bending and torsional vibration of cracked rotor system supported by radial active magnetic bearings

    Directory of Open Access Journals (Sweden)

    Ferfecki P.


    Full Text Available The coupling of bending and torsional vibration due to the presence of transverse fatigue crack in a rotor system supported by radial active magnetic bearings (AMB is investigated. For this purpose the modified stiffness matrix with six degrees of freedom per node is used and takes into account all the coupling phenomena that exists in a cracked rotor. The partial opening and closing of crack is considered by means of status of stress intensity factor along the crack edge. The equation of motion of rotor system is nonlinear due to response dependent non-linear breathing crack model and nonlinear force coupling introduced by AMB. A response of the rotor system is obtained by direct integration of nonlinear equation of motion. When the torsional harmonic excitation is applied to the rotor system with the crack then the sum and difference of torsional frequency around a bending natural frequency is observed in the lateral vibration spectrum. Influence of different values of crack parametersfor two different speeds of rotor is investigated with help of frequency spectra.

  17. Coupled Boundary and Finite Element Analysis of Vibration from Railway Tunnels

    DEFF Research Database (Denmark)

    Andersen, Lars; Jones, C. J. C.


    The analysis of vibration from railway tunnels is of growing interest as new and higher-speed railways are built under the ground to address the transport problems of growing modern urban areas around cities. Such analysis can be carried out using numerical methods but models and therefore...... axis, it is useful to evaluate the potential uses of two-dimensional models before committing to much more costly three-dimensional approaches. The vibration forces in the track due to the passage of a train are by nature three-dimensional and a complete analysis undoubtedly requires a model of three......-dimensional wave propagation. The aim of this paper is to investigate the quality of the information that can be gained from a two-dimensional model of a railway tunnel. The vibration transmission from the tunnel floor to the ground surface is analysed for the frequency range relevant to the perception of whole...

  18. General formalism of local thermodynamics with an example: Quantum Otto engine with a spin-1 /2 coupled to an arbitrary spin (United States)

    Altintas, Ferdi; Müstecaplıoǧlu, Ã.-zgür E.


    We investigate a quantum heat engine with a working substance of two particles, one with a spin-1 /2 and the other with an arbitrary spin (spin s ), coupled by Heisenberg exchange interaction, and subject to an external magnetic field. The engine operates in a quantum Otto cycle. Work harvested in the cycle and its efficiency are calculated using quantum thermodynamical definitions. It is found that the engine has higher efficiencies at higher spins and can harvest work at higher exchange interaction strengths. The role of exchange coupling and spin s on the work output and the thermal efficiency is studied in detail. In addition, the engine operation is analyzed from the perspective of local work and efficiency. We develop a general formalism to explore local thermodynamics applicable to any coupled bipartite system. Our general framework allows for examination of local thermodynamics even when global parameters of the system are varied in thermodynamic cycles. The generalized definitions of local and cooperative work are introduced by using mean field Hamiltonians. The general conditions for which the global work is not equal to the sum of the local works are given in terms of the covariance of the subsystems. Our coupled spin quantum Otto engine is used as an example of the general formalism.

  19. On the dependence of hindcast skill on ocean thermodynamics in a coupled ocean-atmosphere model

    Energy Technology Data Exchange (ETDEWEB)

    Kleeman, R. (Bureau of Meteorology Research Centre, Melbourne (Australia))


    Three different mechanisms for the generation of ENSO SST anomalies within a simplified tropical Pacific Ocean model are examined: thermocline depth changes, Ekman-induced upwelling anomalies, and zonal advection changes. The effect of varying the relative influence of these terms on the realism of tropical pacific coupled models is analyzed. The principal tool used to assess such realism is hindcast skill, with forced ocean and oscillatory behavior also being examined. Of the mechanisms considered, thermocline perturbations are shown to be crucially important for high coupled-model hindcast skills. Furthermore, it is concluded that the realism of the model (as measured by hindcast skill) deteriorates markedly when the influence on SST of Ekman upwelling becomes greater than a small fraction of the thermocline influence. This provides strong evidence for the hypothesis that Ekman upwelling anomalies (which are essentially a local response to wind stress anomalies) have only a small influence on the creation of real world SST anomalies. The implications of this latter point for coupled models involving ocean general circulation models is briefly discussed. It is also demonstrated that western boundary reflections provide a vital role by means of a negative feedback in ensuring realistic performance. The hindcast skill (as measured by NINO3 anomaly correlation) demonstrated by a model involving only the thermocline mechanism can be tuned to exceed that of the benchmark Cane and Zebiak model for hindcast lags up to 7 months (from 7 to 12 months the model skills are roughly equal). 47 refs., 32 figs.

  20. H2O Inner-Surface Interactions in Micro/Nanoporous Silicates: Thermodynamic Behavior and Low Energy Molecular Vibrations (United States)

    Geiger, C. A.; Paukov, I. E.; Kovalevskaya, Y. A.; Kolesov, B. A.


    Macroscopic thermodynamic and molecular-scale behavior related to silicate surface-fluid interactions in nature is complex and poorly understood. The study of confined H2O at inner surfaces in micro/ nanoporous silicates is helpful for understanding outer-surface interactions, because such phases offer simpler physicochemical systems for investigation. We are investigating the nature of H2O in various micro/nanoporous silicates. Low temperature calorimetric heat capacity (Cp) determinations have been made to determine thermodynamic behavior. Powder IR and polarized single-crystal Raman spectroscopy are used to investigate local features such as bonding and dynamics. In this report, Cp behavior and low energy external H2O modes related to van der Waals and/or hydrogen bonding at inner surfaces are emphasized. The first group of microporous silicates that includes cordierite, Mg2Al4Si5O18· xH2O, and beryl, Be2Al3Si6O18· xH2O, where x = 0 to 1, can hold single H2O molecules in small structural microcavities and exchange them with the environment with no change in volume. The Cp behavior of the confined H2O, which is characterized by weak van der Waals forces to the aluminosilicate framework, is roughly similar to that of steam at T > 100 K up to moderate T's. Cp is greater than that for ice at T zeolites (those studied are bikitaite Li2[Al2Si4O12]·2H2O, natrolite - Na16[Al16Si24O80]·16H2O, scolecite - Ca8[Al16Si24O80]·24H2O, gmelinite - (Na2,Ca)[Al2Si4O12]·6H2O) are strongly hydrophilic and their intrachannel H2O molecules are hydrogen bonded. Zeolites show measurable changes in volume with loss or gain of H2O. The Cp behavior of H2O in natrolite is similar to that for ice at T 100 K and also for H2O in cordierite at T > 250 K. At 298 K, T(H2O) modes between 45 and 180 cm-1 occur in natrolite and scolecite. Gmelinite shows similar Cp behavior at T zeolites with increasing T indicates a change in hydrogen-bonding behavior from more "ice-like" to increasing

  1. Using Fixed-Node Diffusion Monte Carlo to Probe Rotation-Vibration Coupling in Highly Fluxional Asymmetric Top Molecules (United States)

    Petit, Andrew S.; Wellen, Bethany A.; McCoy, Anne B.


    Our group has developed a fixed-node Diffusion Monte Carlo (DMC) methodology that can be used to describe rotationally excited states of highly fluxional symmetric top molecules. This technique has been thoroughly benchmarked using rotationally excited states of H_3^+, H_3O^+, and NH_3 with J≤12. Here, we report a recently developed extension of this methodology to asymmetric top molecules which undergo large amplitude, zero-point vibrational motion. The nodal surfaces used in the fixed-node DMC calculations are obtained from rigid-rotor wave functions calculated using the system's ground state vibrationally averaged rotational constants. The algorithms used to evaluate node crossing and re-crossing are generalized to account for the pronounced curvature exhibited by the nodal surfaces of asymmetric top molecules with κ ≈ 0 due to the strong mixing of two or more symmetric top basis functions. Finally, the insight that can be obtained from these calculations into the nature and strength of the vibration-rotation coupling present in highly fluxional asymmetric top molecules will be briefly discussed and further elaborated on in the following talk. A. S. Petit and A. B. McCoy, J. Phys. Chem. A 113, 12706 (2009). A. S. Petit, B. A. Wellen, and A. B. McCoy, J. Chem. Phys. 136, 074101 (2012).

  2. Analysis of bifurcation behavior of a piecewise linear vibrator with electromagnetic coupling for energy harvesting applications

    KAUST Repository

    El Aroudi, Abdelali


    Recently, nonlinearities have been shown to play an important role in increasing the extracted energy of vibration-based energy harvesting systems. In this paper, we study the dynamical behavior of a piecewise linear (PWL) spring-mass-damper system for vibration-based energy harvesting applications. First, we present a continuous time single degree of freedom PWL dynamical model of the system. Different configurations of the PWL model and their corresponding state-space regions are derived. Then, from this PWL model, extensive numerical simulations are carried out by computing time-domain waveforms, state-space trajectories and frequency responses under a deterministic harmonic excitation for different sets of system parameter values. Stability analysis is performed using Floquet theory combined with Filippov method, Poincaré map modeling and finite difference method (FDM). The Floquet multipliers are calculated using these three approaches and a good concordance is obtained among them. The performance of the system in terms of the harvested energy is studied by considering both purely harmonic excitation and a noisy vibrational source. A frequency-domain analysis shows that the harvested energy could be larger at low frequencies as compared to an equivalent linear system, in particular, for relatively low excitation intensities. This could be an advantage for potential use of this system in low frequency ambient vibrational-based energy harvesting applications. © 2014 World Scientific Publishing Company.

  3. Charge transport in DNA model with vibrational and rotational coupling motions

    National Research Council Canada - National Science Library

    Ngoubi, H; Ben-Bolie, G H; Kofané, T C


    The dynamics of the Peyrard-Bishop model for vibrational motion of DNA dynamics, which has been extended by taking into account the rotational motion for the nucleotides (Silva et al., J. Biol. Phys. 34, 511–519, 2018) is studied...

  4. Antidisturbance Vibration Suppression of the Aerial Refueling Hose during the Coupling Process

    Directory of Open Access Journals (Sweden)

    Zikang Su


    Full Text Available In autonomous aerial refueling (AAR, the vibration of the flexible refueling hose caused by the receiver aircraft’s excessive closure speed should be suppressed once it appears. This paper proposed an active control strategy based on the permanent magnet synchronous motor (PMSM angular control for the timely and accurate vibration suppression of the flexible refueling hose. A nonsingular fast terminal sliding-mode (NFTSM control scheme with adaptive extended state observer (AESO is proposed for PMSM take-up system under multiple disturbances. The states and the “total disturbance” of the PMSM system are firstly reconstituted using the AESO under the uncertainties and measurement noise. Then, a faster sliding variable with tracking error exponential term is proposed together with a special designed reaching law to enhance the global convergence speed and precision of the controller. The proposed control scheme provides a more comprehensive solution to rapidly suppress the flexible refueling hose vibration in AAR. Compared to other methods, the scheme can suppress the flexible hose vibration more fleetly and accurately even when the system is exposed to multiple disturbances and measurement noise. Simulation results show that the proposed scheme is competitive in accuracy, global rapidity, and robustness.

  5. Coupled Boundary and Finite Element Analysis of Vibration from Railway Tunnels

    DEFF Research Database (Denmark)

    Andersen, Lars; Jones, C.J.C.


    The analysis of vibration from railway tunnels is of growing interest as new and higher-speed railways are built under the ground to address the transport problems of growing modern urban areas around cities. Such analysis can be carried out using numerical methods but models and therefore comput...

  6. Quantum simulations of thermodynamic properties of strongly coupled quark-gluon plasma


    Filinov, V. S.; Ivanov, Yu. B.; Bonitz, M.; Levashov, P. R.; Fortov, V. E.


    A strongly coupled quark-gluon plasma (QGP) of heavy constituent quasi-particles is studied by a path-integral Monte-Carlo method. This approach is a quantum generalization of the model developed by Gelman, Shuryak and Zahed. It is shown that this method is able to reproduce the QCD lattice equation of state and also yields valuable insight into the internal structure of the QGP. The results indicate that the QGP reveals liquid-like rather than gas-like properties. At temperatures just above ...

  7. Balancing Vibrations at Harmonic Frequencies by Injecting Harmonic Balancing Signals into the Armature of a Linear Motor/Alternator Coupled to a Stirling Machine (United States)

    Holliday, Ezekiel S. (Inventor)


    Vibrations at harmonic frequencies are reduced by injecting harmonic balancing signals into the armature of a linear motor/alternator coupled to a Stirling machine. The vibrations are sensed to provide a signal representing the mechanical vibrations. A harmonic balancing signal is generated for selected harmonics of the operating frequency by processing the sensed vibration signal with adaptive filter algorithms of adaptive filters for each harmonic. Reference inputs for each harmonic are applied to the adaptive filter algorithms at the frequency of the selected harmonic. The harmonic balancing signals for all of the harmonics are summed with a principal control signal. The harmonic balancing signals modify the principal electrical drive voltage and drive the motor/alternator with a drive voltage component in opposition to the vibration at each harmonic.

  8. Numerical simulation of an elementary Vortex-Induced-Vibration problem by using fully-coupled fluid solid system computation

    Directory of Open Access Journals (Sweden)

    M Pomarède


    Full Text Available Numerical simulation of Vortex-Induced-Vibrations (VIV of a rigid circular elastically-mounted cylinder submitted to a fluid cross-flow has been extensively studied over the past decades, both experimentally and numerically, because of its theoretical and practical interest for understanding Flow-Induced-Vibrations (FIV problems. In this context, the present article aims to expose a numerical study based on fully-coupled fluid-solid computations compared to previously published work [34], [36]. The computational procedure relies on a partitioned method ensuring the coupling between fluid and structure solvers. The fluid solver involves a moving mesh formulation for simulation of the fluid structure interface motion. Energy exchanges between fluid and solid models are ensured through convenient numerical schemes. The present study is devoted to a low Reynolds number configuration. Cylinder motion magnitude, hydrodynamic forces, oscillation frequency and fluid vortex shedding modes are investigated and the “lock-in” phenomenon is reproduced numerically. These numerical results are proposed for code validation purposes before investigating larger industrial applications such as configurations involving tube arrays under cross-flows [4].

  9. Synchronization of two homodromy rotors installed on a double vibro-body in a coupling vibration system.

    Directory of Open Access Journals (Sweden)

    Pan Fang

    Full Text Available A new mechanism is proposed to implement synchronization of the two unbalanced rotors in a vibration system, which consists of a double vibro-body, two induction motors and spring foundations. The coupling relationship between the vibro-bodies is ascertained with the Laplace transformation method for the dynamics equation of the system obtained with the Lagrange's equation. An analytical approach, the average method of modified small parameters, is employed to study the synchronization characteristics between the two unbalanced rotors, which is converted into that of existence and the stability of zero solutions for the non-dimensional differential equations of the angular velocity disturbance parameters. By assuming the disturbance parameters that infinitely approach to zero, the synchronization condition for the two rotors is obtained. It indicated that the absolute value of the residual torque between the two motors should be equal to or less than the maximum of their coupling torques. Meanwhile, the stability criterion of synchronization is derived with the Routh-Hurwitz method, and the region of the stable phase difference is confirmed. At last, computer simulations are preformed to verify the correctness of the approximate solution of the theoretical computation for the stable phase difference between the two unbalanced rotors, and the results of theoretical computation is in accordance with that of computer simulations. To sum up, only the parameters of the vibration system satisfy the synchronization condition and the stability criterion of the synchronization, the two unbalanced rotors can implement the synchronization operation.

  10. Interplay of Exciton Coupling and Large-Amplitude Motions in the Vibrational Circular Dichroism Spectrum of Dehydroquinidine. (United States)

    Nicu, Valentin P; Domingos, Sérgio R; Strudwick, Benjamin H; Brouwer, Albert M; Buma, Wybren J


    A detailed analysis of the computed structure, energies, vibrational absorption (VA) and circular dichroism (VCD) spectra of 30 low-energy conformers of dehydroquinidine reveals the existence of families of pseudo-conformers, the structures of which differ mostly in the orientation of a single O-H bond. The pseudo-conformers in a family are separated by very small energy barriers (i.e., 1.0 kcal mol(-1) or smaller) and have very different VCD spectra. First, we demonstrate the unreliable character of the Boltzmann factors predicted with DFT. Then, we show that the large differences observed between the VCD spectra of the pseudo-conformers in a family are caused by large-amplitude motions involving the O-H bond, which trigger the appearance/disappearance of strong VCD exciton-coupling bands in the fingerprint region. This interplay between exciton coupling and large-amplitude-motion phenomena demonstrates that when dealing with flexible molecules with polar bonds, vibrational averaging of VCD spectra should not be neglected. In this regard, the dehydroquinidine molecule considered here is expected to be a typical example and not the exception to the rule. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Enzyme oscillation can enhance the thermodynamic efficiency of cellular metabolism: Consequence of anti-phase coupling between reaction flux and affinity

    CERN Document Server

    Himeoka, Yusuke


    Cells generally convert nutrient resources to useful products via energy transduction. Accordingly, the thermodynamic efficiency of this conversion process is one of the most essential characteristics of living organisms. However, although these processes occur under conditions of dynamic metabolism, most studies of cellular thermodynamic efficiency have been restricted to examining steady states; thus, the relevance of dynamics to this efficiency has not yet been elucidated. Here, we develop a simple model of metabolic reactions with anabolism-catabolism coupling catalysed by enzymes. Through application of external oscillation in the enzyme abundances, the thermodynamic efficiency of metabolism was found to be improved. This result is in strong contrast with that observed in the oscillatory input, in which the efficiency always decreased with oscillation. This improvement was effectively achieved by separating the anabolic and catabolic reactions, which tend to disequilibrate each other, and taking advantag...

  12. Dynamic and Thermodynamic Evolution of Indian Monsoon Onset in the Initialized Coupled Seasonal Forecasting Model of the UK Met Office (United States)

    Menon, A.; Turner, A. G.; Martin, G.


    The Indian summer monsoon onset and evolution has major socioeconomic impacts on the population of the country as more than 60% of agriculture in India is rainfed. Understanding and predicting the Indian monsoon onset and progression remains a challenge to the modelling community. In this study we use hindcast simulations from the Met Office fully coupled atmosphere-ocean Global Seasonal Forecast System 5 (GloSea5) to examine the monsoon onset and progression over India. The GloSea5 simulations are produced for three different start dates, one in late April and two in early May, and both the atmosphere and ocean are initialized. We use common objective indices based on circulation and wind shear to determine the onset date over India and find that the dynamic indices obtained from GloSea5 hindcasts are consistent with that from the ERA-Interim reanalysis dataset. GloSea5 is also very effective in capturing the spatial pattern of the monsoon rainfall progression following the onset. We next analyse the composite evolution of various dynamic and thermodynamic fields associated with these indices, focusing on recent findings suggesting the importance of dry air incursions above the surface from the northwest. We further extend our analysis by using the Met Office Unified Model nesting suite with updated forcing datasets to examine the sensitivity of the model to a range of horizontal resolutions in simulating the onset and progression of 2016 Indian monsoon.

  13. Structural vibration and acoustic radiation of coupled propeller-shafting and submarine hull system due to propeller forces (United States)

    Qu, Yegao; Su, Jinpeng; Hua, Hongxing; Meng, Guang


    This paper investigates the structural and acoustic responses of a coupled propeller-shafting and submarine pressure hull system under different propeller force excitations. The entire system, which consists of a rigid propeller, a main shaft, two bearings and an orthogonally stiffened pressure hull, is submerged in a heavy fluid. The shaft is elastically connected to the pressure hull by a radial bearing and a thrust bearing. The theoretical model of the structural system is formulated based on a modified variational method, in which the propeller, the main shaft and the bearings are treated as a lumped mass, an elastic beam and spatially distributed spring-damper systems, respectively. The rings and stringers in the pressure hull are modeled as discrete structural elements. The acoustic field generated by the hull is calculated using a spectral Kirchhoff-Helmholtz integral formulation. A strongly coupled structure-acoustic interaction analysis is employed to achieve reasonable solutions for the coupled system. The displacement of the pressure hull and the sound pressure of the fluid are expanded in the form of a double mixed series using Fourier series and Chebyshev orthogonal polynomials, providing a flexible way for the present method to account for the individual contributions of circumferential wave modes to the vibration and acoustic responses of the pressure hull in an analytical manner. The contributions of different circumferential wave modes of the pressure hull to the structural and acoustic responses of the coupled system under axial, transversal and vertical propeller forces are investigated. Computed results are compared with those solutions obtained from the coupled finite element/boundary element method. Effects of the ring and the bearing stiffness on the acoustic responses of the coupled system are discussed.

  14. Energy flow analysis of out-of-plane vibration in coplanar coupled finite Mindlin plates

    Directory of Open Access Journals (Sweden)

    Young-Ho Park


    Full Text Available : In this paper, an Energy Flow Analysis (EFA for coplanar coupled Mindlin plates was performed to estimate their dynamic responses at high frequencies. Mindlin plate theory can consider the effects of shear distortion and rotatory inertia, which are very important at high frequencies. For EFA for coplanar coupled Mindlin plates, the wave transmission and reflection relationship for progressing out-of-plane waves (out-of-plane shear wave, bending dominant flexural wave, and shear dominant flexural wave in coplanar coupled Mindlin plates was newly derived. To verify the validity of the EFA results, numerical analyses were performed for various cases where coplanar coupled Mindlin plates are excited by a harmonic point force, and the energy flow solutions for coplanar coupled Mindlin plates were compared with the classical solutions in the various conditions.

  15. Coupled vibrations of a structure and fluid excited by pressure shocks. [BWR

    Energy Technology Data Exchange (ETDEWEB)

    Arros, J.


    The dynamic behavior of an axisymmetric boiling water reactor suppression pool structure and the embedded water under the excitation of the pressure waves from collapsing steam bubbles was studied with a finite element model. The structure was analyzed with thin shell elements. The fluid volume is divided into isoparametric quadrilateral toroidal elements with pressure as the nodal parameter. A water source element was utilized to model the pressure shock excitation. Nonaxisymmetric pressure loads and vibration modes were expressed as a Fourier series in the circumferential coordinate. The system of equations for the structure and fluid was integrated in time using the central difference scheme.

  16. Coupled transverse and torsional vibrations in a mechanical system with two identical beams (United States)

    Vlase, S.; Marin, M.; Scutaru, M. L.; Munteanu, R.


    The paper aims to study a plane system with bars, with certain symmetries. Such problems can be encountered frequently in industry and civil engineering. Considerations related to the economy of the design process, constructive simplicity, cost and logistics make the use of identical parts a frequent procedure. The paper aims to determine the properties of the eigenvalues and eigenmodes for transverse and torsional vibrations of a mechanical system where two of the three component bars are identical. The determination of these properties allows the calculus effort and the computation time and thus increases the accuracy of the results in such matters.

  17. Nonequilibrium electron-vibration coupling and conductance fluctuations in a C60 junction

    DEFF Research Database (Denmark)

    Ulstrup, Søren; Frederiksen, Thomas; Brandbyge, Mads


    We investigate chemical bond formation and conductance in a molecular C60 junction under finite bias voltage using first-principles calculations based on density functional theory and nonequilibrium Green's functions (DFT-NEGF). At the point of contact formation we identify a remarkably strong...... displacement. Combined with a vibrational heating mechanism we construct a model from our results that explain the polarity-dependent two-level conductance fluctuations observed in recent scanning tunneling microscopy (STM) experiments [N. Ne´el et al., Nano Lett. 11, 3593 (2011)]. These findings highlight...

  18. Coupled transverse and torsional vibrations in a mechanical system with two identical beams

    Directory of Open Access Journals (Sweden)

    S. Vlase


    Full Text Available The paper aims to study a plane system with bars, with certain symmetries. Such problems can be encountered frequently in industry and civil engineering. Considerations related to the economy of the design process, constructive simplicity, cost and logistics make the use of identical parts a frequent procedure. The paper aims to determine the properties of the eigenvalues and eigenmodes for transverse and torsional vibrations of a mechanical system where two of the three component bars are identical. The determination of these properties allows the calculus effort and the computation time and thus increases the accuracy of the results in such matters.

  19. A microscopic approach based on particle-vibration coupling: application to charge-exchange transitions and multiplets in odd nuclei

    Directory of Open Access Journals (Sweden)

    Colò Gianluca


    Full Text Available In this contribution, we shall describe a formalism that goes beyond the simple time-dependent mean field and is based on particle-vibration coupling (PVC. Such a formalism has been developed with the idea of being self-consistent. It makes use of Skyrme effective forces, and has been used for several applications. We will focus on charge-exchange transitions, namely we will show that our model describes well both the Gamow-Teller giant resonance width, and the low-lying transitions associated with β-decay. In this latter case, including PVC produces a significant improvement of the half-lives obtained at mean-field level, and leads to a good agreement with experimental data. We will end by discussing particle-phonon multiplets in odd nuclei.

  20. General formalism of local thermodynamics with an example: Quantum Otto engine with a spin-1/2 coupled to an arbitrary spin


    Müstecaplıoğlu, Özgür Esat; Altintas, Ferdi


    We investigate a quantum heat engine with a working substance of two particles, one with a spin-1/2 and the other with an arbitrary spin (spin s), coupled by Heisenberg exchange interaction, and subject to an external magnetic field. The engine operates in a quantum Otto cycle. Work harvested in the cycle and its efficiency are calculated using quantum thermodynamical definitions. It is found that the engine has higher efficiencies at higher spins and can harvest work at higher exchange inter...

  1. Effect of vibrating electrode on temperature profiles, fluid flow, and pool shape in ESR system based on a comprehensive coupled model

    Directory of Open Access Journals (Sweden)

    Fang Wang


    Full Text Available The vibrating electrode method was proposed in the electro-slag remelting (ESR process in this paper, and the effect of vibrating electrode on the solidification structure of ingot was studied. A transient three-dimensional (3D coupled mathematical model was established to simulate the electromagnetic phenomenon, fluid flow as well as pool shape in the ESR process with the vibrating electrode. The finite element volume method is developed to solve the electromagnetic field using ANSYS mechanical APDL software. Moreover, the electromagnetic force and Joule heating are interpolated as the source term of the momentum and energy equations. The multi-physical fields have been investigated and compared between the traditional electrode and the vibrating electrode in the ESR process. The results show that the drop process of metal droplets with the traditional electrode is scattered randomly. However, the drop process of metal droplets with the vibrating electrode is periodic. The highest temperature of slag layer with the vibrating electrode is higher than that with the traditional electrode, which can increase the melting rate due to the enhanced heat transfer in the vicinity of the electrode tip. The results also show that when the amplitude and frequency of the vibrating electrode increase, the cycle of drop process of metal droplets decreases significantly.

  2. Thermodynamic coupling between gradient elasticity and a Cahn-Hilliard type of diffusion: size-dependent spinodal gaps (United States)

    Tsagrakis, Ioannis; Aifantis, Elias C.


    In the electrode materials of lithium ion batteries, the large variations of Li concentration during the charge and discharge processes are often accompanied by phase separations to lithium-rich and lithium-poor states. In particular, when the composition of the material moves into the spinodal region (linearly unstable uniform compositions) or into the miscibility gap (metastable uniform compositions), it tends to decompose spontaneously under composition fluctuations. If the lattice mismatch of the two phases is not negligible, coherency strains arise affecting the decomposition process. Furthermore, when the dimensions of a specimen or a grain reduce down to the nanometer level, the phase transition mechanisms are also substantially influenced by the domain size. This size effect is interpreted in the present article by developing a thermodynamically consistent model of gradient elastodiffusion. The proposed formulation is based on the coupling of the standard Cahn-Hilliard type of diffusion and a simple gradient elasticity model that includes the gradient of volumetric strain in the expression of the Helmholtz free energy density. An initial boundary value problem is derived in terms of concentration and displacement fields, and linear stability analysis is employed to determine the contribution of concentration and strain gradient terms on the instability leading to spinodal decomposition. It is shown that the theoretical predictions are in accordance with the experimental trends, i.e., the spinodal concentration range shrinks (i.e., the tendency for phase separation is reduced) as the crystal size decreases. Moreover, depending on the interplay between the strain and the concentration gradient coefficients, the spinodal region can be completely suppressed below a critical crystal size. Spinodal characteristic length and time are also evaluated by considering the dominant instability mode during the primary stages of the decomposition process, and it is found

  3. Fully-Coupled Fluid/Structure Vibration Analysis Using MSC/NASTRAN (United States)

    Fernholz, Christian M.; Robinson, Jay H.


    MSC/NASTRAN's performance in the solution of fully-coupled fluid/structure problems is evaluated. NASTRAN is used to perform normal modes (SOL 103) and forced-response analyses (SOL 108, 111) on cylindrical and cubic fluid/structure models. Bulk data file cards unique to the specification of a fluid element are discussed and analytic partially-coupled solutions are derived for each type of problem. These solutions are used to evaluate NASTRAN's solutions for accuracy. Appendices to this work include NASTRAN data presented in fringe plot form, FORTRAN source code listings written in support of this work, and NASTRAN data file usage requirements for each analysis.

  4. Dynamic Model and Vibration Power Flow of a Rigid-Flexible Coupling and Harmonic-Disturbance Exciting System for Flexible Robotic Manipulator with Elastic Joints

    Directory of Open Access Journals (Sweden)

    Yufei Liu


    Full Text Available This paper investigates the dynamic of a flexible robotic manipulator (FRM which consists of rigid driving base, flexible links, and flexible joints. With considering the motion fluctuations caused by the coupling effect, such as the motor parameters and mechanism inertias, as harmonic disturbances, the system investigated in this paper remains a parametrically excited system. An elastic restraint model of the FRM with elastic joints (FRMEJ is proposed, which considers the elastic properties of the connecting joints between the flexible arm and the driving base, as well as the harmonic disturbances aroused by the electromechanical coupling effect. As a consequence, the FRMEJ accordingly remains a flexible multibody system which conveys the effects of rigid-flexible couple and electromechanical couple. The Lagrangian function and Hamilton’s principle are used to establish the dynamic model of the FRMEJ. Based on the dynamic model proposed, the vibration power flow is introduced to show the vibration energy distribution. Numerical simulations are conducted to investigate the effect of the joint elasticities and the disturbance excitations, and the influences of the structure parameters and motion parameters on the vibration power flow are studied. The results obtained in this paper contribute to the structure design, motion optimization, and vibration control of FRMs.

  5. Dynamics of coupled vibration modes in a quantum non-linear mechanical resonator

    NARCIS (Netherlands)

    Labadze, G.; Dukalski, M.S.; Blanter, Y.M.


    We investigate the behaviour of two non-linearly coupled flexural modes of a doubly clamped suspended beam (nanomechanical resonator). One of the modes is externally driven. We demonstrate that classically, the behavior of the non-driven mode is reminiscent of that of a parametrically driven

  6. Thermodynamical properties and thermoelastic coupling of complex macroscopic structure; Elastomeri proprieta` termodinamiche ed effetto termoelastico di una struttura complessa : teoria e prove termovisive sperimentali per una analisi di fattibilita`

    Energy Technology Data Exchange (ETDEWEB)

    Fabbri, M.; Sacripanti, A. [ENEA, Centro Ricerche Casaccia, Rome (Italy). Dip. Innovazione


    Gross qualitative/quantitative analysis about thermodynamical properties and thermoelastic coupling (or elastocaloric effect) of complex macroscopic structure (running shoes) is performed by infrared camera. The experimental results showed the achievability of a n industrial research project.

  7. Excess vibrational modes of a crystal in an external non-affine field

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 129; Issue 7. Excess vibrational ... While the former couples to external stress with familiar consequences, the response of a crystal when nonaffine displacements are enhanced using the thermodynamically conjugate field, is relatively less studied. We examine this ...

  8. MP4 Study of the Anharmonic Coupling of the Shared Proton Stretching Vibration of the Protonated Water Dimer in Equilibrium and Transition States. (United States)

    Pitsevich, G; Malevich, A; Kozlovskaya, E; Mahnach, E; Doroshenko, I; Pogorelov, V; Pettersson, Lars G M; Sablinskas, V; Balevicius, V


    The structure and harmonic and anharmonic IR spectra of the protonated water dimer (PWD) were calculated in C1, C2, and Cs symmetry at the MP4/acc-pVTZ level of theory. We found that structure and IR spectra are practically identical in C2 and C1 symmetry, demonstrating that an equilibrium C1 configuration of the PWD is not realized. Anharmonic coupling of the shared proton stretching vibration with all other modes in the PWD in C2 and Cs symmetry was the focus of this investigation. For this purpose, 28 two-dimensional potential energy surfaces (2D PES) were built at the MP4/acc-pVTZ level of theory and the corresponding vibrational Schrödinger equations were solved using the DVR method. Differences in the coupling of the investigated mode with other modes in the C2 and Cs configurations, along with some factors that determine the red- or blue-shift of the stretching vibration frequency, were analyzed. We obtained a rather reasonable value of the stretching frequency of the bridging proton (1058.4 cm(-1)) unperturbed by Fermi resonance. The Fermi resonance between the fundamental vibration ν7 and the combined vibration ν2 + ν6 of the same symmetry was analyzed through anharmonic second-order perturbation theory calculations, as well as by 3D PES constructed using Q2, Q6, and Q7 as normal coordinates. A significant (up to 50%) transfer of intensity from the fundamental vibration to the combined one was found. We have estimated the frequency of the bridging proton stretching vibration in the Cs configuration of the PWD based on calculations of the intrinsic anharmonicity and anharmonic double modes interactions at the MP4/acc-pVTZ level of theory (1261 cm(-1)).

  9. Strong Quantum Coupling in the Vibrational Signatures of a Symmetric Ionic Hydrogen Bond: The Case of (CH3OH)2H(.). (United States)

    Tan, Jake A; Kuo, Jer-Lai


    Vibrational coupling between proton and flanking group motions in the ionic hydrogen bond (IHB) of (CH3OH)2H(+) were studied by solving reduced-dimension vibrational Schrödinger equations. Potential energy and dipole surfaces along a few key normal modes were constructed with high-level ab initio methods. It was found that the IHB stretch parallel to O-O axis strongly couples with the out-of-phase C-O stretch and out-of-phase in-plane CH3 rock with COH deformation. Such strong quantum coupling leads to a complex triplet at 850-1100 cm(-1) region. Furthermore, we have investigated the possible active role of torsional motion in intensity redistribution.

  10. Interaction of Alzheimer's A beta peptide with an engineered binding protein--thermodynamics and kinetics of coupled folding-binding. (United States)

    Hoyer, Wolfgang; Härd, Torleif


    The oligomerization and aggregation of the amyloid-beta (A beta) peptide, a cleavage product of the amyloid precursor protein predominantly 40 or 42 amino acids in length, has been implicated in the pathogenesis of Alzheimer's disease. The identification of A beta-binding agents, e.g., antibodies or peptides, constitutes a promising therapeutic approach. However, the amount of structural and biophysical data on the underlying A beta interactions is currently very limited. We have earlier determined the structure of A beta (1-40) in complex with the affibody protein Z(A beta 3), a selected binding protein based on a three-helix bundle scaffold (Z domain). Z(A beta 3) is a dimer of affibody subunits linked via a disulfide bridge involving a selected cysteine mutation at position 28. Z(A beta 3) binds to the central and C-terminal part of A beta (residues 17-36), which adopts a beta-hairpin conformation in the complex. Here we present a detailed biophysical analysis of the Z(A beta 3):A beta (1-40) interaction, employing NMR, circular dichroism spectroscopy, 8-anilino-1-naphthalenesulfonic acid and tyrosine fluorescence, size-exclusion chromatography, thermal denaturation profiles and isothermal titration calorimetry. We conclude that (i) free Z(A beta 3) is characterized by conformational exchange and the loss of helix 1 of the three-helix bundle scaffold; (ii) a high-energy barrier is associated with the conversion of an initial Z(A beta 3):A beta (1-40) recognition complex into the native complex structure, entailing slow binding kinetics; (iii) both A beta and Z(A beta 3) fold upon binding, which, e.g., becomes manifest in the binding thermodynamics that feature a large negative change in heat capacity; (iv) the C28-disulfide does not merely afford dimerization, but its impact on the binding interfaces of the affibody subunits and A beta is a prerequisite for tight binding. The extensive folding coupled to binding observed here likely constitutes an obligate

  11. Vibrational circular dichroism (VCD), VCD exciton coupling, and X-ray determination of the absolute configuration of an α,β-unsaturated germacranolide. (United States)

    Sánchez-Castellanos, Mariano; Bucio, María A; Hernández-Barragán, Angelina; Joseph-Nathan, Pedro; Cuevas, Gabriel; Quijano, Leovigildo


    The absolute configuration of was deduced by vibrational circular dichroism together with the evaluation of the Flack and Hooft X-ray parameters. Vibrational circular dichroism exciton coupling, using the carbonyl group signals, confirmed the absolute configuration of . In addition, sodium borohydride reduction of the 11,13-double bond of 6-epi-desacetyllaurenobiolide () yields an almost equimolecular mixture of C11 epimers, while reduction of the same double bond of 6-epi-laurenobiolide () provided almost exclusively the (11S) diastereoisomer . © 2015 Wiley Periodicals, Inc.

  12. Coupled dynamics of vortex-induced vibration and stationary wall at low Reynolds number (United States)

    Li, Zhong; Jaiman, Rajeev K.; Khoo, Boo Cheong


    The flow past an elastically mounted circular cylinder placed in proximity to a plane wall is numerically studied in both two dimensions (2D) and three dimensions (3D). This paper aims to explain the mechanism of the cylinder bottom shear layer roll-up suppression in the context of laminar vortex-induced vibration (VIV) of a cylinder placed in the vicinity of a plane stationary wall. In 2D simulations, VIV of a near-wall cylinder with structure-to-displaced fluid mass ratios of m* = 2 and 10 is investigated at the Reynolds number of Re = 100 at a representative gap ratio of e/D = 0.90, where e denotes the gap distance between the cylinder surface and the plane wall. First, the cylinder is placed at five different upstream distances, LU, to study the effects of the normalized wall boundary layer thickness, δ /D , on the hydrodynamic quantities involved in the VIV of a near-wall cylinder. It is found that the lock-in range shifts towards the direction of the higher reduced velocity Ur as δ /D increases and that the lock-in range widens as m* reduces. Second, via visualization of the vortex shedding patterns, four different modes are classified and the regime maps are provided for both m* = 2 and 10. Third, the proper orthogonal decomposition analysis is employed to assess the cylinder bottom shear layer roll-up suppression mechanism. For 3D simulations at Re = 200, the circular cylinder of a mass ratio of m* = 10 with a spanwise length of 4D is placed at a gap ratio of e/D = 0.90 and an upstream distance of LU = 10D. The 3D vortex patterns are investigated to re-affirm the vortex shedding suppression mechanism. The pressure distributions around the cylinder are identified within one oscillation cycle of VIV. The pressure and the shear stress distributions on the bottom wall are examined to demonstrate the effects of near-wall VIV on the force distributions along the plane wall. It is found that both the suction pressure and the shear stress right below the cylinder

  13. Towards a thermodynamic definition of efficacy in partial agonism: The thermodynamics of efficacy and ligand proton transfer in a G protein-coupled receptor of the rhodopsin class. (United States)

    Broadley, Kenneth J; Sykes, Shane C; Davies, Robin H


    The thermodynamic binding profiles of agonist and antagonist complexes of the 4-hydroxypropanolamine partial agonist, prenalterol, on the chronotropic adrenergic response in guinea-pig right atria were determined over a 15 °C temperature range. The tissue response was compared with data on the ethanolamine agonist, isoprenaline, given by binding studies in a number of rat tissues. Utilising the residue conservatism surrounding the known active conformers bound to either of two aspartate residues (α-helices II, III) in both receptors (β(1), β(2)) and species (guinea-pig, rat and human), no significant deformation in the extended side chain could be found in prenalterol's agonist binding compared to isoprenaline. Antagonist binding gave a highly favourable entropy contribution at 30.0 °C of -4.7±1.2 kcal/mol. The enthalpy change between bound agonist and antagonist complexes, a function of the efficacy alone, was -6.4±1.1 kcal/mol, coincident with the calculated intrinsic preference of a primary/secondary amine-aspartate interaction for a neutral hydrogen-bonded form over its ion pair state, giving values of 6.3-6.6 kcal/mol with calculations of good quality, a figure expected to be close to that shown within a hydrophobic environment. Delivery of a proton to a conserved aspartate anion (α-helix II) becomes the critical determinant for agonist action with resultant proton transfer stabilisation dominating the enthalpy change. A proposed monocation-driven ligand proton pumping mechanism within the ternary complex is consistent with the data, delivery between two acid groups being created by the movement of the cation and the counter-movement of the ligand protonated amine moving from Asp 138 (α-helix III) to Asp 104 (α-helix II). Copyright © 2010 Elsevier Inc. All rights reserved.

  14. Spectral methods for study of the G-protein-coupled receptor rhodopsin: I. Vibrational and electronic spectroscopy (United States)

    Struts, A. V.; Barmasov, A. V.; Brown, M. F.


    Here we review the application of modern spectral methods for the study of G-protein-coupled receptors (GPCRs) using rhodopsin as a prototype. Because X-ray analysis gives us immobile snapshots of protein conformations, it is imperative to apply spectroscopic methods for elucidating their function: vibrational (Raman, FTIR), electronic (UV-visible absorption, fluorescence) spectroscopies, and magnetic resonance (electron paramagnetic resonance, EPR), and nuclear magnetic resonance (NMR). In the first of the two companion articles, we discuss the application of optical spectroscopy for studying rhodopsin in a membrane environment. Information is obtained regarding the time-ordered sequence of events in rhodopsin activation. Isomerization of the chromophore and deprotonation of the retinal Schiff base leads to a structural change of the protein involving the motion of helices H5 and H6 in a pH-dependent process. Information is obtained that is unavailable from X-ray crystallography, which can be combined with spectroscopic studies to achieve a more complete understanding of GPCR function.

  15. Role of vibrationally excited HBr in a HBr/He inductively coupled plasma used for etching of silicon (United States)

    Tinck, Stefan; Bogaerts, Annemie


    In this work, the role of vibrationally excited HBr (HBr(vib)) is computationally investigated for a HBr/He inductively coupled plasma applied for Si etching. It is found that at least 50% of all dissociations of HBr occur through HBr(vib). This additional dissociation pathway through HBr(vib) makes the plasma significantly more atomic. It also results in a slightly higher electron temperature (i.e. about 0.2 eV higher compared to simulation results where HBr(vib) is not included), as well as a higher gas temperature (i.e. about 50 K higher than without including HBr(vib)), due to the enhanced Franck-Condon heating through HBr(vib) dissociation, at the conditions investigated. Most importantly, the calculated etch rate with HBr(vib) included in the model is a factor 3 higher than in the case without HBr(vib), due to the higher fluxes of etching species (i.e. H and Br), while the chemical composition of the wafer surface shows no significant difference. Our calculations clearly show the importance of including HBr(vib) for accurate modeling of HBr-containing plasmas.

  16. Particle-vibration coupling and exchange-current effects on the magnetic electron-scattering form factor

    Energy Technology Data Exchange (ETDEWEB)

    Krewald, S.; Lallena, A.M.; Dehesa, J.S.


    Inelastic electron-scattering form factors of magnetic states in closed-shell nuclei are calculated taking into account the combined effect of the mesonic degrees of freedom and the two-particle-two-hole components of the nuclear wave functions which come from the particle-core vibration coupling. The one-body nucleon- and two-body meson-exchange current contribution to the form factor are evaluated with the same realistic mean field. Application to various high-spin magnetic states of oxygen and lead is made. The comparison with experiment shows an excellent agreement for the states 14/sup -/(6.74 MeV) and 12/sup -/sub(t)(7.06 MeV) in lead, while such is not the case for the second 12/sup -//sub 2/(6.43 MeV) state in lead and the 4/sup -/(18.98 MeV) state in oxygen essentially due to mixing configuration effects and the non-consideration of 3p3h excitations, respectively. (orig.).

  17. Vibration analysis of a rotating functionally graded tapered microbeam based on the modified couple stress theory by DQEM (United States)

    Ghadiri, Majid; Shafiei, Navvab; Alireza Mousavi, S.


    Due to having difficulty in solving governing nonlinear differential equations of a non-uniform microbeam, a few numbers of authors have studied such fields. In the present study, for the first time, the size-dependent vibration behavior of a rotating functionally graded (FG) tapered microbeam based on the modified couple stress theory is investigated using differential quadrature element method (DQEM). It is assumed that physical and mechanical properties of the FG microbeam are varying along the thickness that will be defined as a power law equation. The governing equations are determined using Hamilton's principle, and DQEM is presented to obtain the results for cantilever and propped cantilever boundary conditions. The accuracy and validity of the results are shown in several numerical examples. In order to display the influence of size on the first two natural frequencies and consequently changing of some important microbeam parameters such as material length scale, rate of cross section, angular velocity and gradient index of the FG material, several diagrams and tables are represented. The results of this article can be used in designing and optimizing elastic and rotary-type micro-electro-mechanical systems like micro-motors and micro-robots including rotating parts.

  18. Free energy calculation using molecular dynamics simulation combined with the three dimensional reference interaction site model theory. I. Free energy perturbation and thermodynamic integration along a coupling parameter. (United States)

    Miyata, Tatsuhiko; Ikuta, Yasuhiro; Hirata, Fumio


    This article proposes a free energy calculation method based on the molecular dynamics simulation combined with the three dimensional reference interaction site model theory. This study employs the free energy perturbation (FEP) and the thermodynamic integration (TDI) along the coupling parameters to control the interaction potential. To illustrate the method, we applied it to a complex formation process in aqueous solutions between a crown ether molecule 18-Crown-6 (18C6) and a potassium ion as one of the simplest model systems. Two coupling parameters were introduced to switch the Lennard-Jones potential and the Coulomb potential separately. We tested two coupling procedures: one is a "sequential-coupling" to couple the Lennard-Jones interaction followed by the Coulomb coupling, and the other is a "mixed-coupling" to couple both the Lennard-Jones and the Coulomb interactions together as much as possible. The sequential-coupling both for FEP and TDI turned out to be accurate and easily handled since it was numerically well-behaved. Furthermore, it was found that the sequential-coupling had relatively small statistical errors. TDI along the mixed-coupling integral path was to be carried out carefully, paying attention to a numerical behavior of the integrand. The present model system exhibited a nonmonotonic behavior in the integrands for TDI along the mixed-coupling integral path and also showed a relatively large statistical error. A coincidence within a statistical error was obtained among the results of the free energy differences evaluated by FEP, TDI with the sequential-coupling, and TDI with the mixed-coupling. The last one is most attractive in terms of the computer power and is accurate enough if one uses a proper set of windows, taking the numerical behavior of the integrands into account. TDI along the sequential-coupling integral path would be the most convenient among the methods we tested, since it seemed to be well-balanced between the computational

  19. Tracking molecular structure deformation of nitrobenzene and its torsion-vibration coupling by intense pumping CARS (United States)

    Wang, Chang; Wu, Hong-Lin; Song, Yun-Fei; He, Xing; Yang, Yan-Qiang; Tan, Duo-Wang


    The structural deformation induced by intense laser field of liquid nitrobenzene (NB) molecule, a typical molecule with restricting internal rotation, is tracked by time- and frequency-resolved coherent anti-Stokes. Raman spectroscopy (CARS) technique with an intense pump laser. The CARS spectra of liquid NB show that the NO2 torsional mode couples with the NO2 symmetric stretching mode, and the NB molecule undergoes ultrafast structural deformation with a relaxation time of 265 fs. The frequency of NO2 torsional mode in liquid NB (42 cm-1) at room temperature is found from the sum and difference combination bands involving the NO2 symmetric stretching mode and torsional mode in time- and frequency-resolved CARS spectra. Project supported by the National Natural Science Foundation of China (Grant Nos. 21173063 and 21203047), the Foundation of Heilongjiang Bayi Agricultural University, China (Grant No. XZR2014-16), NSAF (Grant No. U1330106), and the Special Research Project of National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, China Academy of Engineering Physics (Grant No. 2012-S-07).

  20. The Influence of Amplitude- and Frequency-Dependent Stiffness of Rail Pads on the Random Vibration of a Vehicle-Track Coupled System

    Directory of Open Access Journals (Sweden)

    Kai Wei


    Full Text Available The nonlinear curves between the external static loads of Thermoplastic Polyurethane Elastomer (TPE rail pads and their compressive deformations were measured. A finite element model (FEM for a rail-fastener system was produced to determine the nonlinear compressive deformations of TPE rail pads and their nonlinear static stiffness under the static vehicle weight and the preload of rail fastener. Next, the vertical vehicle-track coupled model was employed to investigate the influence of the amplitude- and frequency-dependent stiffness of TPE rail pads on the vehicle-track random vibration. It is found that the static stiffness of TPE rail pads ranges from 19.1 to 37.9 kN/mm, apparently different from the classical secant stiffness of 26.7 kN/mm. Additionally, compared with the nonlinear amplitude- and frequency-dependent stiffness of rail pads, the classical secant stiffness would not only severely underestimate the random vibration acceleration levels of wheel-track coupled system at frequencies of 65–150 Hz but also alter the dominant frequency-distribution of vehicle wheel and steel rail. Considering that these frequencies of 65–150 Hz are the dominant frequencies of ground vibration accelerations caused by low-speed railway, the nonlinear amplitude- and frequency-dependent stiffness of rail pads should be taken into account in prediction of environment vibrations due to low-speed railway.

  1. The coupling of lattice vibrations to spin dynamics and electronic properties of paramagnetic Fe and CrN revealed by first-principles methods (United States)

    Alling, BjöRn

    We report the impact of lattice vibrations on magnetic and electronic properties of paramagnetic bcc and fcc iron employing the disordered local moments molecular dynamics (DLM-MD). Vibrations strongly affect the distribution of local magnetic moments and the electronic density of states in the paramagnetic regime. When the coupling between vibrations and magnetism is taken into account at the γ- δ transition temperature (1662 K), the lattice distortions cause very similar mean magnetic moments and total electronic density of states of both bcc and fcc structures. Consequently, our simulations suggest that at the γ- δ transition temperature, electronic and magnetic contributions to the Gibbs free energy are extremely similar in bcc and fcc Fe. In the next step, going beyond the approximation of magnetism as an adiabatically fast degree of freedom, we study paramagnetic CrN using a combination of atomistic spin dynamics and ab-initio molecular dynamics. We demonstrate how the relaxation time scales of the transverse spin dynamics and atomic vibrations are rather similar and study the impact of their explicit coupling on properties such as pair-correlation functions, potential energies, and trajectories.

  2. Gel performance in rheology and profile control under low-frequency vibration: coupling application of physical and chemical EOR techniques. (United States)

    Zheng, Li Ming; Pu, Chun Sheng; Liu, Jing; Ma, Bo; Khan, Nasir


    Flowing gel plugging and low-frequency vibration oil extraction technology have been widely applied in low-permeability formation. High probability of overlapping in action spheres of two technologies might lead to poor operating efficiency during gel injection. Study on flowing gel rheological properties under low-frequency vibration was essential, which was carried out indoor with viscosity measurement. Potential dynamic mechanisms were analyzed for the rheological variation. Under low-frequency vibration, gel rheological properties were found to be obviously influenced, with vibration delaying gel cross-linking in induction period, causing a two-stage gel viscosity change in acceleration period, and decreasing gel strength in stable period. Surface of gel system under vibration presented different fluctuating phenomenon from initial harmonic vibrating to heterogeneous fluctuating (droplet separation might appear) to final harmonic vibrating again. Dynamic displacement in unconsolidated sand pack revealed that low-frequency vibration during gel injection might be a measure to achieve deep profile control, with the gel injection depth increased by 65.8 % compared with the vibration-free sample. At last, suggestions for field test were given in the paper to achieve lower injection friction and better gel plugging efficiency.

  3. An assumed mode method and finite element method investigation of the coupled vibration in a flexible-disk rotor system with lacing wires

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Shui-Ting; Huang, Hong-Wu [Hunan University, Changsha (China); Chiu, Yi-Jui; Yu, Guo-Fei [Xiamen University of Technology, Xiamen (China); Yang, Chia-Hao [Taipei Chengshih University of Science and Technology, Taipei (China); Jian, Sheng-Rui [I-Shou University, Kaohsiung (China)


    The Assumed mode method (AMM) and Finite element method (FEM) were used. Their results were compared to investigate the coupled shaft-torsion, disk-transverse, and blade-bending vibrations in a flexible-disk rotor system. The blades were grouped with a spring. The flexible-disk rotor system was divided into three modes of coupled vibrations: Shaft-disk-blade, disk-blade, and blade-blade. Two new modes of coupled vibrations were introduced, namely, lacing wires-blade and lacing wires-disk-blade. The patterns of change of the natural frequencies and mode shapes of the system were discussed. The results showed the following: first, mode shapes and natural frequencies varied, and the results of the AMM and FEM differed; second, numerical calculation results showed three influencing factors on natural frequencies, namely, the lacing wire constant, the lacing wire location, and the flexible disk; lastly, the flexible disk could affect the stability of the system as reflected in the effect of the rotational speed.

  4. Investigation of block foundations resting on soil–rock and rock–rock media under coupled vibrations

    Directory of Open Access Journals (Sweden)

    Renuka Darshyamkar


    Full Text Available In the present study, the dynamic response of block foundations of different equivalent radius to mass (Ro/m ratios under coupled vibrations is investigated for various homogeneous and layered systems. The frequency-dependent stiffness and damping of foundation resting on homogeneous soils and rocks are determined using the half-space theory. The dynamic response characteristics of foundation resting on the layered system considering rock–rock combination are evaluated using finite element program with transmitting boundaries. Frequencies versus amplitude responses of block foundation are obtained for both translational and rotational motion. A new methodology is proposed for determination of dynamic response of block foundations resting on soil–rock and weathered rock–rock system in the form of equations and graphs. The variations of dimensionless natural frequency and dimensionless resonant amplitude with shear wave velocity ratio are investigated for different thicknesses of top soil/weathered rock layer. The dynamic behaviors of block foundations are also analyzed for different rock–rock systems by considering sandstone, shale and limestone underlain by basalt. The variations of stiffness, damping and amplitudes of block foundations with frequency are shown in this study for various rock–rock combinations. In the analysis, two resonant peaks are observed at two different frequencies for both translational and rotational motion. It is observed that the dimensionless resonant amplitudes decrease and natural frequencies increase with increase in shear wave velocity ratio. Finally, the parametric study is performed for block foundations with dimensions of 4 m × 3 m × 2 m and 8 m × 5 m × 2 m by using generalized graphs. The variations of natural frequency and peak displacement amplitude are also studied for different top layer thicknesses and eccentric moments.

  5. Optimization of Sensing and Feedback Control for Vibration/Flutter of Rotating Disk by PZT Actuators via Air Coupled Pressure

    Directory of Open Access Journals (Sweden)

    Bingfeng Ju


    Full Text Available In this paper, a feedback control mechanism and its optimization for rotating disk vibration/flutter via changes of air-coupled pressure generated using piezoelectric patch actuators are studied. A thin disk rotates in an enclosure, which is equipped with a feedback control loop consisting of a micro-sensor, a signal processor, a power amplifier, and several piezoelectric (PZT actuator patches distributed on the cover of the enclosure. The actuator patches are mounted on the inner or the outer surfaces of the enclosure to produce necessary control force required through the airflow around the disk. The control mechanism for rotating disk flutter using enclosure surfaces bonded with sensors and piezoelectric actuators is thoroughly studied through analytical simulations. The sensor output is used to determine the amount of input to the actuator for controlling the response of the disk in a closed loop configuration. The dynamic stability of the disk-enclosure system, together with the feedback control loop, is analyzed as a complex eigenvalue problem, which is solved using Galerkin’s discretization procedure. The results show that the disk flutter can be reduced effectively with proper configurations of the control gain and the phase shift through the actuations of PZT patches. The effectiveness of different feedback control methods in altering system characteristics and system response has been investigated. The control capability, in terms of control gain, phase shift, and especially the physical configuration of actuator patches, are also evaluated by calculating the complex eigenvalues and the maximum displacement produced by the actuators. To achieve a optimal control performance, sizes, positions and shapes of PZT patches used need to be optimized and such optimization has been achieved through numerical simulations.

  6. Theoretical analysis based on fundamental functions of thin plate and experimental measurement for vibration characteristics of a plate coupled with liquid (United States)

    Liao, Chan-Yi; Wu, Yi-Chuang; Chang, Ching-Yuan; Ma, Chien-Ching


    This study combined theoretical, experimental, and numerical analysis to investigate the vibration characteristics of a thin rectangular plate positioned horizontally at the bottom of a rectangular container filled with liquid. Flow field pressure was derived using an equation governing the behavior of incompressible fluids. Analytic solutions to vibrations in a thin plate in air served as the fundamental function of the thin plate coupled with liquid. We then used liquid pressure, and the out-of-plane deflection of the thin plate for the construction of frequency response functions for the analysis of vibration characteristics in the liquid-plate coupling system. Two experimental methods were employed to measure the vibration characteristics of the thin plate immersed in water. The first involved using sensors of polyvinylidene difluoride (PVDF) to measure transient signals of fluid-plate system subjected an impact at the thin plate. These were then converted to the frequency domain in order to obtain the resonant frequencies of the fluid-plate coupling system. The second method was amplitude-fluctuation electronic speckle pattern interferometry (AF-ESPI), which was used to measure the dynamic characteristics of the thin plate in the flow field. This method was paired with the image processing techniques, temporal speckle pattern interferometry (TSPI) and temporal standard deviation (TSTD), to obtain clear mode shapes of the thin plate and resonant frequencies. Comparison of the results from theoretical analysis, finite element method, and experimental measurements confirmed the accuracy of our theoretical analysis, which was superior to the conventional approach based on beam mode shape functions. The experimental methods proposed in this study can be used to measure the resonant frequencies of underwater thin plates, and clear mode shapes can be obtained using AF-ESPI. Our results indicate that the resonant frequencies of thin plates underwater are lower than

  7. Coupled bending-torsion vibration of a homogeneous beam with a single delamination subjected to axial loads and static end moments (United States)

    Liu, Yang; Shu, Dong-Wei


    Delaminations in structures may significantly reduce the stiffness and strength of the structures and may affect their vibration characteristics. As structural components, beams have been used for various purposes, in many of which beams are often subjected to axial loads and static end moments. In the present study, an analytical solution is developed to study the coupled bending-torsion vibration of a homogeneous beam with a single delamination subjected to axial loads and static end moments. Euler-Bernoulli beam theory and the "free mode" assumption in delamination vibration are adopted. This is the first study of the influences of static end moments upon the effects of delaminations on natural frequencies, critical buckling loads and critical moments for lateral instability. The results show that the effects of delamination on reducing natural frequencies, critical buckling load and critical moment for lateral instability are aggravated by the presence of static end moment. In turn, the effects of static end moments on vibration and instability characteristics are affected by the presence of delamination. The analytical results of this study can serve as a benchmark for finite element method and other numerical solutions.

  8. Vibration-rotation pattern in acetylene. II. Introduction of Coriolis coupling in the global model and analysis of emission spectra of hot acetylene around 3 μm (United States)

    Amyay, Badr; Robert, Séverine; Herman, Michel; Fayt, André; Raghavendra, Balakrishna; Moudens, Audrey; Thiévin, Jonathan; Rowe, Bertrand; Georges, Robert


    A high temperature source has been developed and coupled to a high resolution Fourier transform spectrometer to record emission spectra of acetylene around 3 μm up to 1455 K under Doppler limited resolution (0.015 cm-1). The ν3-ground state (GS) and ν2+ν4+ν5 (Σu+ and Δu)-GS bands and 76 related hot bands, counting e and f parities separately, are assigned using semiautomatic methods based on a global model to reproduce all related vibration-rotation states. Significantly higher J-values than previously reported are observed for 40 known substates while 37 new e or f vibrational substates, up to about 6000 cm-1, are identified and characterized by vibration-rotation parameters. The 3 811 new or improved data resulting from the analysis are merged into the database presented by Robert et al. [Mol. Phys. 106, 2581 (2008)], now including 15 562 lines accessing vibrational states up to 8600 cm-1. A global model, updated as compared to the one in the previous paper, allows all lines in the database to be simultaneously fitted, successfully. The updates are discussed taking into account, in particular, the systematic inclusion of Coriolis interaction.

  9. Vibration-rotation pattern in acetylene. II. Introduction of Coriolis coupling in the global model and analysis of emission spectra of hot acetylene around 3 microm. (United States)

    Amyay, Badr; Robert, Séverine; Herman, Michel; Fayt, André; Raghavendra, Balakrishna; Moudens, Audrey; Thiévin, Jonathan; Rowe, Bertrand; Georges, Robert


    A high temperature source has been developed and coupled to a high resolution Fourier transform spectrometer to record emission spectra of acetylene around 3 mum up to 1455 K under Doppler limited resolution (0.015 cm(-1)). The nu(3)-ground state (GS) and nu(2)+nu(4)+nu(5) (Sigma(u) (+) and Delta(u))-GS bands and 76 related hot bands, counting e and f parities separately, are assigned using semiautomatic methods based on a global model to reproduce all related vibration-rotation states. Significantly higher J-values than previously reported are observed for 40 known substates while 37 new e or f vibrational substates, up to about 6000 cm(-1), are identified and characterized by vibration-rotation parameters. The 3 811 new or improved data resulting from the analysis are merged into the database presented by Robert et al. [Mol. Phys. 106, 2581 (2008)], now including 15 562 lines accessing vibrational states up to 8600 cm(-1). A global model, updated as compared to the one in the previous paper, allows all lines in the database to be simultaneously fitted, successfully. The updates are discussed taking into account, in particular, the systematic inclusion of Coriolis interaction.

  10. The toluene-Ar complex: S0 and S1 van der Waals modes, changes to methyl rotation, and torsion-van der Waals vibration coupling. (United States)

    Gascooke, Jason R; Lawrance, Warren D


    The methyl rotor and van der Waals vibrational levels in the S1 and S0 states of toluene-Ar have been investigated by the technique of two-dimensional laser induced fluorescence (2D-LIF). The S0 van der Waals and methyl rotor levels are reported for the first time, while improved S1 values are presented. The correlations seen in the 2D-LIF images between the S0 and S1 states lead to a reassignment of key features in the S1 ← S0 excitation spectrum. This reassignment reveals that there are significant changes in the methyl rotor levels in the complex compared with those in bare toluene, particularly at low m. The observed rotor energies are explained by the introduction of a three-fold, V3, term in the torsion potential (this term is zero in toluene) and a reduction in the height of the six-fold, V6, barriers in S0 and S1 from their values in bare toluene. The V3 term is larger in magnitude than the V6 term in both S0 and S1. The constants determined are ∣V3(S1)∣ = 33.4 ± 1.0 cm(-1), ∣V3(S0)∣ = 20.0 ± 1.0 cm(-1), V6(S1) = -10.7 ± 1.0 cm(-1), and V6(S0) = -1.7 ± 1.0 cm(-1). The methyl rotor is also found to couple with van der Waals vibration; specifically, the m(") = 2 rotor state couples with the combination level involving one quantum of the long axis bend and m(") = 1. The coupling constant is determined to be 1.9 cm(-1), which is small compared with the values typically reported for torsion-vibration coupling involving ring modes.

  11. The toluene-Ar complex: S0 and S1 van der Waals modes, changes to methyl rotation, and torsion-van der Waals vibration coupling (United States)

    Gascooke, Jason R.; Lawrance, Warren D.


    The methyl rotor and van der Waals vibrational levels in the S1 and S0 states of toluene-Ar have been investigated by the technique of two-dimensional laser induced fluorescence (2D-LIF). The S0 van der Waals and methyl rotor levels are reported for the first time, while improved S1 values are presented. The correlations seen in the 2D-LIF images between the S0 and S1 states lead to a reassignment of key features in the S1 ← S0 excitation spectrum. This reassignment reveals that there are significant changes in the methyl rotor levels in the complex compared with those in bare toluene, particularly at low m. The observed rotor energies are explained by the introduction of a three-fold, V3, term in the torsion potential (this term is zero in toluene) and a reduction in the height of the six-fold, V6, barriers in S0 and S1 from their values in bare toluene. The V3 term is larger in magnitude than the V6 term in both S0 and S1. The constants determined are |V3(S1)| = 33.4 ± 1.0 cm-1, |V3(S0)| = 20.0 ± 1.0 cm-1, V6(S1) = -10.7 ± 1.0 cm-1, and V6(S0) = -1.7 ± 1.0 cm-1. The methyl rotor is also found to couple with van der Waals vibration; specifically, the m″ = 2 rotor state couples with the combination level involving one quantum of the long axis bend and m″ = 1. The coupling constant is determined to be 1.9 cm-1, which is small compared with the values typically reported for torsion-vibration coupling involving ring modes.

  12. Vibrational spectra (experimental and theoretical), molecular structure, natural bond orbital, HOMO-LUMO energy, Mulliken charge and thermodynamic analysis of N'-hydroxy-pyrimidine-2-carboximidamide by DFT approach. (United States)

    Jasmine, N Jeeva; Muthiah, P Thomas; Arunagiri, C; Subashini, A


    The FT-IR, FT-Raman, (1)H, (13)C NMR and UV-Visible spectral measurements of N'-hydroxy-pyrimidine-2-carboximidamide (HPCI) and complete analysis of the observed spectra have been proposed. DFT calculation has been performed and the structural parameters of the compound was determined from the optimized geometry with 6-311+G(d,p) basis set and giving energies, harmonic vibrational frequencies and force constants. The results of the optimized molecular structure are presented and compared with the experimental. The geometric parameters, harmonic vibrational frequencies and chemical shifts were compared with the experimental data of the molecule. The title compound, C5H6N4O, is approximately planar, with an angle of 11.04 (15)°. The crystal structure is also stabilized by intermolecular N-H⋯O, N-H⋯N, O-H⋯N, C-H⋯O hydrogen bond and offset π-π stacking interactions. The influences of hydroxy and carboximidamide groups on the skeletal modes and proton chemical shifts have been investigated. Moreover, we have not only simulated highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) but also determined the transition state and band gap. The kinetic, thermodynamic stability and chemical hardness of the molecule have been determined. Complete NBO analysis was also carried out to find out the intermolecular electronic interactions and their stabilization energy. The thermodynamic properties like entropies and their correlations with temperatures were also obtained from the harmonic frequencies of the optimized structure. Copyright © 2015 Elsevier B.V. All rights reserved.

  13. Compact Vibration Damper (United States)

    Ivanco, Thomas G. (Inventor)


    A vibration damper includes a rigid base with a mass coupled thereto for linear movement thereon. Springs coupled to the mass compress in response to the linear movement along either of two opposing directions. A converter coupled to the mass converts the linear movement to a corresponding rotational movement. A rotary damper coupled to the converter damps the rotational movement.

  14. Entropic and Enthalpic Contributions to the Solvent Dependence of the Thermodynamics of Transition-Metal Redox Couples II. Couples Containing Ammine and Ethylenediamine Ligands. (United States)


    cy --T -, 0 (-I &j 1 1 EN cn - Notes to Table I1 A = Free energy of t ransfer of redox coupl1 ,’.(At;0 )s-w (kca l. mol1-i) from water to rc...Transition-Metal Amine Complexes, Ion Transfer Energies , Reaction Entropivs, 1 Dimethylsulfoxide, N-N-dimethylformamide, N-methylformamide, Formami1...Des f wat -S 3 transfer free energy ()i each redox couple from water to the nonaqueous solvents A(AG s ,ere made from the solvent dependence of E at

  15. Contribution to Experimental Validation of Linear and Non-Linear Dynamic Models for Representing Rotor-Blade Parametric Coupled Vibrations

    DEFF Research Database (Denmark)

    Santos, Ilmar; Saracho, C.M.; Smith, J.T.


    , it is possible to highlight some dynamic effects and experimentally simulate the structural behavior of a windmill in two dimensions (2D-model). Only lateral displacement of the rotor in the horizontal direction is taken into account. Gyroscopic effect due to rotor angular vibrations is eliminated in the test...... linear, non-linear and time-depending terms in a very transparent way. Although neither gyroscopic effect due to rotor angular vibrations nor higher blade mode shapes are considered in the analysis, the equations of motion of the rotor-blades system are still general enough for the purpose of the work...

  16. Modeling the Vibrational Dynamics and Nonlinear Infrared Spectra of Coupled Amide I and II Modes in Peptides

    NARCIS (Netherlands)

    Dijkstra, Arend G.; Jansen, Thomas la Cour; Knoester, Jasper


    The amide vibrational modes play an important role in energy transport and relaxation in polypeptides and proteins and provide us with spectral markers for structure and structural dynamics of these macromolecules. Here, we present a detailed model to describe the dynamic properties of the amide I

  17. Interplay of exciton coupling and large-amplitude motions in the vibrational circular dichroism spectrum of dehydroquinidine

    NARCIS (Netherlands)

    Nicu, V.P.; Domingos, S.R.; Strudwick, B.H.; Brouwer, A.M.; Buma, W.J.


    A detailed analysis of the computed structure, energies, vibrational absorption (VA) and circular dichroism (VCD) spectra of 30 low-energy conformers of dehydroquinidine reveals the existence of families of pseudo-conformers, the structures of which differ mostly in the orientation of a single

  18. An experimental and statistical study of the behavior of the vibration field in two coupled lightweight wooden joist floors

    DEFF Research Database (Denmark)

    Sjökvist, Lars-Göran; Brunskog, Jonas


    The aim of this study was to evaluate the vibration level attenuation of a common wooden floor structure and to present the results together with the statistical precision of the evaluation. Linear regression was used to determine the attenuation rate in the two main directions of the floor...

  19. Coupling thin-layer chromatography with vibrational cooling matrix-assisted laser desorption/ionization Fourier transform mass spectrometry for the analysis of ganglioside mixtures. (United States)

    Ivleva, Vera B; Elkin, Yuri N; Budnik, Bogdan A; Moyer, Susanne C; O'Connor, Peter B; Costello, Catherine E


    Thin-layer chromatography (TLC), which is widely used for separation of glycolipids, oligosaccharides, lipids, and compounds of environmental and pharmaceutical interest, can be readily coupled to matrix-assisted laser desorption/ionization (MALDI) time-of-flight mass spectrometers, but this arrangement usually compromises mass spectral resolution due to the irregularity of the TLC surface. However, TLC can be coupled to an external ion source MALDI-Fourier transform (FT) MS instrument without compromising mass accuracy and resolution of the spectra. Furthermore, when the FTMS has a vibrationally cooled MALDI ion source, fragile glycolipids can be desorbed from TLC plates without fragmentation, even to the point that desorption of intact molecules from "hot"matrixes such as alpha-cyano-4-hydroxycinnamic acid is possible. In this work, whole brain gangliosides are separated using TLC; the TLC plates are attached directly to the MALDI target, where the gangliosides are desorbed, ionized, and detected in the FTMS with >70 000 resolving power.

  20. Vibration and buckling of orthotropic functionally graded micro-plates on the basis of a re-modified couple stress theory

    Directory of Open Access Journals (Sweden)

    Zihao Yang

    Full Text Available A microstructure-dependent model for the free vibration and buckling analysis of an orthotropic functionally graded micro-plate was proposed on the basis of a re-modified couple stress theory. The macro- and microscopic anisotropy were simultaneously taken into account by introducing two material length scale parameters. The material attributes were assumed to vary continuously through the thickness direction by a power law. The governing equations and corresponding boundary conditions were derived through Hamilton’s principle. The Navier method was used to calculate the natural frequencies and buckling loads of a simply supported micro-plate. The numerical results indicated that the present model predicts higher natural frequencies and critical buckling loads than the classical model, particular when the geometric size of the micro-plates is comparable to the material length scale parameters, i.e., the scale effect is well represented. The scale effect becomes more noticeable as the material length scale parameters increase, the anisotropy weaken or the power law index increases, and vice versa. Keywords: Free vibration, Buckling, Functionally graded materials, Modified couple stress theory, Scale effect

  1. The impact of calving front retreat on Jakobshavn Isbræ, West Greenland , using a 3D thermodynamically coupled numerical model (United States)

    Bondzio, J. H.; Seroussi, H. L.; Morlighem, M.; Kleiner, T.; Rückamp, M.; Larour, E. Y.; Humbert, A.


    Jakobshavn Isbræ is a major marine terminating outlet glacier of the Greenland Ice Sheet. Since the breakup of its floating ice tongue in the late 1990's, the glacier has been thinning, accelerating and its calving front has been retreating by about 20 km. It is currently a major contributor to global sea level rise. Understanding the processes involved in and driving these changes is important to improve the predictive skills of numerical models and improve estimates of future dynamic ice discharge of the Greenland Ice Sheet. However, the limited amount of observations when the glacier underwent these strong changes does not allow us to fully understand the interplay and significance of the processes involved. Numerical modelling can be used to improve our understanding, but ice flow model studies so far suffered from lacking technical capabilities, poorly constrained input data sets and insufficient computational resources. Here, we use the Ice Sheet System Model (ISSM) to perform, for the first time, a high-resolution, 3D thermodynamically coupled model study of Jakobshavn Isbræ with a dynamically evolving ice front. We perform several sensitivity studies by analyzing the influence of submarine melt, calving and thermal regime on the glacier's thermodynamics to determine the processes that control the response of the glacier to climate change. We find that increased submarine melt significantly contributed to the initial speed-up of the glacier, but that today's flow regime is almost entirely controlled by it's calving front position, which agrees well with observations. The glacier's acceleration causes a substantial increase in internal and basal friction, which increases subglacial melt rates. Sustained higher submarine discharge might increase undercutting of the calving front through melt, leading to higher calving rates even in case of a glacier slow down, creating a potential positive feedback.

  2. Thermodynamic Modeling of a Solid Oxide Fuel Cell to Couple with an Existing Gas Turbine Engine Model (United States)

    Brinson, Thomas E.; Kopasakis, George


    The Controls and Dynamics Technology Branch at NASA Glenn Research Center are interested in combining a solid oxide fuel cell (SOFC) to operate in conjunction with a gas turbine engine. A detailed engine model currently exists in the Matlab/Simulink environment. The idea is to incorporate a SOFC model within the turbine engine simulation and observe the hybrid system's performance. The fuel cell will be heated to its appropriate operating condition by the engine s combustor. Once the fuel cell is operating at its steady-state temperature, the gas burner will back down slowly until the engine is fully operating on the hot gases exhausted from the SOFC. The SOFC code is based on a steady-state model developed by The U.S. Department of Energy (DOE). In its current form, the DOE SOFC model exists in Microsoft Excel and uses Visual Basics to create an I-V (current-voltage) profile. For the project's application, the main issue with this model is that the gas path flow and fuel flow temperatures are used as input parameters instead of outputs. The objective is to create a SOFC model based on the DOE model that inputs the fuel cells flow rates and outputs temperature of the flow streams; therefore, creating a temperature profile as a function of fuel flow rate. This will be done by applying the First Law of Thermodynamics for a flow system to the fuel cell. Validation of this model will be done in two procedures. First, for a given flow rate the exit stream temperature will be calculated and compared to DOE SOFC temperature as a point comparison. Next, an I-V curve and temperature curve will be generated where the I-V curve will be compared with the DOE SOFC I-V curve. Matching I-V curves will suggest validation of the temperature curve because voltage is a function of temperature. Once the temperature profile is created and validated, the model will then be placed into the turbine engine simulation for system analysis.

  3. Theoretical Investigation of C-H Vibrational Spectroscopy. 1. Modeling of Methyl and Methylene Groups of Ethanol with Different Conformers. (United States)

    Wang, Lin; Ishiyama, Tatsuya; Morita, Akihiro


    A flexible and polarizable molecular model of ethanol is developed to extend our investigation of thermodynamic, structural, and vibrational properties of the liquid and interface. A molecular dynamics (MD) simulation with the present model confirmed that this model well reproduces a number of properties of liquid ethanol, including density, heat of vaporization, surface tension, molecular dipole moment, and trans/gauche ratio. In particular, the present model can describe vibrational IR, Raman, and sum frequency generation (SFG) spectra of ethanol and partially deuterated analogues with reliable accuracy. The improved accuracy is largely attributed to proper modeling of the conformational dependence and the intramolecular couplings including Fermi resonance in C-H vibrations. Precise dependence of torsional motions is found to be critical in representing vibrational spectra of the C-H bending. This model allows for further vibrational analysis of complicated alkyl groups widely observed in various organic molecules with MD simulation.

  4. Entropy for Mechanically Vibrating Systems (United States)

    Tufano, Dante

    The research contained within this thesis deals with the subject of entropy as defined for and applied to mechanically vibrating systems. This work begins with an overview of entropy as it is understood in the fields of classical thermodynamics, information theory, statistical mechanics, and statistical vibroacoustics. Khinchin's definition of entropy, which is the primary definition used for the work contained in this thesis, is introduced in the context of vibroacoustic systems. The main goal of this research is to to establish a mathematical framework for the application of Khinchin's entropy in the field of statistical vibroacoustics by examining the entropy context of mechanically vibrating systems. The introduction of this thesis provides an overview of statistical energy analysis (SEA), a modeling approach to vibroacoustics that motivates this work on entropy. The objective of this thesis is given, and followed by a discussion of the intellectual merit of this work as well as a literature review of relevant material. Following the introduction, an entropy analysis of systems of coupled oscillators is performed utilizing Khinchin's definition of entropy. This analysis develops upon the mathematical theory relating to mixing entropy, which is generated by the coupling of vibroacoustic systems. The mixing entropy is shown to provide insight into the qualitative behavior of such systems. Additionally, it is shown that the entropy inequality property of Khinchin's entropy can be reduced to an equality using the mixing entropy concept. This equality can be interpreted as a facet of the second law of thermodynamics for vibroacoustic systems. Following this analysis, an investigation of continuous systems is performed using Khinchin's entropy. It is shown that entropy analyses using Khinchin's entropy are valid for continuous systems that can be decomposed into a finite number of modes. The results are shown to be analogous to those obtained for simple oscillators

  5. Quantum thermodynamics: a nonequilibrium Green's function approach. (United States)

    Esposito, Massimiliano; Ochoa, Maicol A; Galperin, Michael


    We establish the foundations of a nonequilibrium theory of quantum thermodynamics for noninteracting open quantum systems strongly coupled to their reservoirs within the framework of the nonequilibrium Green's functions. The energy of the system and its coupling to the reservoirs are controlled by a slow external time-dependent force treated to first order beyond the quasistatic limit. We derive the four basic laws of thermodynamics and characterize reversible transformations. Stochastic thermodynamics is recovered in the weak coupling limit.

  6. Comprehensive stability analysis of disc brake vibrations including gyroscopic, negative friction slope and mode-coupling mechanisms (United States)

    Kang, Jaeyoung; Krousgrill, Charles M.; Sadeghi, Farshid


    The current study investigates the disc brake squeal by using an annular disc in contact with two pads subject to distributed friction stresses. The disc and pads are modeled as rotating annular and stationary annular sector plates, respectively. Friction stress is described on the deformed disc surface as distributed non-conservative friction-couples and frictional follower forces. From disc doublet-mode and multiple-mode models, the mode-coupling mechanism influenced by disc rotation is examined. In automotive applications, the frictional mode-coupling resulting from friction couple is shown to be the major mechanism for dynamic destabilization, whereas the effects of disc rotation on flutter destabilization are found to be small. On the verge of stop, however, the rotation effects effectively stabilize the steady sliding. This comprehensive brake model has shown that there is a speed corresponding to maximum squeal propensity for each flutter mode.

  7. Coupled Bending-Bending-Torsion Vibration of a Pre-Twisted Beam with Aerofoil Cross-Section by the Finite Element Method

    Directory of Open Access Journals (Sweden)

    Bulent Yardimoglu


    Full Text Available The present study deals with a finite element model for coupled bending-bending-torsion vibration analysis of a pretwisted Timoshenko beam with varying aerofoil cross-section. The element derived in this paper has two nodes, with seven degrees of freedom at each node. The nodal variables are transverse displacements, cross-section rotations and the shear angles in two planes and torsional displacement. The advantage of the present element is the exclusion of unnecessary derivatives of fundamental nodal variables, which were included to obtain invertable square matrix by other researchers, by choosing proper displacement functions and using relationship between cross-sectional rotation and the shear deformation. Element stiffness and mass matrices are developed from strain and kinetic energy expressions by assigning proper order polynomial expressions for cross-section properties and considering higher order coupling coefficients. The correctness of the present model is confirmed by the experimental results available in the literature. Comparison of the proposed model results with those in the literature indicates that a faster convergence is obtained. The results presented also provide some insights in the formulation by clearly indicating that higher order coupling terms have considerable influence on the natural frequencies.

  8. Vibration analysis and online thermodynamic assessment of a turbo-blower turbine; Analisis de vibraciones y evaluacion termodinamica en linea de la turbina de un turbosoplador

    Energy Technology Data Exchange (ETDEWEB)

    Munoz Q, Rodolfo; Marino L, Carlos; Ramirez S, Jose A.; Rivera G, Juan J. [Instituto de Investigaciones Electricas, Cuernavaca, Morelos (Mexico)


    In this paper are presented the results of the analysis of dynamic and thermodynamic behavior analysis of a turbo-blower integrated by one 13,080 KW steam turbine and a blower with a flow of 131,520 ft{sup 3}/m, to determine the cause of the excessive wearing of the axial trust bearing of the steam turbine. The main cause of failure is the wearing and severe dirtiness of the turbine stages that contributes with an increment of the turbine axial load. The consequences of the turbine deterioration are: greater axial load due to the additional heating rotor (requires greater steam to generate the same power that in design conditions); turbine motive power reduction and the reduction of isentropic efficiency of the same, for similar average steam consumption between reference and test. Due to the former the turbine power represents a deviation of the 34.74% in Steam Specific Consumption (SSC). [Spanish] Se presenta los resultados del analisis del comportamiento dinamico y termodinamico de un turbosoplador integrado por una turbina de vapor de 13,080 KW y un soplador con un caudal de 131,520 pies{sup 3}/m, para determinar la causa del desgaste excesivo de la chumacera de empuje axial de la turbina de vapor. La causa principal de la falla es el desgaste y ensuciamiento severo de las etapas de la turbina que contribuye con un incremento de la carga axial de la turbina. Las consecuencias del deterioro de la turbina son: mayor carga axial debida al calentamiento adicional del rotor (requiere mayor vapor para generar la misma potencia que en condiciones de diseno); reduccion de la potencia motriz de la turbina y de la eficiencia isoentropica de las mismas, para un consumo de vapor promedio similar entre referencia y prueba. Debido a lo anterior la potencia de la turbina representa una desviacion del 34.74% en el Consumo Especifico de Vapor (CVE).

  9. Nonequilibrium thermodynamics of nucleation

    NARCIS (Netherlands)

    Schweizer, M.; Sagis, L.M.C.


    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a

  10. Extended thermodynamics

    CERN Document Server

    Müller, Ingo


    Physicists firmly believe that the differential equations of nature should be hyperbolic so as to exclude action at a distance; yet the equations of irreversible thermodynamics - those of Navier-Stokes and Fourier - are parabolic. This incompatibility between the expectation of physicists and the classical laws of thermodynamics has prompted the formulation of extended thermodynamics. After describing the motifs and early evolution of this new branch of irreversible thermodynamics, the authors apply the theory to mon-atomic gases, mixtures of gases, relativistic gases, and "gases" of phonons and photons. The discussion brings into perspective the various phenomena called second sound, such as heat propagation, propagation of shear stress and concentration, and the second sound in liquid helium. The formal mathematical structure of extended thermodynamics is exposed and the theory is shown to be fully compatible with the kinetic theory of gases. The study closes with the testing of extended thermodynamics thro...

  11. Thermodynamics properties of diatomic molecules with general molecular potential (United States)

    Ikot, Akpan N.; Chukwuocha, E. O.; Onyeaju, M. C.; Onate, C. A.; Ita, B. I.; Udoh, M. E.


    In this paper, the energy spectra of the general molecular potential are obtained using the asymptotic iteration method within the framework of non-relativistic quantum mechanics.With the energy spectrum obtained, the vibrational partition function is calculated in a closed form and is used to obtain an expression for other thermodynamic functions such as vibrational mean energy U, vibrational mean free energy F, vibrational entropy S and vibrational specific heat capacity C. These thermodynamic functions are studied for the electronic state X1Σ _g^+ of K_2 diatomic molecules.

  12. Vibrational Dependence of Line Coupling and Line Mixing in Self-Broadened Parallel Bands of NH3 (United States)

    Ma, Q.; Boulet, C.; Tipping, R. H.


    Line coupling and line mixing effects have been calculated for several self-broadened NH3 lines in parallel bands involving an excited v2 mode. It is well known that once the v2 mode is excited, the inversion splitting quickly increases as this quantum number increases. In the present study, we have shown that the v2 dependence of the inversion splitting plays a dominant role in the calculated line-shape parameters. For the v2 band with a 36 cm-1 splitting, the intra-doublet couplings practically disappear and for the 2v2 and 2v2 - v2 bands with much higher splitting values, they are completely absent. With respect to the inter-doublet coupling, it becomes the most efficient coupling mechanism for the v2 band, but it is also completely absent for bands with higher v2 quantum numbers. Because line mixing is caused by line coupling, the above conclusions on line coupling are also applicable for line mixing. Concerning the check of our calculated line mixing effects, while the present formalism has well explained the line mixing signatures observed in the v1 band, there are large discrepancies between the measured Rosenkranz mixing parameters and our calculated results for the v2 and 2v2 bands. In order to clarify these discrepancies, we propose to make some new measurements. In addition, we have calculated self-broadened half-widths in the v2 and 2v2 bands and made comparisons with several measurements and with the values listed in HITRAN 2012. In general, the agreements with measurements are very good. In contrast, the agreement with HITRAN 2012 is poor, indicating that the empirical formula used to predict the HITRAN 2012 data has to be updated.

  13. Noninvasive Vibrational Mode Spectroscopy of Ion Coulomb Crystals through Resonant Collective Coupling to an Optical Cavity Field

    DEFF Research Database (Denmark)

    Dantan, Aurélien; Marler, Joan; Albert, Magnus


    We report on a novel noninvasive method to determine the normal mode frequencies of ion Coulomb crystals in traps based on the resonance enhanced collective coupling between the electronic states of the ions and an optical cavity field at the single photon level. Excitations of the normal modes...... are observed through a Doppler broadening of the resonance. An excellent agreement with the predictions of a zero-temperature uniformly charged liquid plasma model is found. The technique opens up for investigations of the heating and damping of cold plasma modes, as well as the coupling between them....

  14. General thermodynamics

    CERN Document Server

    Olander, Donald


    The book’s methodology is unified, concise, and multidisciplinary, allowing students to understand how the principles of thermodynamics apply to all technical fields that touch upon this most fundamental of scientific theories. It also offers a rigorous approach to the quantitative aspects of thermodynamics, accompanied by clear explanations to help students transition smoothly from the physical concepts to their mathematical representations

  15. Coupling of collective motions of the protein matrix to vibrations of the non-heme iron in bacterial photosynthetic reaction centers. (United States)

    Orzechowska, A; Lipińska, M; Fiedor, J; Chumakov, A; Zajac, M; Slezak, T; Matlak, K; Strzałka, K; Korecki, J; Fiedor, L; Burda, K


    Non-heme iron is a conservative component of type II photosynthetic reaction centers of unknown function. We found that in the reaction center from Rba. sphaeroides it exists in two forms, high and low spin ferrous states, whereas in Rsp. rubrum mostly in a low spin state, in line with our earlier finding of its low spin state in the algal photosystem II reaction center (Burda et al., 2003). The temperature dependence of the non-heme iron displacement studied by Mössbauer spectroscopy shows that the surrounding of the high spin iron is more flexible (Debye temperature ~165K) than that of the low spin atom (~207K). Nuclear inelastic scattering measurements of the collective motions in the Rba. sphaeroides reaction center show that the density of vibrational states, originating from non-heme iron, has well-separated modes between lower (4-17meV) and higher (17-25meV) energies while in the one from Rsp. rubrum its distribution is more uniform with only little contribution of low energy (~6meV) vibrations. It is the first experimental evidence that the fluctuations of the protein matrix in type II reaction center are correlated to the spin state of non-heme iron. We propose a simple mechanism in which the spin state of non-heme iron directly determines the strength of coupling between the two quinone acceptors (Q(A) and Q(B)) and fast collective motions of protein matrix that play a crucial role in activation and regulation of the electron and proton transfer between these two quinones. We suggest that hydrogen bond network on the acceptor side of reaction center is responsible for stabilization of non-heme iron in different spin states. Copyright © 2010 Elsevier B.V. All rights reserved.

  16. Effect of particle-core-vibration coupling near the double closed $^{132}$Sn nucleus from precise magnetic moment measurements

    CERN Multimedia

    Postma, H; Heyde, K; Walker, P; Grant, I; Veskovic, M; Stone, N; Stone, J


    % IS301 \\\\ \\\\ Low temperature nuclear orientation of isotope-separator implanted short-lived radio-isotopes makes possible the measurements of nuclear magnetic dipole moments of oriented ground and excited states with half-lives longer than a few seconds. Coupling schemes characterizing the odd nucleons and ground-state deformations can be extracted from the nuclear moments. \\\\ We thus propose to measure the magnetic dipole moments of $^{127-133}$Sb to high precision using NMR/ON at the NICOLE facility. With (double magic +1) $^{133}$Sb as the reference, the main aim of this experiment is to examine whether the collective component in the 7/2$^+$ Sb ground state magnetic dipole moment varies as expected according to particle-core coupling calculations carried out for the Sb (Z=51) isotopes. Comparison of the 1-proton-particle excitations in Sb to 1-proton-hole states in In nuclei will shed light on differences between particle and hole excitations as understood within the present model. Comparison of ...

  17. Statistical thermodynamics of alloys

    CERN Document Server

    Gokcen, N A


    This book is intended for scientists, researchers, and graduate students interested in solutions in general, and solutions of metals in particular. Readers are assumed to have a good background in thermodynamics, presented in such books as those cited at the end of Chapter 1, "Thermo­ dynamic Background." The contents of the book are limited to the solutions of metals + metals, and metals + metalloids, but the results are also appli­ cable to numerous other types of solutions encountered by metallurgists, materials scientists, geologists, ceramists, and chemists. Attempts have been made to cover each topic in depth with numerical examples whenever necessary. Chapter 2 presents phase equilibria and phase diagrams as related to the thermodynamics of solutions. The emphasis is on the binary diagrams since the ternary diagrams can be understood in terms of the binary diagrams coupled with the phase rule, and the Gibbs energies of mixing. The cal­ culation of thermodynamic properties from the phase diagrams is ...

  18. Atmospheric thermodynamics

    CERN Document Server

    Iribarne, J V


    The thermodynamics of the atmosphere is the subject of several chapters in most textbooks on dynamic meteorology, but there is no work in English to give the subject a specific and more extensive treatment. In writing the present textbook, we have tried to fill this rather remarkable gap in the literature related to atmospheric sciences. Our aim has been to provide students of meteorology with a book that can playa role similar to the textbooks on chemical thermodynamics for the chemists. This implies a previous knowledge of general thermodynamics, such as students acquire in general physics courses; therefore, although the basic principles are reviewed (in the first four chapters), they are only briefly discussed, and emphasis is laid on those topics that will be useful in later chapters, through their application to atmospheric problems. No attempt has been made to introduce the thermodynamics of irreversible processes; on the other hand, consideration of heterogeneous and open homogeneous systems permits a...

  19. Green thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Cengel, Y.A. [Nevada Univ., Reno, NV (United States). Dept. of Mechanical Engineering


    Green components of thermodynamics were identified and general aspects of green practices associated with thermodynamics were assessed. Energy uses associated with fossil fuels were reviewed. Green energy sources such as solar, wind, geothermal and hydropower were discussed, as well as biomass plantations. Ethanol production practices were reviewed. Conservation practices in the United States were outlined. Energy efficiency and exergy analyses were discussed. Energy intensity measurements and insulation products for houses were also reviewed. Five case studies were presented to illustrate aspects of green thermodynamics: (1) light in a classroom; (2) fuel saved by low-resistance tires; and (3) savings with high-efficiency motors; (4) renewable energy; and (5) replacing a valve with a turbine at a cryogenic manufacturing facility. It was concluded that the main principles of green thermodynamics are to ensure that all material and energy inputs minimize the depletion of energy resources; prevent waste; and improve or innovate technologies that achieve sustainability. 17 refs., 2 tabs., 9 figs.

  20. A unifying model for non-adiabatic coupling at metallic surfaces beyond the local harmonic approximation: from vibrational relaxation to scanning tunneling microscopy. (United States)

    Tremblay, Jean Christophe


    A model for treating excitation and relaxation of adsorbates at metallic surfaces induced by non-adiabatic coupling is developed. The derivation is based on the concept of resonant electron transfer, where the adsorbate serves as a molecular bridge for the inelastic transition between an electron source and a sink. In this picture, energy relaxation and scanning tunneling microscopy (STM) at metallic surfaces are treated on an equal footing as a quasi-thermal process. The model goes beyond the local harmonic approximation and allows for an unbiased description of floppy systems with multiple potential wells. Further, the limitation of the product ansatz for the vibronic wave function to include the position-dependence of the non-adiabatic couplings is avoided by explicitly enforcing detailed balance. The theory is applied to the excitation of hydrogen on palladium, which has multiple local potential minima connected by low energy barriers. The main aspects investigated are the lifetimes of adsorbate vibrations in different adsorption sites, as well as the dependence of the excitation, response, and transfer rates on an applied potential bias. The excitation and relaxation simulations reveal intricate population dynamics that depart significantly from the simplistic tunneling model in a truncated harmonic potential. In particular, the population decay from an initially occupied local minimum induced by the contact with an STM tip is found to be better described by a double exponential. The two rates are interpreted as a response to the system perturbation and a transfer rate following the perturbation. The transfer rate is found to obey a power law, as was the case in previous experimental and theoretical work.

  1. Coupled magneto-electro-mechanical lumped parameter model for a novel vibration-based magneto-electro-elastic energy harvesting systems (United States)

    Shirbani, Meisam Moory; Shishesaz, Mohammad; Hajnayeb, Ali; Sedighi, Hamid Mohammad


    The objective of this paper is to present a coupled magneto-electro-mechanical (MEM) lumped parameter model for the response of the proposed magneto-electro-elastic (MEE) energy harvesting systems under base excitation. The proposed model can be used to create self-powering systems, which are not limited to a finite battery energy. As a novel approach, the MEE composites are used instead of the conventional piezoelectric materials in order to enhance the harvested electrical power. The considered structure consists of a MEE layer deposited on a layer of non-MEE material, in the framework of unimorph cantilever bars (longitudinal displacement) and beams (transverse displacement). To use the generated electrical potential, two electrodes are connected to the top and bottom surfaces of the MEE layer. Additionally, a stationary external coil is wrapped around the vibrating structure to induce a voltage in the coil by the magnetic field generated in the MEE layer. In order to simplify the design procedure of the proposed energy harvester and obtain closed form solutions, a lumped parameter model is prepared. As a first step in modeling process, the governing constitutive equations, Gauss's and Faraday's laws, are used to derive the coupled MEM differential equations. The derived equations are then solved analytically to obtain the dynamic behavior and the harvested voltages and powers of the proposed energy harvesting systems. Finally, the influences of the parameters that affect the performance of the MEE energy harvesters such as excitation frequency, external resistive loads and number of coil turns are discussed in detail. The results clearly show the benefit of the coil circuit implementation, whereby significant increases in the total useful harvested power as much as 38% and 36% are obtained for the beam and bar systems, respectively.

  2. Impact Coefficient Analysis of Long-Span Railway Cable-Stayed Bridge Based on Coupled Vehicle-Bridge Vibration

    Directory of Open Access Journals (Sweden)

    Yongle Li


    Full Text Available Compared with medium and small span bridges, very limited attention has been paid on the research of the impact coefficient of long-span railway bridges. To estimate the impact effects of long-span railway bridges subjected to moving vehicles, a real long-span railway cable-stayed bridge is regarded as the research object in this study, and a coupled model of vehicle-bridge system is established. The track irregularities are taken as the system excitation and the dynamic responses of the vehicle-bridge system are calculated. The impact effects on main girder, stayed cable, bearings, and bridge tower are discussed at various vehicle speeds. The results show that different components of the long-span railway cable-stayed bridge have different impact coefficients. Even for each part, the impact coefficient is also different at different local positions. It reveals that the impact coefficients in the actual situation may have significant differences with the related code clauses in the present design codes.

  3. Combination resonances in forced vibration of spar-type floating substructure with nonlinear coupled system in heave and pitch motion

    Directory of Open Access Journals (Sweden)

    Eung-Young Choi


    Full Text Available A spar-type floating substructure that is being widely used for offshore wind power generation is vulnerable to resonance in the heave direction because of its small water plane area. For this reason, the stable dynamic response of this floating structure should be ensured by accurately identifying the resonance characteristics. The purpose of this study is to analyze the characteristics of the combination resonance between the excitation frequency of a regular wave and natural frequencies of the floating substructure. First, the nonlinear equations of motion with two degrees of freedom are derived by assuming that the floating substructure is a rigid body, where the heaving motion and pitching motions are coupled. Moreover, to identify the characteristics of the combination resonance, the nonlinear term in the nonlinear equations is approximated up to the second order using the Taylor series expansion. Furthermore, the validity of the approximate model is confirmed through a comparison with the results of a numerical analysis which is made by applying the commercial software ANSYS AQWA to the full model. The result indicates that the combination resonance occurs at the frequencies of ω±ωn5 and 2ωn5 between the excitation frequency (ω of a regular wave and the natural frequency of the pitching motion (ωn5 of the floating substructure.

  4. Entropy in sound and vibration: towards a new paradigm. (United States)

    Le Bot, A


    This paper describes a discussion on the method and the status of a statistical theory of sound and vibration, called statistical energy analysis (SEA). SEA is a simple theory of sound and vibration in elastic structures that applies when the vibrational energy is diffusely distributed. We show that SEA is a thermodynamical theory of sound and vibration, based on a law of exchange of energy analogous to the Clausius principle. We further investigate the notion of entropy in this context and discuss its meaning. We show that entropy is a measure of information lost in the passage from the classical theory of sound and vibration and SEA, its thermodynamical counterpart.

  5. Vibration response of misaligned rotors (United States)

    Patel, Tejas H.; Darpe, Ashish K.


    Misalignment is one of the common faults observed in rotors. Effect of misalignment on vibration response of coupled rotors is investigated in the present study. The coupled rotor system is modelled using Timoshenko beam elements with all six dof. An experimental approach is proposed for the first time for determination of magnitude and harmonic nature of the misalignment excitation. Misalignment effect at coupling location of rotor FE model is simulated using nodal force vector. The force vector is found using misalignment coupling stiffness matrix, derived from experimental data and applied misalignment between the two rotors. Steady-state vibration response is studied for sub-critical speeds. Effect of the types of misalignment (parallel and angular) on the vibration behaviour of the coupled rotor is examined. Along with lateral vibrations, axial and torsional vibrations are also investigated and nature of the vibration response is also examined. It has been found that the misalignment couples vibrations in bending, longitudinal and torsional modes. Some diagnostic features in the fast Fourier transform (FFT) of torsional and longitudinal response related to parallel and angular misalignment have been revealed. Full spectra and orbit plots are effectively used to reveal the unique nature of misalignment fault leading to reliable misalignment diagnostic information, not clearly brought out by earlier studies.

  6. Stochastic thermodynamics (United States)

    Eichhorn, Ralf; Aurell, Erik


    'Stochastic thermodynamics as a conceptual framework combines the stochastic energetics approach introduced a decade ago by Sekimoto [1] with the idea that entropy can consistently be assigned to a single fluctuating trajectory [2]'. This quote, taken from Udo Seifert's [3] 2008 review, nicely summarizes the basic ideas behind stochastic thermodynamics: for small systems, driven by external forces and in contact with a heat bath at a well-defined temperature, stochastic energetics [4] defines the exchanged work and heat along a single fluctuating trajectory and connects them to changes in the internal (system) energy by an energy balance analogous to the first law of thermodynamics. Additionally, providing a consistent definition of trajectory-wise entropy production gives rise to second-law-like relations and forms the basis for a 'stochastic thermodynamics' along individual fluctuating trajectories. In order to construct meaningful concepts of work, heat and entropy production for single trajectories, their definitions are based on the stochastic equations of motion modeling the physical system of interest. Because of this, they are valid even for systems that are prevented from equilibrating with the thermal environment by external driving forces (or other sources of non-equilibrium). In that way, the central notions of equilibrium thermodynamics, such as heat, work and entropy, are consistently extended to the non-equilibrium realm. In the (non-equilibrium) ensemble, the trajectory-wise quantities acquire distributions. General statements derived within stochastic thermodynamics typically refer to properties of these distributions, and are valid in the non-equilibrium regime even beyond the linear response. The extension of statistical mechanics and of exact thermodynamic statements to the non-equilibrium realm has been discussed from the early days of statistical mechanics more than 100 years ago. This debate culminated in the development of linear response

  7. Modern thermodynamics

    CERN Document Server

    Ben-Naim, Arieh


    This textbook introduces thermodynamics with a modern approach, starting from four fundamental physical facts (the atomic nature of matter, the indistinguishability of atoms and molecules of the same species, the uncertainty principle, and the existence of equilibrium states) and analyzing the behavior of complex systems with the tools of information theory, in particular with Shannon's measure of information (or SMI), which can be defined on any probability distribution. SMI is defined and its properties and time evolution are illustrated, and it is shown that the entropy is a particular type of SMI, i.e. the SMI related to the phase-space distribution for a macroscopic system at equilibrium. The connection to SMI allows the reader to understand what entropy is and why isolated systems follow the Second Law of Thermodynamics. The Second Llaw is also formulated for other systems, not thermally isolated and even open with respect to the transfer of particles. All the fundamental aspects of thermodynamics are d...

  8. Low-energy isovector quadrupole vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Faessler, A.; Nojarov, R.


    The low-lying isovector quadrupole vibrations are described by an extension of the vibrational model allowing independent proton and neutron vibrations coupled by the symmetry energy. The recently detected low-lying isovector states in nearly spherical nuclei with N=84 are described well concerning their energies and E2/M1 mixing ratios. (orig.).

  9. Intermolecular Interactions and Thermodynamic Properties of 3,6 ...

    African Journals Online (AJOL)

    Natural bond orbital (NBO) analysis was performed to reveal the origin of the interaction. Based on the vibrational analysis, the standard thermodynamic functions (heat capacities (cop), entropies (Som ) and enthalpies (Hom)) and the changes of thermodynamic properties from the monomer to dimer with the temperature ...

  10. Quantum Thermodynamics with Degenerate Eigenstate Coherences

    Directory of Open Access Journals (Sweden)

    Gregory Bulnes Cuetara


    Full Text Available We establish quantum thermodynamics for open quantum systems weakly coupled to their reservoirs when the system exhibits degeneracies. The first and second law of thermodynamics are derived, as well as a finite-time fluctuation theorem for mechanical work and energy and matter currents. Using a double quantum dot junction model, local eigenbasis coherences are shown to play a crucial role on thermodynamics and on the electron counting statistics.

  11. Theoretical coupling longitudinal-transverse model and experimental verification of transverse vibration of rope for multi-rope friction hoisting system

    National Research Council Canada - National Science Library

    Juan Wu Ziming Kou


    .... The modified Galerkin's method was used to discretize partial differential Eqs. The mine hoisting system was used to the example to analysis the relation between the load, velocity and transverse vibration of rope...

  12. Solvation thermodynamics

    CERN Document Server

    Ben-Naim, Arieh


    This book deals with a subject that has been studied since the beginning of physical chemistry. Despite the thousands of articles and scores of books devoted to solvation thermodynamics, I feel that some fundamen­ tal and well-established concepts underlying the traditional approach to this subject are not satisfactory and need revision. The main reason for this need is that solvation thermodynamics has traditionally been treated in the context of classical (macroscopic) ther­ modynamics alone. However, solvation is inherently a molecular pro­ cess, dependent upon local rather than macroscopic properties of the system. Therefore, the starting point should be based on statistical mechanical methods. For many years it has been believed that certain thermodynamic quantities, such as the standard free energy (or enthalpy or entropy) of solution, may be used as measures of the corresponding functions of solvation of a given solute in a given solvent. I first challenged this notion in a paper published in 1978 b...

  13. Thermodynamics properties of diatomic molecules with general ...

    Indian Academy of Sciences (India)



    Jan 10, 2018 ... S and vibrational specific heat capacity C. These thermodynamic functions are studied for the electronic state X1 + g of K2 diatomic molecules. Keywords. Asymptotic iteration method; diatomic molecules; general molecular potential; partition function. PACS Nos 03.65.Ge; 03.65.Ca. 1. Introduction.

  14. The Thermodynamic Machinery of Life

    CERN Document Server

    Kurzynski, Michal


    Living organisms are open thermodynamic systems whose functional structure has developed and been kinetically frozen during the historical process of biological evolution. A thermodynamics of both nonequilibrium and complex systems is needed for their description. In this book, the foundations of such a thermodynamics are presented. Biological processes at the cellular level are considered as coupled chemical reactions and transport processes across internal and the cytoplasmic membrane. All these processes are catalyzed by specific enzymes hence the kinetics of enzymatic catalysis and its control are described here in detail. The coupling of several processes through a common enzyme is considered in the context of free energy or signal transduction. Special attention is paid to evidence for a rich stochastic internal dynamics of native proteins and its possible role in the control of enzyme activity and in the action of biological molecular machines.

  15. Mitochondrial oxidative phosphorylation thermodynamic efficiencies reflect physiological organ roles

    National Research Council Canada - National Science Library

    Charles B. Cairns; James Walther; Alden H. Harken; Anirban Banerjee


    .... The theoretical and observed determinations of coupling of oxidative phosphorylation in mitochondria from rat liver, heart, and brain were compared using classical and nonequilibrium thermodynamic measures...

  16. Thermodynamics of asymptotically safe theories

    DEFF Research Database (Denmark)

    Rischke, Dirk H.; Sannino, Francesco


    We investigate the thermodynamic properties of a novel class of gauge-Yukawa theories that have recently been shown to be completely asymptotically safe, because their short-distance behaviour is determined by the presence of an interacting fixed point. Not only do all the coupling constants freeze...

  17. Vibrations and waves

    CERN Document Server

    Kaliski, S


    This book gives a comprehensive overview of wave phenomena in different media with interacting mechanical, electromagnetic and other fields. Equations describing wave propagation in linear and non-linear elastic media are followed by equations of rheological models, models with internal rotational degrees of freedom and non-local interactions. Equations for coupled fields: thermal, elastic, electromagnetic, piezoelectric, and magneto-spin with adequate boundary conditions are also included. Together with its companion volume Vibrations and Waves. Part A: Vibrations this work provides a wealth

  18. Phantom thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez-Diaz, Pedro F. [Colina de los Chopos, Centro de Fisica ' Miguel A. Catalan' , Instituto de Matematicas y Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 121, 28006 Madrid (Spain)]. E-mail:; Sigueenza, Carmen L. [Colina de los Chopos, Centro de Fisica ' Miguel A. Catalan' , Instituto de Matematicas y Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 121, 28006 Madrid (Spain)


    This paper deals with the thermodynamic properties of a phantom field in a flat Friedmann-Robertson-Walker universe. General expressions for the temperature and entropy of a general dark-energy field with equation of state p={omega}{rho} are derived from which we have deduced that, whereas the temperature of a cosmic phantom fluid ({omega}-1) is definite negative, its entropy is always positive. We interpret that result in terms of the intrinsic quantum nature of the phantom field and apply it to (i) attain a consistent explanation for some recent results concerning the evolution of black holes which,induced by accreting phantom energy, gradually loss their mass to finally vanish exactly at the big rip, and (ii) introduce the concept of cosmological information and its relation with life and the anthropic principle. Some quantum statistical-thermodynamic properties of the quantum field are also considered that include a generalized Wien law and the prediction of some novel phenomena such as the stimulated absorption of phantom energy and the anti-laser effect.

  19. Vibrational spectroscopy of the G...C base pair: Experiment, harmonic and anharmonic calculations, and the nature of the anharmonic couplings

    Czech Academy of Sciences Publication Activity Database

    Brauer, B.; Gerber, R. B.; Kabeláč, Martin; Hobza, Pavel; Bakker, J. M.; Abo-Riziq, A.; Vries de, M. S.


    Roč. 109, - (2005), s. 6974-6984 ISSN 1089-5639 Grant - others:NSF(US) CHE-0244341 Institutional research plan: CEZ:AV0Z40550506 Keywords : nucleic acids bases * vibrational spectrum * frequencies anharmonicity Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.898, year: 2005

  20. Thermodynamics of freezing and melting

    DEFF Research Database (Denmark)

    Pedersen, Ulf Rørbæk; Costigliola, Lorenzo; Bailey, Nicholas


    Although the freezing of liquids and melting of crystals are fundamental for many areas of the sciences, even simple properties like the temperature–pressure relation along the melting line cannot be predicted today. Here we present a theory in which properties of the coexisting crystal and liquid...... phases at a single thermodynamic state point provide the basis for calculating the pressure, density and entropy of fusion as functions of temperature along the melting line, as well as the variation along this line of the reduced crystalline vibrational mean-square displacement (the Lindemann ratio...

  1. Equilibrium thermodynamics

    CERN Document Server

    Oliveira, Mário J


    This textbook provides an exposition of equilibrium thermodynamics and its applications to several areas of physics with particular attention to phase transitions and critical phenomena. The applications include several areas of condensed matter physics and include also a chapter on thermochemistry. Phase transitions and critical phenomena are treated according to the modern development of the field, based on the ideas of universality and on the Widom scaling theory. For each topic, a mean-field or Landau theory is presented to describe qualitatively the phase transitions.  These theories include the van der Waals theory of the liquid-vapor transition, the Hildebrand-Heitler theory of regular mixtures, the Griffiths-Landau theory for multicritical points in multicomponent systems, the Bragg-Williams theory of order-disorder in alloys, the Weiss theory of ferromagnetism, the Néel theory of antiferromagnetism, the Devonshire theory for ferroelectrics and Landau-de Gennes theory of liquid crystals. This textbo...

  2. Equilibrium thermodynamics

    CERN Document Server

    de Oliveira, Mário J


    This textbook provides an exposition of equilibrium thermodynamics and its applications to several areas of physics with particular attention to phase transitions and critical phenomena. The applications include several areas of condensed matter physics and include also a chapter on thermochemistry. Phase transitions and critical phenomena are treated according to the modern development of the field, based on the ideas of universality and on the Widom scaling theory. For each topic, a mean-field or Landau theory is presented to describe qualitatively the phase transitions. These theories include the van der Waals theory of the liquid-vapor transition, the Hildebrand-Heitler theory of regular mixtures, the Griffiths-Landau theory for multicritical points in multicomponent systems, the Bragg-Williams theory of order-disorder in alloys, the Weiss theory of ferromagnetism, the Néel theory of antiferromagnetism, the Devonshire theory for ferroelectrics and Landau-de Gennes theory of liquid crystals. This new edit...

  3. Monitoring vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Tiryaki, B. [Hacettepe University (Turkey). Dept. of Mining Engineering


    The paper examines the prediction and optimisation of machine vibrations in longwall shearers. Underground studies were carried out at the Middle Anatolian Lignite Mine, between 1993 and 1997. Several shearer drums with different pick lacing arrangements were designed and tested on double-ended ranging longwall shearers employed at the mine. A computer program called the Vibration Analysis Program (VAP) was developed for analysing machine vibrations in longwall shearers. Shearer drums that were tested underground, as well as some provided by leading manufacturers, were analyzed using these programs. The results of the experiments and computer analyses are given in the article. 4 refs., 9 figs.

  4. Vibrational spectra, electronic absorption, nonlinear optical properties, evaluation of bonding, chemical reactivity and thermodynamic properties of ethyl 4-(1-(2-(hydrazinecarbonothioyl)hydrazono)ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate molecule by ab initio HF and density functional methods. (United States)

    Singh, R N; Rawat, Poonam; Sahu, Sangeeta


    In this work, detailed vibrational spectral analysis of ethyl 4-(1-(2-(hydrazinecarbonothioyl)hydrazono)ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (EHCHEDPC) molecule has been carried out using FT-IR spectroscopy and potential energy distribution (PED). Theoretical calculations were performed by ab initio RHF and density functional theory (DFT) method, using 6-31G(d,p) and 6-311+G(d,p) basis sets. The other carried outwork cover: structural, thermodynamic properties, electronic transitions, bonding, multiple interaction, chemical reactivity and hyperpolarizability analysis. The results of the calculation were applied to the simulated spectra of (EHCHEDPC), which show excellent agreement with observed spectra. The vibrational analysis shows red shift in both group, the proton donor (pyrrole N-H) and proton acceptor (C=O of ester) indicating the presence of intermolecular hydrogen bonding. Time dependent density functional theory (TD-DFT) has been used to find electronic excitations and their nature. The results of natural bond orbital (NBOs) analysis show the charges transfer and delocalization in various intra- and intermolecular interactions. The binding energy of intermolecular multiple interactions is calculated to be 12.54 kcal mol(-1) using QTAIM calculation. The electronic descriptors analyses reveal the investigated molecule used as precursor for heterocyclic derivatives synthesis. First hyperpolarizability (β0) has been computed to evaluate non-linear optical (NLO) response. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. Generation of rotary vibrations in internal combustion engines with elastically coupled electric power systems; Erzeugung von verbrennungsmotorischen Drehschwingungen mit elastisch gekoppelten elektrischen Antrieben

    Energy Technology Data Exchange (ETDEWEB)

    Falkenstein, Jens Werner [Rostock Univ. (Germany). Inst. fuer Antriebstechnik und Mechatronik


    The design of motor car powertrains requires simulations as well as prototype tests. For the simulations, prototype parameters must be identified on test rigs, simulation results must be verified, and life tests must be carried out. This necessitates realistic and reproducible excitation of vibrations. Thee book describes the development and construction of a test rig which, with the aid of electric power systems, induces rotary vibrations like those which may occur in internal combustion engines due to gas forces and unbalanced mass forces. In combination with excess resonance, the test stand achieves high dynamics with average rotary momenta up to 600 Nm. The development process is documented, from test stand design with specially developed servo-engines to the control hardware to modelling, control element design, and commissioning. (orig.)

  6. Free and Forced Vibrations of a Shaft and Propeller Using the Couple of Finite Volume Method, Boundary Element Method and Finite Element Method


    E. Yari; H. Ghassemi


    The main objective of this paper is to provide an applied algorithm for analyzing propeller-shaft vibrations in marine vessels. Firstly an underwater marine vehicle has been analyzed at different speed in unsteady condition using the finite volume method. Based on the results of this analysis, flow field of marine vehicle (wake of stern) and velocity inlet to the marine propeller  is extracted at different times. Propeller inlet flow field is applied in the boundary element code and usin...

  7. Flow vibration-doubled concentric system coupled with low ratio amine to produce bile acid-macrocapsules of β-cells. (United States)

    Mooranian, Armin; Negrulj, Rebecca; Al-Salami, Hani


    Pancreatic β-cell microencapsulation using sodium alginate (SA), polylornithine (PLO) copolymers, and ultrasoluble hydrogels, polystyrenes and polyallamines (PAA), has been heavily studied. However, long-term success remains limited due to poor macrocapsules' physical properties and cell functions. Our study aimed to incorporate percentages of PAA and ursodeoxycholic acid, into SA and PLO dispersion mixture and examine best microencapsulating methods and best macrocapsules containing β-cells. Microencapsulating parameters were examined and the Flow-Vibrational Nozzle built-in system was screened and found to be most efficient at high frequency (1900 Hz). Macrocapsules were produced with or without ursodeoxycholic acid in percentages: 0.018SA:0.01PLO:0.005PAA:0.04ursodeoxycholic acid (up to 100% H2O). Using the refined microencapsulation method with vibrational frequency of 1900 Hz, macrocapsules with ursodeoxycholic acid had optimized cell viability and biological functions and ameliorated inflammatory biomarkers. High frequency and air-pressure with Flow-Vibrational encapsulation using the mixture: 0.018SA:0.01PLO:0.005PAA:0.04ursodeoxycholic acid resulted in better cell biology suggesting potentials in β-cell transplantation.

  8. Vibrational Diver (United States)

    Kozlov, Victor; Ivanova, Alevtina; Schipitsyn, Vitalii; Stambouli, Moncef


    The paper is concerned with dynamics of light solid in cavity with liquid subjected to rotational vibration in the external force field. New vibrational phenomenon - diving of a light cylinder to the cavity bottom is found. The experimental investigation of a horizontal annulus with a partition has shown that under vibration a light body situated in the upper part of the layer is displaced in a threshold manner some distance away from the boundary. In this case the body executes symmetric tangential oscillations. An increase of the vibration intensity leads to a tangential displacement of the body near the external boundary. This displacement is caused by the tangential component of the vibrational lift force, which appears as soon as the oscillations lose symmetry. In this case the trajectory of the body oscillatory motion has the form of a loop. The tangential lift force makes stable the position of the body on the inclined section of the layer and even in its lower part. A theoretical interpretation has been proposed, which explains stabilization of a quasi-equilibrium state of a light body near the cavity bottom in the framework of vibrational hydromechanics.

  9. Thermodynamics of Radiation Modes (United States)

    Pina, Eduardo; de la Selva, Sara Maria Teresa


    We study the equilibrium thermodynamics of the electromagnetic radiation in a cavity of a given volume and temperature. We found three levels of description, the thermodynamics of one mode, the thermodynamics of the distribution of frequencies in a band by summing over the frequencies in it and the global thermodynamics by summing over all the…

  10. Mathematical foundations of thermodynamics

    CERN Document Server

    Giles, R; Stark, M; Ulam, S


    Mathematical Foundations of Thermodynamics details the core concepts of the mathematical principles employed in thermodynamics. The book discusses the topics in a way that physical meanings are assigned to the theoretical terms. The coverage of the text includes the mechanical systems and adiabatic processes; topological considerations; and equilibrium states and potentials. The book also covers Galilean thermodynamics; symmetry in thermodynamics; and special relativistic thermodynamics. The book will be of great interest to practitioners and researchers of disciplines that deal with thermodyn

  11. eQuilibrator—the biochemical thermodynamics calculator (United States)

    Flamholz, Avi; Noor, Elad; Bar-Even, Arren; Milo, Ron


    The laws of thermodynamics constrain the action of biochemical systems. However, thermodynamic data on biochemical compounds can be difficult to find and is cumbersome to perform calculations with manually. Even simple thermodynamic questions like ‘how much Gibbs energy is released by ATP hydrolysis at pH 5?’ are complicated excessively by the search for accurate data. To address this problem, eQuilibrator couples a comprehensive and accurate database of thermodynamic properties of biochemical compounds and reactions with a simple and powerful online search and calculation interface. The web interface to eQuilibrator ( enables easy calculation of Gibbs energies of compounds and reactions given arbitrary pH, ionic strength and metabolite concentrations. The eQuilibrator code is open-source and all thermodynamic source data are freely downloadable in standard formats. Here we describe the database characteristics and implementation and demonstrate its use. PMID:22064852

  12. Blade Vibration Measurement System (United States)

    Platt, Michael J.


    The Phase I project successfully demonstrated that an advanced noncontacting stress measurement system (NSMS) could improve classification of blade vibration response in terms of mistuning and closely spaced modes. The Phase II work confirmed the microwave sensor design process, modified the sensor so it is compatible as an upgrade to existing NSMS, and improved and finalized the NSMS software. The result will be stand-alone radar/tip timing radar signal conditioning for current conventional NSMS users (as an upgrade) and new users. The hybrid system will use frequency data and relative mode vibration levels from the radar sensor to provide substantially superior capabilities over current blade-vibration measurement technology. This frequency data, coupled with a reduced number of tip timing probes, will result in a system capable of detecting complex blade vibrations that would confound traditional NSMS systems. The hardware and software package was validated on a compressor rig at Mechanical Solutions, Inc. (MSI). Finally, the hybrid radar/tip timing NSMS software package and associated sensor hardware will be installed for use in the NASA Glenn spin pit test facility.

  13. synthesis, characterization and thermodynamic studies of ...

    African Journals Online (AJOL)

    Preferred Customer

    coupling constant values are 77 Hz and 73 Hz, which are almost similar with the coupling constant previously reported for six .... Harmonic vibrational frequency calculations at HF/3-21G* level confirmed the structures as minima and enabled the evaluation of zero point energies (ZPE). The stabilization energy of products ...

  14. Biobjective Optimization of Vibration Performance of Steel-Spring Floating Slab Tracks by Four-Pole Parameter Method Coupled with Ant Colony Optimization

    Directory of Open Access Journals (Sweden)

    Hao Jin


    Full Text Available Steel-spring floating slab tracks are one of the most effective methods to reduce vibrations from underground railways, which has drawn more and more attention in scientific communities. In this paper, the steel-spring floating slab track located in Track Vibration Abatement and Control Laboratory was modeled with four-pole parameter method. The influences of the fastener damping ratio, the fastener stiffness, the steel-spring damping ratio, and the steel-spring stiffness were researched for the rail displacement and the foundation acceleration. Results show that the rail displacement and the foundation acceleration will decrease with the increase of the fastener stiffness or the steel-spring damping ratio. However, the rail displacement and the foundation acceleration have the opposite variation tendency for the fastener damping ratio and the steel-spring stiffness. In order to optimize the rail displacement and the foundation acceleration affected by the fastener damping ratio and the steel-spring stiffness at the same time, a multiobjective ant colony optimization (ACO was employed. Eventually, Pareto optimal frontier of the rail displacement and the foundation acceleration was derived. Furthermore, the desirable values of the fastener damping ratio and the steel-spring stiffness can be obtained according to the corresponding Pareto optimal solution set.

  15. Thermodynamic tables to accompany Modern engineering thermodynamics

    CERN Document Server

    Balmer, Robert T


    This booklet is provided at no extra charge with new copies of Balmer's Modern Engineering Thermodynamics. It contains two appendices. Appendix C contains 40 thermodynamic tables, and Appendix D consists of 6 thermodynamic charts. These charts and tables are provided in a separate booklet to give instructors the flexibility of allowing students to bring the tables into exams. The booklet may be purchased separately if needed.

  16. Classical and statistical thermodynamics

    CERN Document Server

    Rizk, Hanna A


    This is a text book of thermodynamics for the student who seeks thorough training in science or engineering. Systematic and thorough treatment of the fundamental principles rather than presenting the large mass of facts has been stressed. The book includes some of the historical and humanistic background of thermodynamics, but without affecting the continuity of the analytical treatment. For a clearer and more profound understanding of thermodynamics this book is highly recommended. In this respect, the author believes that a sound grounding in classical thermodynamics is an essential prerequisite for the understanding of statistical thermodynamics. Such a book comprising the two wide branches of thermodynamics is in fact unprecedented. Being a written work dealing systematically with the two main branches of thermodynamics, namely classical thermodynamics and statistical thermodynamics, together with some important indexes under only one cover, this treatise is so eminently useful.

  17. Quenching of self-excited vibrations

    NARCIS (Netherlands)

    Verhulst, F.


    Stable normal-mode vibrations in engineering can be undesirable and one of the possibilities for quenching these is by embedding the oscillator in an autoparametric system by coupling to a damped oscillator. There exists the possibility of destabilizing the undesirable vibrations by a suitable

  18. Good vibrations. [Hydraulic turbines

    Energy Technology Data Exchange (ETDEWEB)

    Reynolds, P.


    The latest developments in the Voith Turbine Control and Automation System (VTLS), which couples digital control technology to hydropower plant equipment, are described. Prominent among these is the vibration diagnostics module for hydraulic turbines. It provides machine-specific diagnostic logic for a vibration monitoring and analysis system. Of the two other VTLS modules described, the operation module optimizes the control of a power plant with three or more turbines by considering the individual properties of each in turn, recommending which should be run, and how, in order to partition the load for a required power output. The cavitation module is a diagnostic system which enables the limits of operation of the turbines to be extended to bands just outside those determined by cavitation calculations. (3 figures). (UK)

  19. Vibrating minds

    CERN Document Server


    Ed Witten is one of the leading scientists in the field of string theory, the theory that describes elementary particles as vibrating strings. This week he leaves CERN after having spent a few months here on sabbatical. His wish is that the LHC will unveil supersymmetry.

  20. Simulating Metabolism with Statistical Thermodynamics (United States)

    Cannon, William R.


    New methods are needed for large scale modeling of metabolism that predict metabolite levels and characterize the thermodynamics of individual reactions and pathways. Current approaches use either kinetic simulations, which are difficult to extend to large networks of reactions because of the need for rate constants, or flux-based methods, which have a large number of feasible solutions because they are unconstrained by the law of mass action. This report presents an alternative modeling approach based on statistical thermodynamics. The principles of this approach are demonstrated using a simple set of coupled reactions, and then the system is characterized with respect to the changes in energy, entropy, free energy, and entropy production. Finally, the physical and biochemical insights that this approach can provide for metabolism are demonstrated by application to the tricarboxylic acid (TCA) cycle of Escherichia coli. The reaction and pathway thermodynamics are evaluated and predictions are made regarding changes in concentration of TCA cycle intermediates due to 10- and 100-fold changes in the ratio of NAD+:NADH concentrations. Finally, the assumptions and caveats regarding the use of statistical thermodynamics to model non-equilibrium reactions are discussed. PMID:25089525

  1. Simulating metabolism with statistical thermodynamics. (United States)

    Cannon, William R


    New methods are needed for large scale modeling of metabolism that predict metabolite levels and characterize the thermodynamics of individual reactions and pathways. Current approaches use either kinetic simulations, which are difficult to extend to large networks of reactions because of the need for rate constants, or flux-based methods, which have a large number of feasible solutions because they are unconstrained by the law of mass action. This report presents an alternative modeling approach based on statistical thermodynamics. The principles of this approach are demonstrated using a simple set of coupled reactions, and then the system is characterized with respect to the changes in energy, entropy, free energy, and entropy production. Finally, the physical and biochemical insights that this approach can provide for metabolism are demonstrated by application to the tricarboxylic acid (TCA) cycle of Escherichia coli. The reaction and pathway thermodynamics are evaluated and predictions are made regarding changes in concentration of TCA cycle intermediates due to 10- and 100-fold changes in the ratio of NAD+:NADH concentrations. Finally, the assumptions and caveats regarding the use of statistical thermodynamics to model non-equilibrium reactions are discussed.

  2. Treatise on thermodynamics

    CERN Document Server

    Planck, Max Karl Ernst Ludwig

    Great classic, still one of the best introductions to thermodynamics. Fundamentals, first and second principles of thermodynamics, applications to special states of equilibrium, more. Numerous worked examples. 1917 edition.

  3. Vibration Damping Circuit Card Assembly (United States)

    Hunt, Ronald Allen (Inventor)


    A vibration damping circuit card assembly includes a populated circuit card having a mass M. A closed metal container is coupled to a surface of the populated circuit card at approximately a geometric center of the populated circuit card. Tungsten balls fill approximately 90% of the metal container with a collective mass of the tungsten balls being approximately (0.07) M.

  4. Thermodynamic Calculations for Systems Biocatalysis

    DEFF Research Database (Denmark)

    Abu, Rohana; Gundersen, Maria T.; Woodley, John M.


    ‘Systems Biocatalysis’ is a term describing multi-enzyme processes in vitro for the synthesis of chemical products. Unlike in-vivo systems, such an artificial metabolism can be controlled in a highly efficient way in order to achieve a sufficiently favourable conversion for a given target product...... the transamination of a pro-chiral ketone into a chiral amine (interesting in many pharmaceutical applications). Here, the products are often less energetically stable than the reactants, meaning that the reaction may be thermodynamically unfavourable. As in nature, such thermodynamically-challenged reactions can...... energy change, View the MathML source ΔGro′, of the overall cascade. The findings show that unfavourable reactions in the cascade can be improved by coupling to a favourable reaction giving more energetically stable products....

  5. Twenty lectures on thermodynamics

    CERN Document Server

    Buchdahl, H A


    Twenty Lectures on Thermodynamics is a course of lectures, parts of which the author has given various times over the last few years. The book gives the readers a bird's eye view of phenomenological and statistical thermodynamics. The book covers many areas in thermodynamics such as states and transition; adiabatic isolation; irreversibility; the first, second, third and Zeroth laws of thermodynamics; entropy and entropy law; the idea of the application of thermodynamics; pseudo-states; the quantum-static al canonical and grand canonical ensembles; and semi-classical gaseous systems. The text

  6. Introduction to applied thermodynamics

    CERN Document Server

    Helsdon, R M; Walker, G E


    Introduction to Applied Thermodynamics is an introductory text on applied thermodynamics and covers topics ranging from energy and temperature to reversibility and entropy, the first and second laws of thermodynamics, and the properties of ideal gases. Standard air cycles and the thermodynamic properties of pure substances are also discussed, together with gas compressors, combustion, and psychrometry. This volume is comprised of 16 chapters and begins with an overview of the concept of energy as well as the macroscopic and molecular approaches to thermodynamics. The following chapters focus o

  7. An approach for the assessment of the statistical aspects of the SEA coupling loss factors and the vibrational energy transmission in complex aircraft structures: Experimental investigation and methods benchmark (United States)

    Bouhaj, M.; von Estorff, O.; Peiffer, A.


    In the application of Statistical Energy Analysis ;SEA; to complex assembled structures, a purely predictive model often exhibits errors. These errors are mainly due to a lack of accurate modelling of the power transmission mechanism described through the Coupling Loss Factors (CLF). Experimental SEA (ESEA) is practically used by the automotive and aerospace industry to verify and update the model or to derive the CLFs for use in an SEA predictive model when analytical estimates cannot be made. This work is particularly motivated by the lack of procedures that allow an estimate to be made of the variance and confidence intervals of the statistical quantities when using the ESEA technique. The aim of this paper is to introduce procedures enabling a statistical description of measured power input, vibration energies and the derived SEA parameters. Particular emphasis is placed on the identification of structural CLFs of complex built-up structures comparing different methods. By adopting a Stochastic Energy Model (SEM), the ensemble average in ESEA is also addressed. For this purpose, expressions are obtained to randomly perturb the energy matrix elements and generate individual samples for the Monte Carlo (MC) technique applied to derive the ensemble averaged CLF. From results of ESEA tests conducted on an aircraft fuselage section, the SEM approach provides a better performance of estimated CLFs compared to classical matrix inversion methods. The expected range of CLF values and the synthesized energy are used as quality criteria of the matrix inversion, allowing to assess critical SEA subsystems, which might require a more refined statistical description of the excitation and the response fields. Moreover, the impact of the variance of the normalized vibration energy on uncertainty of the derived CLFs is outlined.

  8. Rational extended thermodynamics

    CERN Document Server

    Müller, Ingo


    Ordinary thermodynamics provides reliable results when the thermodynamic fields are smooth, in the sense that there are no steep gradients and no rapid changes. In fluids and gases this is the domain of the equations of Navier-Stokes and Fourier. Extended thermodynamics becomes relevant for rapidly varying and strongly inhomogeneous processes. Thus the propagation of high­ frequency waves, and the shape of shock waves, and the regression of small-scale fluctuation are governed by extended thermodynamics. The field equations of ordinary thermodynamics are parabolic while extended thermodynamics is governed by hyperbolic systems. The main ingredients of extended thermodynamics are • field equations of balance type, • constitutive quantities depending on the present local state and • entropy as a concave function of the state variables. This set of assumptions leads to first order quasi-linear symmetric hyperbolic systems of field equations; it guarantees the well-posedness of initial value problems and f...

  9. On the mechanical coupling of a fiber optic cable used for distributed acoustic/vibration sensing applications—a theoretical consideration (United States)

    Reinsch, Thomas; Thurley, Tom; Jousset, Philippe


    In recent years, fiber optic cables are increasingly used for the acquisition of dynamic strain changes for seismic surveys. When considering seismic amplitudes, one of the first questions arising is the mechanical coupling between optical fiber and the surrounding medium. Here we analyse the interaction of ground movement with a typical telecom-grade fiber optic cable from an existing telecommunication network deployed in a sand filled trench at the surface. Within the cable, the optical fiber is embedded in a gel-filled plastic tube. We apply Hooke’s law to calculate the stress needed to strain the optical fiber throughout the cable structure. In case the stress magnitude at the cable–sand interface as well as the gel–optical fiber interface is below the yield strength of the respective material, sand and gel, it can be regarded as an elastic medium. Hence, a multilayer radial symmetric model can be used to calculate the coupling of the optical fiber with the surrounding medium. We show that the transfer function has a -3 dB lower cut-off wavelength of about 22 m. The magnitude response of this telecom-grade fiber optic cable is therefore almost perfect at typical low frequency seismic waves. The approach presented here can be applied to various cable designs to estimate the strain transfer between ground movement and an optical fiber.

  10. Numerical study of the thermodynamics of clinoatacamite (United States)

    Khatami, Ehsan; Helton, Joel S.; Rigol, Marcos


    We study the thermodynamic properties of the clinoatacamite compound, Cu2(OH)3Cl, by considering several approximate models. They include the Heisenberg model on (i) the uniform pyrochlore lattice, (ii) a very anisotropic pyrochlore lattice, and (iii) a kagome lattice weakly coupled to spins that sit on a triangular lattice. We utilize the exact diagonalization of small clusters with periodic boundary conditions and implement a numerical linked-cluster expansion approach for quantum lattice models with reduced symmetries, which allows us to solve model (iii) in the thermodynamic limit. We find a very good agreement between the experimental uniform susceptibility and the numerical results for models (ii) and (iii), which suggests a weak ferromagnetic coupling between the kagome and triangular layers in clinoatacamite. We also study thermodynamic properties in a geometrical transition between a planar pyrochlore lattice and the kagome lattice.

  11. Urban vibrations

    DEFF Research Database (Denmark)

    Morrison, Ann; Knudsen, L.; Andersen, Hans Jørgen


      lab   studies   in   that   we   found   a   decreased   detection   rate   in   busy   environments.   Here   we   test   with   a   much   larger   sample   and   age   range,   and   contribute   with   the   first   vibration  sensitivity  testing  outside  the  lab  in  an  urban   public...

  12. Generalized second law of thermodynamic in modified teleparallel theory (United States)

    Zubair, M.; Bahamonde, Sebastian; Jamil, Mubasher


    This study is conducted to examine the validity of the generalized second law of thermodynamics (GSLT) in flat FRW for modified teleparallel gravity involving coupling between a scalar field with the torsion scalar T and the boundary term B=2\

  13. An introduction to equilibrium thermodynamics

    CERN Document Server

    Morrill, Bernard; Hartnett, James P; Hughes, William F


    An Introduction to Equilibrium Thermodynamics discusses classical thermodynamics and irreversible thermodynamics. It introduces the laws of thermodynamics and the connection between statistical concepts and observable macroscopic properties of a thermodynamic system. Chapter 1 discusses the first law of thermodynamics while Chapters 2 through 4 deal with statistical concepts. The succeeding chapters describe the link between entropy and the reversible heat process concept of entropy; the second law of thermodynamics; Legendre transformations and Jacobian algebra. Finally, Chapter 10 provides a

  14. Thermodynamics of Bioreactions. (United States)

    Held, Christoph; Sadowski, Gabriele


    Thermodynamic principles have been applied to enzyme-catalyzed reactions since the beginning of the 1930s in an attempt to understand metabolic pathways. Currently, thermodynamics is also applied to the design and analysis of biotechnological processes. The key thermodynamic quantity is the Gibbs energy of reaction, which must be negative for a reaction to occur spontaneously. However, the application of thermodynamic feasibility studies sometimes yields positive Gibbs energies of reaction even for reactions that are known to occur spontaneously, such as glycolysis. This article reviews the application of thermodynamics in enzyme-catalyzed reactions. It summarizes the basic thermodynamic relationships used for describing the Gibbs energy of reaction and also refers to the nonuniform application of these relationships in the literature. The review summarizes state-of-the-art approaches that describe the influence of temperature, pH, electrolytes, solvents, and concentrations of reacting agents on the Gibbs energy of reaction and, therefore, on the feasibility and yield of biological reactions.

  15. Density Functional Investigation of the Thermodynamic Stability of Lithium Oxide Bulk Crystalline Structures as a Function of Oxygen Pressure

    Energy Technology Data Exchange (ETDEWEB)

    Lau, Kah Chun; Curtiss, Larry A.; Greeley, Jeffrey P.


    Density functional theory is used together with classical statistical mechanical analyses to investigate the thermodynamic stability of bulk crystalline LiO2, Li2 O, and Li2O2 as a function of the oxygen environment. The results indicate that lithium peroxide (Li2O2(s)) and superoxide (LiO2(s)) are likely to be stable only under O2-rich conditions with high oxygen partial pressures (PΟ2), whereas Li2O is the most stable at ambient conditions. Additionally, the trends in the density functional calculated equilibrium potential for an ideal reversible Li-O2 couple can be described by an analytical equation as a function of pressure and temperature. As part of this work, we have also calculated the structure and thermodynamics for lithium superoxide. It is found to be stable with respect to lattice vibrations, with an O-O stretching vibration mode very similar to that of the isolated LiO2 molecule and to the O2 - ion radical.

  16. Density functional investigation of the thermodynamic stability of lithium oxide bulk crystalline structures as a function of oxygen pressure.

    Energy Technology Data Exchange (ETDEWEB)

    Lau, K. C.; Curtiss, L. A.; Greeley, J. (Center for Nanoscale Materials); ( MSD)


    Density functional theory is used together with classical statistical mechanical analyses to investigate the thermodynamic stability of bulk crystalline LiO{sub 2}, Li{sub 2}O, and Li{sub 2}O{sub 2} as a function of the oxygen environment. The results indicate that lithium peroxide (Li{sub 2}O{sub 2(s)}) and superoxide (LiO{sub 2(s)}) are likely to be stable only under O{sub 2}-rich conditions with high oxygen partial pressures (P?{sub 2}), whereas Li{sub 2}O is the most stable at ambient conditions. Additionally, the trends in the density functional calculated equilibrium potential for an ideal reversible Li-O{sub 2} couple can be described by an analytical equation as a function of pressure and temperature. As part of this work, we have also calculated the structure and thermodynamics for lithium superoxide. It is found to be stable with respect to lattice vibrations, with an O-O stretching vibration mode very similar to that of the isolated LiO{sub 2} molecule and to the O{sub 2}{sup -} ion radical.

  17. On thermodynamics and gravity (United States)

    Nagle, Ian


    A new entropic gravity inspired derivation of general relativity from thermodynamics is presented. This generalizes the "Thermodynamics of Spacetime" approach by T. Jacobson, which relies on the null Raychaudhuri evolution equation. Here the rest of the first law of thermodynamics is incorporated by using the null Damour-Navier-Stokes equation, known from the membrane paradigm for describing the tangential flow of deformations along a horizon.

  18. Stochastic Thermodynamics of Learning (United States)

    Goldt, Sebastian; Seifert, Udo


    Virtually every organism gathers information about its noisy environment and builds models from those data, mostly using neural networks. Here, we use stochastic thermodynamics to analyze the learning of a classification rule by a neural network. We show that the information acquired by the network is bounded by the thermodynamic cost of learning and introduce a learning efficiency η ≤1 . We discuss the conditions for optimal learning and analyze Hebbian learning in the thermodynamic limit.

  19. Internal rotation, spin-orbit coupling, and low-frequency vibrations in the ? ground state of CH3-CC-CH+3 and CD3-CC-CD+3 (United States)

    Jacovella, Ugo; Gans, Bérenger; Merkt, Frédéric


    Pulsed-field-ionisation zero-kinetic-energy (PFI-ZEKE) photoelectron spectra of 2-butyne (CH3-CC-CH3) and its fully deuterated isotopomer have been recorded in the region of the origin band of the ? ionising transition. The spectral congestion originating from the combined effects of the internal rotation of the methyl groups, the spin-orbit coupling, and the Jahn-Teller effect prevented the full resolution of the rotational structure of the photoelectron spectra. A tentative analysis of the rotational branch structure of the photoelectron spectra using rovibronic photoionisation selection rules derived in the permutation-inversion spin double group G36(M2) suggests a splitting of ∼10.5 cm-1 between the two spin-orbit components E3/2 and E1/2 of the ? 2 E1 ground state and an almost free internal rotation of the methyl groups in the cations. Assignments are proposed for several low-lying vibrational levels of the cations.

  20. Methods of thermodynamics

    CERN Document Server

    Reiss, Howard


    Since there is no shortage of excellent general books on elementary thermodynamics, this book takes a different approach, focusing attention on the problem areas of understanding of concept and especially on the overwhelming but usually hidden role of ""constraints"" in thermodynamics, as well as on the lucid exposition of the significance, construction, and use (in the case of arbitrary systems) of the thermodynamic potential. It will be especially useful as an auxiliary text to be used along with any standard treatment.Unlike some texts, Methods of Thermodynamics does not use statistical m

  1. Thermodynamics for separation-process technology

    Energy Technology Data Exchange (ETDEWEB)

    Prausnitz, J.M.


    When contemplating or designing a separation process, every chemical engineer at once recognizes the thermodynamic boundary conditions that must be satisfied: when a mixture is continuously processed to yield at least partially purified products, energy and mass must be conserved and work must be done. In his daily tasks, a chemical engineer uses thermodynamic concepts as tacit, almost subconscious, knowledge. Thus, qualitative thermodynamics significantly informs process conception at its most fundamental level. However, quantitative design requires detailed knowledge of thermodynamic relations and physical chemistry. Most process engineers, concerned with flow sheets and economics, cannot easily command that detailed knowledge and therefore it is advantageous for them to maintain close contact with those specialists who do. Quantitative chemical thermodynamics provides an opportunity to evaluate possible separation processes not only because it may give support to the process engineer`s bold imagination but also because, when coupled with molecular models, it can significantly reduce the experimental effort required to determine an optimum choice of process alternatives. Six examples are presented to indicate the application of thermodynamics for conventional and possible future separation processes.

  2. Thermodynamic properties of sea air

    Directory of Open Access Journals (Sweden)

    R. Feistel


    Full Text Available Very accurate thermodynamic potential functions are available for fluid water, ice, seawater and humid air covering wide ranges of temperature and pressure conditions. They permit the consistent computation of all equilibrium properties as, for example, required for coupled atmosphere-ocean models or the analysis of observational or experimental data. With the exception of humid air, these potential functions are already formulated as international standards released by the International Association for the Properties of Water and Steam (IAPWS, and have been adopted in 2009 for oceanography by IOC/UNESCO.

    In this paper, we derive a collection of formulas for important quantities expressed in terms of the thermodynamic potentials, valid for typical phase transitions and composite systems of humid air and water/ice/seawater. Particular attention is given to equilibria between seawater and humid air, referred to as "sea air" here. In a related initiative, these formulas will soon be implemented in a source-code library for easy practical use. The library is primarily aimed at oceanographic applications but will be relevant to air-sea interaction and meteorology as well.

    The formulas provided are valid for any consistent set of suitable thermodynamic potential functions. Here we adopt potential functions from previous publications in which they are constructed from theoretical laws and empirical data; they are briefly summarized in the appendix. The formulas make use of the full accuracy of these thermodynamic potentials, without additional approximations or empirical coefficients. They are expressed in the temperature scale ITS-90 and the 2008 Reference-Composition Salinity Scale.

  3. Theory of vibration protection

    CERN Document Server

    Karnovsky, Igor A


    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...

  4. Thermodynamic and Quantum Thermodynamic Analyses of Brownian Movement


    Gyftopoulos, Elias P.


    Thermodynamic and quantum thermodynamic analyses of Brownian movement of a solvent and a colloid passing through neutral thermodynamic equilibrium states only. It is shown that Brownian motors and E. coli do not represent Brownian movement.

  5. Vibrational Cooling in A Cold Ion Trap: Vibrationally Resolved Photoelectron Spectroscopy of Cold C60- Anions

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xue B.; Woo, Hin-koon; Wang, Lai S.


    We demonstrate vibrational cooling of anions via collisions with a background gas in an ion trap attached to a cryogenically controlled cold head (10 ? 400 K). Photoelectron spectra of vibrationally cold C60- anions, produced by electrospray ionization and cooled in the cold ion trap, have been obtained. Relative to spectra taken at room temperature, vibrational hot bands are completely eliminated, yielding well resolved vibrational structures and a more accurate electron affinity for neutral C60. The electron affinity of C60 is measured to be 2.683 ? 0.008 eV. The cold spectra reveal complicated vibrational structures for the transition to the C60 ground state due to the Jahn-Teller effect in the ground state of C60-. Vibrational excitations in the two Ag modes and eight Hg modes are observed, providing ideal data to assess the vibronic couplings in C60-.

  6. A tightly coupled non-equilibrium model for inductively coupled radio-frequency plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Munafò, A., E-mail:; Alfuhaid, S. A., E-mail:; Panesi, M., E-mail: [Department of Aerospace Engineering, University of Illinois at Urbana-Champaign, Talbot Laboratory, 104 S. Wright St., Urbana, Illinois 61801 (United States); Cambier, J.-L., E-mail: [Edwards Air Force Base Research Laboratory, 10 E. Saturn Blvd., Edwards AFB, California 93524 (United States)


    The objective of the present work is the development of a tightly coupled magneto-hydrodynamic model for inductively coupled radio-frequency plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State approach. A multi-temperature formulation is used to account for thermal non-equilibrium between translation of heavy-particles and vibration of molecules. Excited electronic states of atoms are instead treated as separate pseudo-species, allowing for non-Boltzmann distributions of their populations. Free-electrons are assumed Maxwellian at their own temperature. The governing equations for the electro-magnetic field and the gas properties (e.g., chemical composition and temperatures) are written as a coupled system of time-dependent conservation laws. Steady-state solutions are obtained by means of an implicit Finite Volume method. The results obtained in both LTE and NLTE conditions over a broad spectrum of operating conditions demonstrate the robustness of the proposed coupled numerical method. The analysis of chemical composition and temperature distributions along the torch radius shows that: (i) the use of the LTE assumption may lead to an inaccurate prediction of the thermo-chemical state of the gas, and (ii) non-equilibrium phenomena play a significant role close the walls, due to the combined effects of Ohmic heating and macroscopic gradients.

  7. Stochastic Liouville equation simulation of multidimensional vibrational line shapes of trialanine

    NARCIS (Netherlands)

    Jansen, TL; Zhuang, W; Mukamel, S


    The line shapes detected in coherent femtosecond vibrational spectroscopies contain direct signatures of peptide conformational fluctuations through their effect on vibrational frequencies and intermode couplings. These effects are simulated in trialanine using a Green's function solution of a

  8. Anatomy of an Exciton : Vibrational Distortion and Exciton Coherence in H- and J-Aggregates

    NARCIS (Netherlands)

    Tempelaar, Roel; Stradomska, Anna; Knoester, Jasper; Spano, Frank C.


    In organic materials, coupling of electronic excitations to vibrational degrees of freedom results in polaronic excited states. Through numerical calculations, we demonstrate that the vibrational distortion field accompanying such a polaron scales as the product of the excitonic interaction field

  9. Thermodynamics and heat power

    CERN Document Server

    Granet, Irving


    Fundamental ConceptsIntroductionThermodynamic SystemsTemperatureForce and MassElementary Kinetic Theory of GasesPressureReviewKey TermsEquations Developed in This ChapterQuestionsProblemsWork, Energy, and HeatIntroductionWorkEnergyInternal EnergyPotential EnergyKinetic EnergyHeatFlow WorkNonflow WorkReviewKey TermsEquations Developed in This ChapterQuestionsProblemsFirst Law of ThermodynamicsIntroductionFirst Law of ThermodynamicsNonflow SystemSteady-Flow SystemApplications of First Law of ThermodynamicsReviewKey TermsEquations Developed in This ChapterQuestionsProblemsThe Second Law of ThermodynamicsIntroductionReversibility-Second Law of ThermodynamicsThe Carnot CycleEntropyReviewKey TermsEquations Developed in This ChapterQuestionsProblemsProperties of Liquids and GasesIntroductionLiquids and VaporsThermodynamic Properties of SteamComputerized PropertiesThermodynamic DiagramsProcessesReviewKey TermsEquations Developed in This ChapterQuestionsProblemsThe Ideal GasIntroductionBasic ConsiderationsSpecific Hea...

  10. Thermodynamics of a qubit undergoing dephasing (United States)

    Marcantoni, S.


    The thermodynamics of a qubit undergoing dephasing due to the coupling with the external environment is discussed. First of all, we assume the dynamics of the system to be described by a master equation in Lindblad form. In this framework, we review a standard formulation of the first and second law of thermodynamics that has been known in literature for a long time. After that, we explicitly model the environment with a set of quantum harmonic oscillators choosing the interaction such that the global dynamics of system and bath is analytically solvable and the Lindblad master equation is recovered in the weak-coupling limit. In this generalized setting, we can show that the correlations between system and bath play a fundamental role in the heat exchange. Moreover, the internal entropy production of the qubit is proven to be positive for arbitrary coupling strength.

  11. Modal simulation of gearbox vibration with experimental correlation (United States)

    Choy, Fred K.; Ruan, Yeefeng F.; Zakrajsek, James J.; Oswald, Fred B.


    A newly developed global dynamic model was used to simulate the dynamics of a gear noise rig at NASA Lewis Research Center. Experimental results from the test rig were used to verify the analytical model. In this global dynamic model, the number of degrees of freedom of the system are reduced by transforming the system equations of motion into modal coordinates. The vibration of the individual gear-shaft system are coupled through the gear mesh forces. A three-dimensional, axial-lateral coupled, bearing model was used to couple the casing structural vibration to the gear-rotor dynamics. The coupled system of modal equations is solved to predict the resulting vibration at several locations on the test rig. Experimental vibration data was compared to the predicitions of the global dynamic model. There is excellent agreement between the vibration results from analysis and experiment.

  12. FEM Updating of Tall Buildings using Ambient Vibration Data

    DEFF Research Database (Denmark)

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


    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...... and the corresponding mode shapes. The degree of torsional coupling between the modes was also investigated. The modal identification results obtained from ambient vibration measurements of each building were used to update a finite element model of the structure. The starting model of each structure was developed from...... an ambient vibration modal identification....

  13. Methods of performing downhole operations using orbital vibrator energy sources (United States)

    Cole, Jack H.; Weinberg, David M.; Wilson, Dennis R.


    Methods of performing down hole operations in a wellbore. A vibrational source is positioned within a tubular member such that an annulus is formed between the vibrational source and an interior surface of the tubular member. A fluid medium, such as high bulk modulus drilling mud, is disposed within the annulus. The vibrational source forms a fluid coupling with the tubular member through the fluid medium to transfer vibrational energy to the tubular member. The vibrational energy may be used, for example, to free a stuck tubular, consolidate a cement slurry and/or detect voids within a cement slurry prior to the curing thereof.

  14. Equilibrium thermodynamics - Callen's postulational approach

    NARCIS (Netherlands)

    Jongschaap, R.J.J.; Öttinger, Hans Christian


    In order to provide the background for nonequilibrium thermodynamics, we outline the fundamentals of equilibrium thermodynamics. Equilibrium thermodynamics must not only be obtained as a special case of any acceptable nonequilibrium generalization but, through its shining example, it also elucidates

  15. Thermodynamics an engineering approach

    CERN Document Server

    Cengel, Yunus A


    Thermodynamics, An Engineering Approach, eighth edition, covers the basic principles of thermodynamics while presenting a wealth of real-world engineering examples so students get a feel for how thermodynamics is applied in engineering practice. This text helps students develop an intuitive understanding by emphasizing the physics and physical arguments. Cengel and Boles explore the various facets of thermodynamics through careful explanations of concepts and use of numerous practical examples and figures, having students develop necessary skills to bridge the gap between knowledge and the confidence to properly apply their knowledge. McGraw-Hill is proud to offer Connect with the eighth edition of Cengel/Boles, Thermodynamics, An Engineering Approach. This innovative and powerful new system helps your students learn more efficiently and gives you the ability to assign homework problems simply and easily. Problems are graded automatically, and the results are recorded immediately. Track individual stude...

  16. Thermodynamics of complexity

    DEFF Research Database (Denmark)

    Westerhoff, Hans V.; Jensen, Peter Ruhdal; Snoep, Jacky L.


    Thermodynamics has always been a remarkable science in that it studies macroscopic properties that are only partially determined by the properties of individual molecules. Entropy and free energy only exist in constellations of more than a single molecule (degree of freedom). They are the so...... understanding of this BioComplexity, modem thermodynamic concepts and methods (nonequilibrium thermodynamics, metabolic and hierarchical control analysis) will be needed. We shall propose to redefine nonequilibrium thermodynamics as: The science that aims at understanding the behaviour of nonequilibrium systems...... by taking into account both the molecular properties and the emergent properties that are due to (dys)organisation. This redefinition will free nonequilibrium thermodynamics from the limitations imposed by earlier near-equilibrium assumptions, resolve the duality with kinetics, and bridge the apparent gap...

  17. Benefits of Spacecraft Level Vibration Testing (United States)

    Gordon, Scott; Kern, Dennis L.


    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.

  18. Modern engineering thermodynamics

    CERN Document Server

    Balmer, Robert T


    Designed for use in a standard two-semester engineering thermodynamics course sequence. The first half of the text contains material suitable for a basic Thermodynamics course taken by engineers from all majors. The second half of the text is suitable for an Applied Thermodynamics course in mechanical engineering programs. The text has numerous features that are unique among engineering textbooks, including historical vignettes, critical thinking boxes, and case studies. All are designed to bring real engineering applications into a subject that can be somewhat abstract and mathematica

  19. Thermodynamics I essentials

    CERN Document Server

    REA, The Editors of


    REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Thermodynamics I includes review of properties and states of a pure substance, work and heat, energy and the first law of thermodynamics, entropy and the second law of thermodynamics

  20. Advanced thermodynamics engineering

    CERN Document Server

    Annamalai, Kalyan; Jog, Milind A


    Thermolab Excel-Based Software for Thermodynamic Properties and Flame Temperatures of Fuels IntroductionImportance, Significance and LimitationsReview of ThermodynamicsMathematical BackgroundOverview of Microscopic/NanothermodynamicsSummaryAppendix: Stokes and Gauss Theorems First Law of ThermodynamicsZeroth LawFirst Law for a Closed SystemQuasi Equilibrium (QE) and Nonquasi-equilibrium (NQE) ProcessesEnthalpy and First LawAdiabatic Reversible Process for Ideal Gas with Constant Specific HeatsFirst Law for an Open SystemApplications of First Law for an Open SystemIntegral and Differential Form

  1. Selected problems in thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Andrianova, T.N.; Dzampov, B.V.; Remizov, S.A.; Zubarev, V.N.


    This collection of problems is designed for a course in engineering thermodynamics for engineering and thermophysical disciplines in energy institutes. The problems contain the following fundamentals: first and second laws of thermodynamics, physical state and change of state processes in ideal and real gases, water, steam and moist air; efflux and choking of gases and steam, internal combustion cycles, gas and steam turbines, refrigerators, compressors, as well as problems in chemical thermodynamics. Answers to all problems are given, examples include solutions. The SI system of units is used.

  2. Non-equilibrium thermodynamics

    CERN Document Server

    De Groot, Sybren Ruurds


    The study of thermodynamics is especially timely today, as its concepts are being applied to problems in biology, biochemistry, electrochemistry, and engineering. This book treats irreversible processes and phenomena - non-equilibrium thermodynamics.S. R. de Groot and P. Mazur, Professors of Theoretical Physics, present a comprehensive and insightful survey of the foundations of the field, providing the only complete discussion of the fluctuating linear theory of irreversible thermodynamics. The application covers a wide range of topics: the theory of diffusion and heat conduction, fluid dyn

  3. Density functional theory study of vibrational spectra, and ...

    Indian Academy of Sciences (India)

    The FTIR and FT Raman spectra of dacarbazine were recorded in the regions 4000-400 and 3500-100 cm-1, respectively. The optimized geometry, wavenumber, polarizability and several thermodynamic properties of dacarbazine were studied using ab initio Hartree-Fock, MP2 and DFT methods. A complete vibrational ...

  4. Workshop on Teaching Thermodynamics

    CERN Document Server


    It seemed appropriate to arrange a meeting of teachers of thermodynamics in the United Kingdom, a meeting held in the pleasant surroundings of Emmanuel College, Cambridge, in Sept~mber, 1984. This volume records the ideas put forward by authors, the discussion generated and an account of the action that discussion has initiated. Emphasis was placed on the Teaching of Thermodynamics to degree-level students in their first and second years. The meeting, a workshop for practitioners in which all were expected to take part, was remarkably well supported. This was notable in the representation of essentially every UK university and polytechnic engaged in teaching engineering thermodynamics and has led to a stimulating spread of ideas. By intention, the emphasis for attendance was put on teachers of engineering concerned with thermodynamics, both mechanical and chemical engineering disciplines. Attendance from others was encouraged but limited as follows: non-engineering acad­ emics, 10%, industrialists, 10%. The ...

  5. Elements of chemical thermodynamics

    CERN Document Server

    Nash, Leonard K


    This survey of purely thermal data in calculating the position of equilibrium in a chemical reaction highlights the physical content of thermodynamics, as distinct from purely mathematical aspects. 1970 edition.

  6. Theoretical physics 5 thermodynamics

    CERN Document Server

    Nolting, Wolfgang


    This concise textbook offers a clear and comprehensive introduction to thermodynamics, one of the core components of undergraduate physics courses. It follows on naturally from the previous volumes in this series, defining macroscopic variables, such as internal energy, entropy and pressure,together with thermodynamic principles. The first part of the book introduces the laws of thermodynamics and thermodynamic potentials. More complex themes are covered in the second part of the book, which describes phases and phase transitions in depth. Ideally suited to undergraduate students with some grounding in classical mechanics, the book is enhanced throughout with learning features such as boxed inserts and chapter summaries, with key mathematical derivations highlighted to aid understanding. The text is supported by numerous worked examples and end of chapter problem sets. About the Theoretical Physics series Translated from the renowned and highly successful German editions, the eight volumes of this series cove...

  7. Elementary chemical thermodynamics

    CERN Document Server

    Mahan, Bruce H


    This text introduces thermodynamic principles in a straightforward manner. Suitable for advanced undergraduates and graduate students, it emphasizes chemical applications and physical interpretations and simplifies mathematical development. 1964 edition.

  8. Electrochemical thermodynamic measurement system (United States)

    Reynier, Yvan [Meylan, FR; Yazami, Rachid [Los Angeles, CA; Fultz, Brent T [Pasadena, CA


    The present invention provides systems and methods for accurately characterizing thermodynamic and materials properties of electrodes and electrochemical energy storage and conversion systems. Systems and methods of the present invention are configured for simultaneously collecting a suite of measurements characterizing a plurality of interconnected electrochemical and thermodynamic parameters relating to the electrode reaction state of advancement, voltage and temperature. Enhanced sensitivity provided by the present methods and systems combined with measurement conditions that reflect thermodynamically stabilized electrode conditions allow very accurate measurement of thermodynamic parameters, including state functions such as the Gibbs free energy, enthalpy and entropy of electrode/electrochemical cell reactions, that enable prediction of important performance attributes of electrode materials and electrochemical systems, such as the energy, power density, current rate and the cycle life of an electrochemical cell.

  9. Chemical engineering thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Newman, S.A. (ed.)


    This book contains most of the papers presented at the thermodynamics sessions of the Second World Congress of Chemical Engineering held October 4-9, 1981 in Montreal, Canada. The chapters of the book have been categorized into the following areas: (1) Phase Equilibria, (2) Equations of State, (3) Electrolytes, and (4) Other Thermodynamic Topics. Topics presented in the chapters include: thermophysical data banks; group contribution methods applied to phase equilibrai; equations of state for vapor-liquid and liquid-liquid equilibria with applications to design; vapor-liquid equilibria in systems including bitumen, heavy oil and coal-derived liquids; thermodynamics of polar substances; coal char thermochemical data; chemical equilibria; petroleum fraction thermodynamics and sour water vapor-liquid equilibria. (DP)

  10. Polyelectrolytes thermodynamics and rheology

    CERN Document Server

    P M, Visakh; Picó, Guillermo Alfredo


    This book discusses current development of theoretical models and experimental findings on the thermodynamics of polyelectrolytes. Particular emphasis is placed on the rheological description of polyelectrolyte solutions and hydrogels.

  11. General and Statistical Thermodynamics

    CERN Document Server

    Tahir-Kheli, Raza


    This textbook explains completely the general and statistical thermodynamics. It begins with an introductory statistical mechanics course, deriving all the important formulae meticulously and explicitly, without mathematical short cuts. The main part of the book deals with the careful discussion of the concepts and laws of thermodynamics, van der Waals, Kelvin and Claudius theories, ideal and real gases, thermodynamic potentials, phonons and all the related aspects. To elucidate the concepts introduced and to provide practical problem solving support, numerous carefully worked examples are of great value for students. The text is clearly written and punctuated with many interesting anecdotes. This book is written as main textbook for upper undergraduate students attending a course on thermodynamics.

  12. Elements of statistical thermodynamics

    CERN Document Server

    Nash, Leonard K


    Encompassing essentially all aspects of statistical mechanics that appear in undergraduate texts, this concise, elementary treatment shows how an atomic-molecular perspective yields new insights into macroscopic thermodynamics. 1974 edition.

  13. A New Perspective on Thermodynamics

    CERN Document Server

    Lavenda, Bernard H


    Dr. Bernard H. Lavenda has written A New Perspective on Thermodynamics to combine an old look at thermodynamics with a new foundation. The book presents a historical perspective, which unravels the current presentation of thermodynamics found in standard texts, and which emphasizes the fundamental role that Carnot played in the development of thermodynamics. A New Perspective on Thermodynamics will: Chronologically unravel the development of the principles of thermodynamics and how they were conceived by their discoverers Bring the theory of thermodynamics up to the present time and indicate areas of further development with the union of information theory and the theory of means and their inequalities. New areas include nonextensive thermodynamics, the thermodynamics of coding theory, multifractals, and strange attractors. Reintroduce important, yet nearly forgotten, teachings of N.L. Sardi Carnot Highlight conceptual flaws in timely topics such as endoreversible engines, finite-time thermodynamics, geometri...

  14. On Kinetics Modeling of Vibrational Energy Transfer (United States)

    Gilmore, John O.; Sharma, Surendra P.; Cavolowsky, John A. (Technical Monitor)


    Two models of vibrational energy exchange are compared at equilibrium to the elementary vibrational exchange reaction for a binary mixture. The first model, non-linear in the species vibrational energies, was derived by Schwartz, Slawsky, and Herzfeld (SSH) by considering the detailed kinetics of vibrational energy levels. This model recovers the result demanded at equilibrium by the elementary reaction. The second model is more recent, and is gaining use in certain areas of computational fluid dynamics. This model, linear in the species vibrational energies, is shown not to recover the required equilibrium result. Further, this more recent model is inconsistent with its suggested rate constants in that those rate constants were inferred from measurements by using the SSH model to reduce the data. The non-linear versus linear nature of these two models can lead to significant differences in vibrational energy coupling. Use of the contemporary model may lead to significant misconceptions, especially when integrated in computer codes considering multiple energy coupling mechanisms.

  15. Computing Vibration-Mode Matrices From Finite-Element Output (United States)

    Levy, Roy


    Postprocessing algorithms devised to facilitate vibrational-mode analyses of dynamics of complicated structures. Yields inertia matrices and elastic/rigid-coupling matrices. Such analyses important in simulation and control in active suppression of vibrations in large building or in precise aiming of large antenna.

  16. selective excitation of vibrational modes of polyatomic molecule

    Indian Academy of Sciences (India)

    Abstract. Mode-selective dynamics of triatomic molecule in the electronic ground state under continuous wave laser pulse is investigated for the discrete vibrational bound states. A non-perturbative approach has been used to analyse the vibrational couplings and dynamics of the molecule. Keywords. Polyatomic molecule ...

  17. Thermodynamic properties of Dynes superconductors (United States)

    Herman, František; Hlubina, Richard


    The tunneling density of states in dirty s -wave superconductors is often well described by the phenomenological Dynes formula. Recently we have shown that this formula can be derived, within the coherent potential approximation, for superconductors with simultaneously present pair-conserving and pair-breaking impurity scattering. Here we demonstrate that the theory of such so-called Dynes superconductors is thermodynamically consistent. We calculate the specific heat and critical field of the Dynes superconductors, and we show that their gap parameter, specific heat, critical field, and penetration depth exhibit power-law scaling with temperature in the low-temperature limit. We also show that in the vicinity of a coupling-constant-controlled superconductor to normal metal transition, the Homes law is replaced by a different, pair-breaking-dominated scaling law.

  18. Non-Equilibrium Thermodynamics of Self-Replicating Protocells

    DEFF Research Database (Denmark)

    Fellermann, Harold; Corominas-Murtra, Bernat; Hansen, Per Lyngs


    We provide a non-equilibrium thermodynamic description of the life-cycle of a droplet based, chemically feasible, system of protocells. By coupling the protocells metabolic kinetics with its thermodynamics, we demonstrate how the system can be driven out of equilibrium to ensure protocell growth...... and replication. This coupling allows us to derive the equations of evolution and to rigorously demonstrate how growth and replication life-cycle can be understood as a non-equilibrium thermodynamic cycle. The process does not appeal to genetic information or inheritance, and is based only on non......-equilibrium physics considerations. Our non-equilibrium thermodynamic description of simple, yet realistic, processes of protocell growth and replication, represents an advance in our physical understanding of a central biological phenomenon both in connection to the origin of life and for modern biology....

  19. On The Vibrational Flux in Bounded Atoms

    CERN Document Server

    Caturello, Naidel A M dos S


    In this paper we derived a model based on general assumptions and allowed us to derive some important thermodynamic functions that are time-dependent, also we could see the behavior of these functions by surfaces. The model is based on independent movements that couple and construct a flux, which makes the system as a whole not to be independent at all.

  20. Carbon Nanotube Tape Vibrating Gyroscope (United States)

    Tucker, Dennis Stephen (Inventor)


    A vibrating gyroscope includes a piezoelectric strip having length and width dimensions. The piezoelectric strip includes a piezoelectric material and carbon nanotubes (CNTs) substantially aligned and polled along the strip's length dimension. A spindle having an axis of rotation is coupled to the piezoelectric strip. The axis of rotation is parallel to the strip's width dimension. A first capacitance sensor is mechanically coupled to the spindle for rotation therewith. The first capacitance sensor is positioned at one of the strip's opposing ends and is spaced apart from one of the strip's opposing faces. A second capacitance sensor is mechanically coupled to the spindle for rotation therewith. The second capacitance sensor is positioned at another of the strip's opposing ends and is spaced apart from another of the strip's opposing faces. A voltage source applies an AC voltage to the piezoelectric strip.

  1. Thermodynamics of small clusters of atoms: A molecular dynamics simulation

    DEFF Research Database (Denmark)

    Damgaard Kristensen, W.; Jensen, E. J.; Cotterill, Rodney M J


    The thermodynamic properties of clusters containing 55, 135, and 429 atoms have been calculated using the molecular dynamics method. Structural and vibrational properties of the clusters were examined at different temperatures in both the solid and the liquid phase. The nature of the melting...... was found to be icosahedral in the 55-atom system and face centered cubic for the two larger systems. ©1974 American Institute of Physics...

  2. The multilayer and wide-deck vibrating screen based on the innovative long-span vibration exciter (United States)

    Zeng, Ming; Xu, Zonglin; Zhang, Jinnan; Zhang, Minghong


    The multilayer and wide-deck innovative single plasmid vibration screen is applicable to the petroleum drilling and the other relevant industries. The structural features and advantages of the components are illustrated, and the innovative long-span vibration exciter together with the steel rope saddle block flexible coupling is emphatically analyzed. Two engineering examples are provided to make the explanation.

  3. Tunable Passive Vibration Suppressor (United States)

    Boechler, Nicholas (Inventor); Dillon, Robert Peter (Inventor); Daraio, Chiara (Inventor); Davis, Gregory L. (Inventor); Shapiro, Andrew A. (Inventor); Borgonia, John Paul C. (Inventor); Kahn, Daniel Louis (Inventor)


    An apparatus and method for vibration suppression using a granular particle chain. The granular particle chain is statically compressed and the end particles of the chain are attached to a payload and vibration source. The properties of the granular particles along with the amount of static compression are chosen to provide desired filtering of vibrations.

  4. 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-.

  5. Low-temperature thermodynamics in the context of dissipative diamagnetism. (United States)

    Kumar, Jishad; Sreeram, P A; Dattagupta, Sushanta


    We revisit here the effect of quantum dissipation on the much studied problem of Landau diamagnetism and analyze the results in the light of the third law of thermodynamics. The case of an additional parabolic potential is separately assessed. We find that dissipation arising from strong coupling of the system to its environment qualitatively alters the low-temperature thermodynamic attributes such as the entropy and the specific heat.

  6. Collective model for isovector quadrupole vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Nojarov, R.; Faessler, A.


    The vibrational model is extended by introducing isospin-dependent collective coordinates, permitting a description out-of-phase neutron-proton vibrations coupled by a density-dependent symmetry energy. The restoring force is calculated microscopically using the wavefunctions of a Woods-Saxon potential and the coupling with three-phonon states is taken into account. The model is able to describe the available experimental data (energies and multipole mixing ratios) on low-lying 2/sup +/ states, which were observed recently in nuclei near the shell closures (/sup 124/Te, /sup 140/Ba, /sup 142/Ce and /sup 144/Nd), supporting the identification of these states as isovector quadrupole vibrations and predicting such states in /sup 126 -130/ Te.

  7. The thermodynamic database COST MP0602 for materials for high-temperature lead-free soldering

    Directory of Open Access Journals (Sweden)

    Kroupa A.


    Full Text Available The current state of thermodynamic modelling in the field of high-temperature lead-free soldering is presented. A consistent thermodynamic database, containing 18 elements (Ag, Al, Au, Bi, Co, Cu, Ga, Ge, Mg, Ni, P, Pb, Pd, Sb, Sn, Ti and Zn has been created. The thermodynamic data for the most of the important binary and selected ternary systems were checked and included into the database. The database was tested using major commercial software packages. Such reliable and sophisticated software coupled to reliable thermodynamic databases are necessary prerequisites for application of thermodynamics in advanced alloys design.

  8. Thermodynamics of Crystalline States

    CERN Document Server

    Fujimoto, Minoru


    Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattices, which therefore need to be determined for a clear and well-defined description of crystalline states. Thermodynamics of Crystalline States explores the roles played by order variables and dynamic lattices in crystals in a wholly new way. This book is divided into three parts. The book begins by clarifying basic concepts for stable crystals. Next, binary phase transitions are discussed to study collective motion of order variables, as described mostly as classical phenomena. In the third part, the multi-electron system is discussed theoretically, as a quantum-mechanical example, for the superconducting state in metallic crystals. Throughout the book, the role played by the lattice is emphasized and examined in-depth. Thermodynamics of Crystalline States is an introductory treatise and textbook on meso...

  9. Extended Irreversible Thermodynamics

    CERN Document Server

    Jou, David


    This is the 4th edition of the highly acclaimed monograph on Extended Irreversible Thermodynamics, a theory that goes beyond the classical theory of irreversible processes. In contrast to the classical approach, the basic variables describing the system are complemented by non-equilibrium quantities. The claims made for extended thermodynamics are confirmed by the kinetic theory of gases and statistical mechanics. The book covers a wide spectrum of applications, and also contains a thorough discussion of the foundations and the scope of the current theories on non-equilibrium thermodynamics. For this new edition, the authors critically revised existing material while taking into account the most recent developments in fast moving fields such as heat transport in micro- and nanosystems or fast solidification fronts in materials sciences. Several fundamental chapters have been revisited emphasizing physics and applications over mathematical derivations. Also, fundamental questions on the definition of non-equil...

  10. Vortex-induced vibration of a slender single-span cylinder

    NARCIS (Netherlands)

    Oikou, N.


    The goal of this paper is to study the vortex-induced vibration of slender cylindrical structures. For this purpose, a 2D model that calculates the coupled cross-flow and in-line vibrations of a flexible single span beam is developed. A wake oscillator known to match well with free vibration

  11. Thermodynamics II essentials

    CERN Document Server

    REA, The Editors of


    REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Thermodynamics II includes review of thermodynamic relations, power and refrigeration cycles, mixtures and solutions, chemical reactions, chemical equilibrium, and flow through nozzl

  12. Thermodynamics for engineers

    CERN Document Server

    Wong, Kaufui Vincent


    Praise for the First Edition from Students: "It is a great thermodynamics text…I loved it!-Mathew Walters "The book is comprehensive and easy to understand. I love the real world examples and problems, they make you feel like you are learning something very practical."-Craig Paxton"I would recommend the book to friends."-Faure J. Malo-Molina"The clear diction, as well as informative illustrations and diagrams, help convey the material clearly to the reader."-Paul C. Start"An inspiring and effective tool for any aspiring scientist or engineer. Definitely the best book on Classical Thermodynamics out."-Seth Marini.

  13. Concise chemical thermodynamics

    CERN Document Server

    Peters, APH


    EnergyThe Realm of ThermodynamicsEnergy BookkeepingNature's Driving ForcesSetting the Scene: Basic IdeasSystem and SurroundingsFunctions of StateMechanical Work and Expanding GasesThe Absolute Temperature Scale Forms of Energy and Their Interconversion Forms of Renewable Energy Solar Energy Wind Energy Hydroelectric Power Geothermal Energy Biomass Energy References ProblemsThe First Law of Thermodynamics Statement of the First Law Reversible Expansion of an Ideal GasConstant-Volume ProcessesConstant-Pressure ProcessesA New Function: EnthalpyRelationship between ?H and ?UUses and Conventions of

  14. Mechanics, Waves and Thermodynamics (United States)

    Ranjan Jain, Sudhir


    Figures; Preface; Acknowledgement; 1. Energy, mass, momentum; 2. Kinematics, Newton's laws of motion; 3. Circular motion; 4. The principle of least action; 5. Work and energy; 6. Mechanics of a system of particles; 7. Friction; 8. Impulse and collisions; 9. Central forces; 10. Dimensional analysis; 11. Oscillations; 12. Waves; 13. Sound of music; 14. Fluid mechanics; 15. Water waves; 16. The kinetic theory of gases; 17. Concepts and laws of thermodynamics; 18. Some applications of thermodynamics; 19. Basic ideas of statistical mechanics; Bibliography; Index.

  15. Beyond Equilibrium Thermodynamics (United States)

    Öttinger, Hans Christian


    Beyond Equilibrium Thermodynamics fills a niche in the market by providing a comprehensive introduction to a new, emerging topic in the field. The importance of non-equilibrium thermodynamics is addressed in order to fully understand how a system works, whether it is in a biological system like the brain or a system that develops plastic. In order to fully grasp the subject, the book clearly explains the physical concepts and mathematics involved, as well as presenting problems and solutions; over 200 exercises and answers are included. Engineers, scientists, and applied mathematicians can all use the book to address their problems in modelling, calculating, and understanding dynamic responses of materials.

  16. The thermodynamic properties of benzothiazole and benzoxazole

    Energy Technology Data Exchange (ETDEWEB)

    Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.


    This research program, funded by the Department of Energy, Office of Fossil Energy, Advanced Extraction and Process Technology, provides accurate experimental thermochemical and thermophysical properties for key'' organic diheteroatom-containing compounds present in heavy petroleum feedstocks, and applies the experimental information to thermodynamic analyses of key hydrodesulfurization, hydrodenitrogenation, and hydrodeoxygenation reaction networks. Thermodynamic analyses, based on accurate information, provide insights for the design of cost-effective methods of heteroatom removal. The results reported here, and in a companion report to be completed, will point the way to the development of new methods of heteroatom removal from heavy petroleum. Measurements leading to the calculation of the ideal-gas thermodynamic properties are reported for benzothiazole and benzoxazole. Experimental methods included combustion calorimetry, adiabatic heat-capacity calorimetry, comparative ebulliometry, inclinded-piston gauge manometry, and differential-scanning calorimetry (d.s.c). Critical property estimates are made for both compounds. Entropies, enthalpies, and Gibbs energies of formation were derived for the ideal gas for both compounds for selected temperatures between 280 K and near 650 K. The Gibbs energies of formation will be used in a subsequent report in thermodynamic calculations to study the reaction pathways for the removal of the heteratoms by hydrogenolysis. The results obtained in this research are compared with values present in the literature. The failure of a previous adiabatic heat capacity study to see the phase transition in benzothiazole is noted. Literature vibrational frequency assignments were used to calculate ideal gas entropies in the temperature range reported here for both compounds. Resulting large deviations show the need for a revision of those assignments. 68 refs., 6 figs., 15 tabs.

  17. Vibration analysis of cryocoolers (United States)

    Tomaru, Takayuki; Suzuki, Toshikazu; Haruyama, Tomiyoshi; Shintomi, Takakazu; Yamamoto, Akira; Koyama, Tomohiro; Li, Rui


    The vibrations of Gifford-McMahon (GM) and pulse-tube (PT) cryocoolers were measured and analyzed. The vibrations of the cold-stage and cold-head were measured separately to investigate their vibration mechanisms. The measurements were performed while maintaining the thermal conditions of the cryocoolers at a steady state. We found that the vibration of the cold-head for the 4 K PT cryocooler was two orders of magnitude smaller than that of the 4 K GM cryocooler. On the other hand, the vibration of the cold-stages for both cryocoolers was of the same order of magnitude. From a spectral analysis of the vibrations and a simulation, we concluded that the vibration of the cold-stage is caused by an elastic deformation of the pulse tubes (or cylinders) due to the pressure oscillation of the working gas.

  18. Vibration analysis of cryocoolers

    Energy Technology Data Exchange (ETDEWEB)

    Tomaru, Takayuki; Suzuki, Toshikazu; Haruyama, Tomiyoshi; Shintomi, Takakazu; Yamamoto, Akira [High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki (Japan); Koyama, Tomohiro; Rui Li [Sumitomo Heavy Industries Ltd., Tokyo (Japan)


    The vibrations of Gifford-McMahon (GM) and pulse-tube (PT) cryocoolers were measured and analyzed. The vibrations of the cold-stage and cold-head were measured separately to investigate their vibration mechanisms. The measurements were performed while maintaining the thermal conditions of the cryocoolers at a steady state. We found that the vibration of the cold-head for the 4 K PT cryocooler was two orders of magnitude smaller than that of the 4 K GM cryocooler. On the other hand, the vibration of the cold-stages for both cryocoolers was of the same order of magnitude. From a spectral analysis of the vibrations and a simulation, we concluded that the vibration of the cold-stage is caused by an elastic deformation of the pulse tubes (or cylinders) due to the pressure oscillation of the working gas. (Author)

  19. Vibration of hydraulic machinery

    CERN Document Server

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


    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...

  20. Experimental thermodynamics experimental thermodynamics of non-reacting fluids

    CERN Document Server

    Neindre, B Le


    Experimental Thermodynamics, Volume II: Experimental Thermodynamics of Non-reacting Fluids focuses on experimental methods and procedures in the study of thermophysical properties of fluids. The selection first offers information on methods used in measuring thermodynamic properties and tests, including physical quantities and symbols for physical quantities, thermodynamic definitions, and definition of activities and related quantities. The text also describes reference materials for thermometric fixed points, temperature measurement under pressures, and pressure measurements. The publicatio

  1. Study on the annular leakage-flow-induced vibrations. 2nd Report. Stability analysis and experiments for translationally and rotationally coupled two-degree-of-freedom systems; Kanjo sukimaryu reiki shindo ni kansuru kenkyu. 2. heishin kaiten 2 jiyudo renseikei no anteisei kaiseki oyobi jikken

    Energy Technology Data Exchange (ETDEWEB)

    Li, D.W. [Hitachi, Ltd., Tokyo (Japan); Kaneko, S. [The University of Tokyo, Tokyo (Japan); Hayama, S. [Toyama Prefectural University, Toyama (Japan)


    In this study, the stability of annular leakage-flow-induced vibrations was investigated theoretically and experimentally for a translationally and rotationally coupled two-degree-of-freedom system. The critical flow rate was both theoretically and experimentally obtained as a function of the passage increment ratio and the eccentricity of the passage. A good agreement between the theoretical and experimental results was obtained. It was discovered both theoretically and from the experiments that instability will occur in the case of a divergent passage: the eccentricity of the passage lowers the stability of the systems. (author)

  2. The Thermodynamics of Black Holes

    National Research Council Canada - National Science Library

    Emparan, Roberto; Tinto, Massimo; Barbero G, J Fernando; Heusler, Markus; Rendall, Alan D; Adamo, Timothy M; Liebling, Steven L; Sasaki, Misao; Poisson, Eric; Wald, Robert M; Postnov, Konstantin A; Amendola, Luca; Shibata, Masaru; Tagoshi, Hideyuki; Reall, Harvey S; Kozameh, Carlos; Palenzuela, Carlos; Yungelson, Lev R; Villaseñor, Eduardo J. S; Appleby, Stephen; Taniguchi, Keisuke; Dhurandhar, Sanjeev V; Bacon, David; Newman, Ezra T; Baker, Tessa; Baldi, Marco; Bartolo, Nicola; Blanchard, Alain; Bonvin, Camille; Borgani, Stefano; Branchini, Enzo; Burrage, Clare; Camera, Stefano; Carbone, Carmelita; Casarini, Luciano; Cropper, Mark; de Rham, Claudia; Di Porto, Cinzia; Ealet, Anne; Ferreira, Pedro G; Finelli, Fabio; García-Bellido, Juan; Giannantonio, Tommaso; Guzzo, Luigi; Heavens, Alan; Heisenberg, Lavinia; Heymans, Catherine; Hoekstra, Henk; Hollenstein, Lukas; Holmes, Rory; Horst, Ole; Jahnke, Knud; Kitching, Thomas D; Koivisto, Tomi; Kunz, Martin; La Vacca, Giuseppe; March, Marisa; Majerotto, Elisabetta; Markovic, Katarina; Marsh, David; Marulli, Federico; Massey, Richard; Mellier, Yannick; Mota, David F; Nunes, Nelson J; Percival, Will; Pettorino, Valeria; Porciani, Cristiano; Quercellini, Claudia; Read, Justin; Rinaldi, Massimiliano; Sapone, Domenico; Scaramella, Roberto; Skordis, Constantinos; Simpson, Fergus; Taylor, Andy; Thomas, Shaun; Trotta, Roberto; Verde, Licia; Vernizzi, Filippo; Vollmer, Adrian; Wang, Yun; Weller, Jochen; Zlosnik, Tom

    ...We review the present status of black hole thermodynamics. Our review includes discussion of classical black hole thermodynamics, Hawking radiation from black holes, the generalized second law, and the issue of entropy bounds...

  3. Chemical thermodynamics. An introduction

    Energy Technology Data Exchange (ETDEWEB)

    Keszei, Ernoe [Budapest Univ. (Hungary). Dept. of Physical Chemistry


    Eminently suitable as a required textbook comprising complete material for or an undergraduate chemistry major course in chemical thermodynamics. Clearly explains details of formal derivations that students can easily follow and so master applied mathematical operations. Offers problems and solutions at the end of each chapter for self-test and self- or group study. This course-derived undergraduate textbook provides a concise explanation of the key concepts and calculations of chemical thermodynamics. Instead of the usual 'classical' introduction, this text adopts a straightforward postulatory approach that introduces thermodynamic potentials such as entropy and energy more directly and transparently. Structured around several features to assist students' understanding, Chemical Thermodynamics: - Develops applications and methods for the ready treatment of equilibria on a sound quantitative basis. - Requires minimal background in calculus to understand the text and presents formal derivations to the student in a detailed but understandable way. - Offers end-of-chapter problems (and answers) for self-testing and review and reinforcement, of use for self- or group study. This book is suitable as essential reading for courses in a bachelor and master chemistry program and is also valuable as a reference or textbook for students of physics, biochemistry and materials science.

  4. Thermodynamics with Design Problems. (United States)

    Cilento, E. V.; Sears, J. T.


    Discusses how basic thermodynamics concepts are integrated with design problems. Includes course goals, instructional strategies, and major advantages/disadvantages of the integrated design approach. Advantages include making subject more concrete, emphasizing interrelation of variables, and reinforcing concepts by use in design analysis; whereas…

  5. Thermodynamics of meat proteins

    NARCIS (Netherlands)

    Sman, van der R.G.M.


    We describe the water activity of meat, being a mixture of proteins, salts and water, by the Free-Volume-Flory–Huggins (FVFH) theory augmented with the equation. Earlier, the FVFH theory is successfully applied to describe the thermodynamics to glucose homopolymers like starch, dextrans and

  6. Thermodynamics and statistical mechanics

    CERN Document Server

    Landsberg, Peter T


    Exceptionally articulate treatment combines precise mathematical style with strong physical intuition. Wide range of applications includes negative temperatures, negative heat capacities, special and general relativistic effects, black hole thermodynamics, gravitational collapse, more. Over 100 problems with worked solutions. Advanced undergraduate, graduate level. Table of applications. Useful formulas and other data.

  7. Thermodynamic stabilization of colloids

    NARCIS (Netherlands)

    Stol, R.J.; Bruyn, P.L. de

    An analysis is given of the conditions necessary for obtaining a thermodynamically stable dispersion (TSD) of solid particles in a continuous aqueous solution phase. The role of the adsorption of potential-determining ions at the planar interface in lowering the interfacial free energy (γ) to

  8. The thermodynamics of portfolios


    Piotrowski, Edward W.; Jan Sladkowski


    We propose a new method of valuation of portfolios and their respective investing strategies. To this end we define a canonical ensemble of portfolios that allows to use the formalism of thermodynamics. (final version published in Acta Phys.Pol.B,32(2001)597-604)

  9. On Teaching Thermodynamics (United States)

    Debbasch, F.


    The logical structure of classical thermodynamics is presented in a modern, geometrical manner. The first and second law receive clear, operatively oriented statements and the Gibbs free energy extremum principle is fully discussed. Applications relevant to chemistry, such as phase transitions, dilute solutions theory and, in particular, the law…

  10. Thermodynamical Arguments against Evolution (United States)

    Rosenhouse, Jason


    The argument that the second law of thermodynamics contradicts the theory of evolution has recently been revived by anti-evolutionists. In its basic form, the argument asserts that whereas evolution implies that there has been an increase in biological complexity over time, the second law, a fundamental principle of physics, shows this to be…

  11. Thermodynamics of superconducting quantum metamaterials

    Energy Technology Data Exchange (ETDEWEB)

    Dallaire-Demers, Pierre-Luc; Wilhelm-Mauch, Frank [Universitaet des Saarlandes (Germany)


    Left-handed matematerials are capacitively coupled layers of inductive pieces of conductors. These systems are well studied in the context of microwave metamaterials but their full quantum description or their embedding in highly correlated materials like superconductors are still an open problem. Notably, they are known to have a Van Hove singularity in the density of states at low energy and high pseudo-momentum that could effectively couple and condense Cooper pairs. The goal of this research is to analyze the thermodynamical properties of the order parameter of stacked layers of superconductors with a small repulsive Coulomb interaction. A 3D toy model of such a material is mapped to a Fermi-Hubbard lattice. The temperature dependent anomalous correlation functions are computed variationally from a self-energy functional of a small cluster where inter-cluster tunneling is treated perturbatively. The effect of the repulsive interaction on the Cooper pairs binding can then be seen from the momentum distribution of the condensation amplitude. Such a material could potentially be realized with optical lattices or nanoscaled superconductors.

  12. Thermodynamics Far from the Thermodynamic Limit. (United States)

    de Miguel, Rodrigo; Rubí, J Miguel


    Understanding how small systems exchange energy with a heat bath is important to describe how their unique properties can be affected by the environment. In this contribution, we apply Landsberg's theory of temperature-dependent energy levels to describe the progressive thermalization of small systems as their spectrum is perturbed by a heat bath. We propose a mechanism whereby the small system undergoes a discrete series of excitations and isentropic spectrum adjustments leading to a final state of thermal equilibrium. This produces standard thermodynamic results without invoking system size. The thermal relaxation of a single harmonic oscillator is analyzed as a model example of a system with a quantized spectrum than can be embedded in a thermal environment. A description of how the thermal environment affects the spectrum of a small system can be the first step in using environmental factors, such as temperature, as parameters in the design and operation of nanosystem properties.

  13. Thermodynamics for the practicing engineer

    CERN Document Server

    Theodore, Louis; Vanvliet, Timothy


    This book concentrates specifically on the applications of thermodynamics, rather than the theory. It addresses both technical and pragmatic problems in the field, and covers such topics as enthalpy effects, equilibrium thermodynamics, non-ideal thermodynamics and energy conversion applications. Providing the reader with a working knowledge of the principles of thermodynamics, as well as experience in their application, it stands alone as an easy-to-follow self-teaching aid to practical applications and contains worked examples.

  14. Reactor vibration reduction based on giant magnetostrictive materials

    Directory of Open Access Journals (Sweden)

    Yan Rongge


    Full Text Available The vibration of reactors not only produces noise pollution, but also affects the safe operation of reactors. Giant magnetostrictive materials can generate huge expansion and shrinkage deformation in a magnetic field. With the principle of mutual offset between the giant magnetostrictive force produced by the giant magnetostrictive material and the original vibration force of the reactor, the vibration of the reactor can be reduced. In this paper, magnetization and magnetostriction characteristics in silicon steel and the giant magnetostrictive material are measured, respectively. According to the presented magneto-mechanical coupling model including the electromagnetic force and the magnetostrictive force, reactor vibration is calculated. By comparing the vibration of the reactor with different inserted materials in the air gaps between the reactor cores, the vibration reduction effectiveness of the giant magnetostrictive material is validated.

  15. Thermal vibrational convection in a two-phase stratified liquid (United States)

    Chang, Qingming; Alexander, J. Iwan D.


    The response of a two-phase stratified liquid system subject to a vibration parallel to an imposed temperature gradient is analyzed using a hybrid thermal lattice Boltzmann method (HTLB). The vibrations considered correspond to sinusoidal translations of a rigid cavity at a fixed frequency. The layers are thermally and mechanically coupled. Interaction between gravity-induced and vibration-induced thermal convection is studied. The ability of the applied vibration to enhance the flow, heat transfer and interface distortion is investigated. For the range of conditions investigated, the results reveal that the effect of the vibrational Rayleigh number and vibrational frequency on a two-phase stratified fluid system is much different from that for a single-phase fluid system. Comparisons of the response of a two-phase stratified fluid system with a single-phase fluid system are discussed. To cite this article: Q. Chang, J.I.D. Alexander, C. R. Mecanique 335 (2007).

  16. Reactor vibration reduction based on giant magnetostrictive materials (United States)

    Rongge, Yan; Weiying, Liu; Yuechao, Wu; Menghua, Duan; Xiaohong, Zhang; Lihua, Zhu; Ling, Weng; Ying, Sun


    The vibration of reactors not only produces noise pollution, but also affects the safe operation of reactors. Giant magnetostrictive materials can generate huge expansion and shrinkage deformation in a magnetic field. With the principle of mutual offset between the giant magnetostrictive force produced by the giant magnetostrictive material and the original vibration force of the reactor, the vibration of the reactor can be reduced. In this paper, magnetization and magnetostriction characteristics in silicon steel and the giant magnetostrictive material are measured, respectively. According to the presented magneto-mechanical coupling model including the electromagnetic force and the magnetostrictive force, reactor vibration is calculated. By comparing the vibration of the reactor with different inserted materials in the air gaps between the reactor cores, the vibration reduction effectiveness of the giant magnetostrictive material is validated.

  17. Modeling the thermodynamics of QCD

    Energy Technology Data Exchange (ETDEWEB)

    Hell, Thomas


    Strongly interacting (QCD) matter is expected to exhibit a multifaceted phase structure: a hadron gas at low temperatures, a quark-gluon plasma at very high temperatures, nuclear matter in the low-temperature and high-density region, color superconductors at asymptotically high densities. Most of the conjectured phases cannot yet be scrutinized by experiments. Much of the present picture - particularly concerning the intermediate temperature and density area of the phase diagram of QCD matter - is based on model calculations. Further insights come from Lattice-QCD computations. The present thesis elaborates a nonlocal covariant extension of the Nambu and Jona-Lasinio (NJL) model with built-in constraints from the running coupling of QCD at high-momentum and instanton physics at low-momentum scales. We present this model for two and three quark flavors (in the latter case paying particular attention to the axial anomaly). At finite temperatures and densities, gluon dynamics is incorporated through a gluonic background field, expressed in terms of the Polyakov loop (P). The thermodynamics of this nonlocal PNJL model accounts for both chiral and deconfinement transitions. We obtain results in mean-field approximation and beyond, including additional pionic and kaonic contributions to the chiral condensate, the pressure and other thermodynamic quantities. Finally, the nonlocal PNJL model is applied to the finite-density region of the QCD phase diagram; for three quark flavors we investigate, in particular, the dependence of the critical point appearing in the models on the axial anomaly. The thesis closes with a derivation of the nonlocal PNJL model from first principles of QCD. (orig.)

  18. Optomechanical proposal for monitoring microtubule mechanical vibrations (United States)

    Barzanjeh, Sh.; Salari, V.; Tuszynski, J. A.; Cifra, M.; Simon, C.


    Microtubules provide the mechanical force required for chromosome separation during mitosis. However, little is known about the dynamic (high-frequency) mechanical properties of microtubules. Here, we theoretically propose to control the vibrations of a doubly clamped microtubule by tip electrodes and to detect its motion via the optomechanical coupling between the vibrational modes of the microtubule and an optical cavity. In the presence of a red-detuned strong pump laser, this coupling leads to optomechanical-induced transparency of an optical probe field, which can be detected with state-of-the art technology. The center frequency and line width of the transparency peak give the resonance frequency and damping rate of the microtubule, respectively, while the height of the peak reveals information about the microtubule-cavity field coupling. Our method opens the new possibilities to gain information about the physical properties of microtubules, which will enhance our capability to design physical cancer treatment protocols as alternatives to chemotherapeutic drugs.

  19. Theoretical study of the phonon spectrum, phonon refraction and thermodynamic properties for explosive/additive interfaces (United States)

    Long, Yao; Chen, Jun


    We develop a method to calculate the local vibrational mode and phonon refraction probability of a 1,3,5-triamino-2,4,6-trinitrobenzene/graphite interface, and use them to evaluate the interfacial free energy, heat capacity and thermal conductivity. We find that the heat exchange across the interface is sensitive with five incident phonon states. The frequencies, vibrational modes, refraction angles and refraction probabilities of the sensitive states are calculated. The relationship between vibrational modes and thermodynamic properties at the interface is obtained.

  20. Generic flux coupling analysis. (United States)

    Reimers, Arne C; Goldstein, Yaron; Bockmayr, Alexander


    Flux coupling analysis (FCA) has become a useful tool for aiding metabolic reconstructions and guiding genetic manipulations. Originally, it was introduced for constraint-based models of metabolic networks that are based on the steady-state assumption. Recently, we have shown that the steady-state assumption can be replaced by a weaker lattice-theoretic property related to the supports of metabolic fluxes. In this paper, we further extend our approach and develop an efficient algorithm for generic flux coupling analysis that works with any kind of qualitative pathway model. We illustrate our method by thermodynamic flux coupling analysis (tFCA), which allows studying steady-state metabolic models with loop-law thermodynamic constraints. These models do not satisfy the lattice-theoretic properties required in our previous work. For a selection of genome-scale metabolic network reconstructions, we discuss both theoretically and practically, how thermodynamic constraints strengthen the coupling results that can be obtained with classical FCA. A prototype implementation of tFCA is available at Copyright © 2015 Elsevier Inc. All rights reserved.

  1. Linear response function for coupled hyperbolic attractors

    CERN Document Server

    Jiang, M


    We prove that when we take the thermodynamic limit in the context of coupled hyperbolic attractors, Ruelle's derivative formula of the SRB measure with respect to the underlying dynamical system remains true if one of the terms is interpreted appropriately.

  2. Thermodynamics of Crystalline States

    CERN Document Server

    Fujimoto, Minoru


    Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium with the surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattice, which therefore need to be determined for a clear and well-defined description of crystalline states. Thermodynamics of Crystalline States explores the roles played by order variables and dynamic lattices in crystals in a wholly new way. The book begins by clarifying basic concepts for stable crystals. Next, binary phase transitions are discussed to study collective motion of order variables, as described mostly as classical phenomena. New to this edition is the examination of magnetic crystals, where magnetic symmetry is essential for magnetic phase transitions. The multi-electron system is also discussed  theoretically, as a quantum-mechanical example, for superconductivity in metallic crystals. Throughout the book, the role played by the lattice is emphasized and studied in-depth. Thermod...

  3. Mechanics and thermodynamics

    CERN Document Server

    Demtröder, Wolfgang


    This introduction to classical mechanics and thermodynamics provides an accessible and clear treatment of the fundamentals. Starting with particle mechanics and an early introduction to special relativity this textbooks enables the reader to understand the basics in mechanics. The text is written from the experimental physics point of view, giving numerous real life examples and applications of classical mechanics in technology. This highly motivating presentation deepens the knowledge in a very accessible way. The second part of the text gives a concise introduction to rotational motion, an expansion to rigid bodies, fluids and gases. Finally, an extensive chapter on thermodynamics and a short introduction to nonlinear dynamics with some instructive examples intensify the knowledge of more advanced topics. Numerous problems with detailed solutions are perfect for self study.

  4. Thermodynamics and emergent universe


    Ghosh, Saumya; Gangopadhyay, Sunandan


    We show that in the isentropic scenario the first order thermodynamical particle creation model gives an emergent universe solution even when the chemical potential is non-zero. However there exists no emergent universe scenario in the second order non-equilibrium theory for the particle creation model. We then point out a correspondence between the particle creation model with barotropic equation of state and the equation of state giving rise to an emergent universe without particle creation...

  5. Proton translocation in cytochrome c oxidase: insights from proton exchange kinetics and vibrational spectroscopy. (United States)

    Ishigami, Izumi; Hikita, Masahide; Egawa, Tsuyoshi; Yeh, Syun-Ru; Rousseau, Denis L


    Cytochrome c oxidase is the terminal enzyme in the electron transfer chain. It reduces oxygen to water and harnesses the released energy to translocate protons across the inner mitochondrial membrane. The mechanism by which the oxygen chemistry is coupled to proton translocation is not yet resolved owing to the difficulty of monitoring dynamic proton transfer events. Here we summarize several postulated mechanisms for proton translocation, which have been supported by a variety of vibrational spectroscopic studies. We recently proposed a proton translocation model involving proton accessibility to the regions near the propionate groups of the heme a and heme a3 redox centers of the enzyme based by hydrogen/deuterium (H/D) exchange Raman scattering studies (Egawa et al., PLoS ONE 2013). To advance our understanding of this model and to refine the proton accessibility to the hemes, the H/D exchange dependence of the heme propionate group vibrational modes on temperature and pH was measured. The H/D exchange detected at the propionate groups of heme a3 takes place within a few seconds under all conditions. In contrast, that detected at the heme a propionates occurs in the oxidized but not the reduced enzyme and the H/D exchange is pH-dependent with a pKa of ~8.0 (faster at high pH). Analysis of the thermodynamic parameters revealed that, as the pH is varied, entropy/enthalpy compensation held the free energy of activation in a narrow range. The redox dependence of the possible proton pathways to the heme groups is discussed. This article is part of a Special Issue entitled: Vibrational spectroscopies and bioenergetic systems. Copyright © 2014 Elsevier B.V. All rights reserved.

  6. The discovery of thermodynamics (United States)

    Weinberger, Peter


    Based on the idea that a scientific journal is also an "agora" (Greek: market place) for the exchange of ideas and scientific concepts, the history of thermodynamics between 1800 and 1910 as documented in the Philosophical Magazine Archives is uncovered. Famous scientists such as Joule, Thomson (Lord Kelvin), Clausius, Maxwell or Boltzmann shared this forum. Not always in the most friendly manner. It is interesting to find out, how difficult it was to describe in a scientific (mathematical) language a phenomenon like "heat", to see, how long it took to arrive at one of the fundamental principles in physics: entropy. Scientific progress started from the simple rule of Boyle and Mariotte dating from the late eighteenth century and arrived in the twentieth century with the concept of probabilities. Thermodynamics was the driving intellectual force behind the industrial revolution, behind the enormous social changes caused by this revolution. The history of thermodynamics is a fascinating story, which also gives insights into the mechanism that seem to govern science.

  7. Computational Fluid Dynamic Analysis of a Vibrating Turbine Blade

    Directory of Open Access Journals (Sweden)

    Osama N. Alshroof


    Full Text Available This study presents the numerical fluid-structure interaction (FSI modelling of a vibrating turbine blade using the commercial software ANSYS-12.1. The study has two major aims: (i discussion of the current state of the art of modelling FSI in gas turbine engines and (ii development of a “tuned” one-way FSI model of a vibrating turbine blade to investigate the correlation between the pressure at the turbine casing surface and the vibrating blade motion. Firstly, the feasibility of the complete FSI coupled two-way, three-dimensional modelling of a turbine blade undergoing vibration using current commercial software is discussed. Various modelling simplifications, which reduce the full coupling between the fluid and structural domains, are then presented. The one-way FSI model of the vibrating turbine blade is introduced, which has the computational efficiency of a moving boundary CFD model. This one-way FSI model includes the corrected motion of the vibrating turbine blade under given engine flow conditions. This one-way FSI model is used to interrogate the pressure around a vibrating gas turbine blade. The results obtained show that the pressure distribution at the casing surface does not differ significantly, in its general form, from the pressure at the vibrating rotor blade tip.

  8. Generalized second law of thermodynamic in modified teleparallel theory

    Energy Technology Data Exchange (ETDEWEB)

    Zubair, M. [COMSATS Institute of Information Technology, Department of Mathematics, Lahore (Pakistan); Bahamonde, Sebastian [University College London, Department of Mathematics, London (United Kingdom); Jamil, Mubasher [National University of Sciences and Technology (NUST), Department of Mathematics, School of Natural Sciences (SNS), Islamabad (Pakistan)


    This study is conducted to examine the validity of the generalized second law of thermodynamics (GSLT) in flat FRW for modified teleparallel gravity involving coupling between a scalar field with the torsion scalar T and the boundary term B = 2∇{sub μ}T{sup μ}. This theory is very useful, since it can reproduce other important well-known scalar field theories in suitable limits. The validity of the first and second law of thermodynamics at the apparent horizon is discussed for any coupling. As examples, we have also explored the validity of those thermodynamics laws in some new cosmological solutions under the theory. Additionally, we have also considered the logarithmic entropy corrected relation and discuss the GSLT at the apparent horizon. (orig.)

  9. Model Indepedent Vibration Control


    Yuan, Jing


    A NMIFC system is proposed for broadband vibration control. It has two important features. Feature F1 is that the NMIFC is stable without introducing any invasive effects, such as probing signals or controller perturbations, into the vibration system; feature F2 is

  10. 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...

  11. 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 2nd edition of this textbook on linear stochastic vibration...

  12. Hydroelastic Vibrations of Ships

    DEFF Research Database (Denmark)

    Jensen, Jørgen Juncher; Folsø, Rasmus


    A formula for the necessary hull girder bending stiffness required to avoid serious springing vibrations is derived. The expression takes into account the zero crossing period of the waves, the ship speed and main dimensions. For whipping vibrations the probability of exceedance for the combined...

  13. Gearbox vibration diagnostic analyzer (United States)


    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. Mechanical vibration to electrical energy converter (United States)

    Kellogg, Rick Allen [Tijeras, NM; Brotz, Jay Kristoffer [Albuquerque, NM


    Electromechanical devices that generate an electrical signal in response to an external source of mechanical vibrations can operate as a sensor of vibrations and as an energy harvester for converting mechanical vibration to electrical energy. The devices incorporate a magnet that is movable through a gap in a ferromagnetic circuit, wherein a coil is wound around a portion of the ferromagnetic circuit. A flexible coupling is used to attach the magnet to a frame for providing alignment of the magnet as it moves or oscillates through the gap in the ferromagnetic circuit. The motion of the magnet can be constrained to occur within a substantially linear range of magnetostatic force that develops due to the motion of the magnet. The devices can have ferromagnetic circuits with multiple arms, an array of magnets having alternating polarity and, encompass micro-electromechanical (MEM) devices.

  15. Mechanical vibration and shock analysis, sinusoidal vibration

    CERN Document Server

    Lalanne, Christian


    Everything engineers need to know about mechanical vibration and 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

  16. Analysis of a Lorentz force based vibration exciter using permanent ...

    Indian Academy of Sciences (India)

    This work presents performance analysis of a Lorentz force based noncontact vibration exciter by mounting a couple of permanent magnets on a piezoelectric stack. A conductor is attached to the structure to be excited and is placed midway between unlike poles of a couple of permanent magnets. The permanent magnets ...

  17. Vibrations of rotating machinery

    CERN Document Server

    Matsushita, Osami; Kanki, Hiroshi; Kobayashi, Masao; Keogh, Patrick


    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...

  18. An electroactive polymer based concept for vibration reduction via adaptive supports (United States)

    Wolf, Kai; Röglin, Tobias; Haase, Frerk; Finnberg, Torsten; Steinhoff, Bernd


    A concept for the suppression of resonant vibration of an elastic system undergoing forced vibration coupled to electroactive polymer (EAP) actuators based on dielectric elastomers is demonstrated. The actuators are utilized to vary the stiffness of the end support of a clamped beam, which is forced to harmonic vibration via a piezoelectric patch. Due to the nonlinear dependency of the elastic modulus of the EAP material, the modulus can be changed by inducing an electrostrictive deformation. The resulting change in stiffness of the EAP actuator leads to a shift of the resonance frequencies of the vibrating beam, enabling an effective reduction of the vibration amplitude by an external electric signal. Using a custom-built setup employing an aluminum vibrating beam coupled on both sides to electrodized strips of VHB tape, a significant reduction of the resonance amplitude was achieved. The effectiveness of this concept compared to other active and passive concepts of vibration reduction is discussed.

  19. Halogenation of aromatic compounds: thermodynamic, mechanistic and ecological aspects

    NARCIS (Netherlands)

    Dolfing, J.


    Biological halogenation of aromatic compounds implies the generation of reducing equivalents in the form of e.g. NADH. Thermodynamic calculations show that coupling the halogenation step to a step in which the reducing equivalents are oxidized with a potent oxidant such as O2 or N2O makes the

  20. Quantum analysis and thermodynamic operator relations in stochastic energetics (United States)

    Koide, Tomoi


    We introduce a model of the quantum Brownian motion coupled to a classical neat bath by using the operator differential proposed in the quantum analysis. We then define the heat operator by adapting the idea of the stochastic energetics. The introduced operator satisfies the relations which are analogous to the first and second laws of thermodynamics.

  1. Molecular dynamics of the structure and thermodynamics of dusty ...

    African Journals Online (AJOL)

    The static structure and thermodynamic properties of two-dimensional dusty plasma are analyzed for some typical values of coupling and screening parameters using classical molecular dynamics. Radial distribution function and static structure factor are computed. The radial distribution functions display the typical ...

  2. Thermodynamics: The Unique Universal Science

    Directory of Open Access Journals (Sweden)

    Wassim M. Haddad


    Full Text Available Thermodynamics is a physical branch of science that governs the thermal behavior of dynamical systems from those as simple as refrigerators to those as complex as our expanding universe. The laws of thermodynamics involving conservation of energy and nonconservation of entropy are, without a doubt, two of the most useful and general laws in all sciences. The first law of thermodynamics, according to which energy cannot be created or destroyed, merely transformed from one form to another, and the second law of thermodynamics, according to which the usable energy in an adiabatically isolated dynamical system is always diminishing in spite of the fact that energy is conserved, have had an impact far beyond science and engineering. In this paper, we trace the history of thermodynamics from its classical to its postmodern forms, and present a tutorial and didactic exposition of thermodynamics as it pertains to some of the deepest secrets of the universe.

  3. Thermodynamics of adaptive molecular resolution. (United States)

    Delgado-Buscalioni, R


    A relatively general thermodynamic formalism for adaptive molecular resolution (AMR) is presented. The description is based on the approximation of local thermodynamic equilibrium and considers the alchemic parameter λ as the conjugate variable of the potential energy difference between the atomistic and coarse-grained model Φ=U(1)-U(0) The thermodynamic formalism recovers the relations obtained from statistical mechanics of H-AdResS (Español et al, J. Chem. Phys. 142, 064115, 2015 (doi:10.1063/1.4907006)) and provides relations between the free energy compensation and thermodynamic potentials. Inspired by this thermodynamic analogy, several generalizations of AMR are proposed, such as the exploration of new Maxwell relations and how to treat λ and Φ as 'real' thermodynamic variablesThis article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

  4. RNA Thermodynamic Structural Entropy. (United States)

    Garcia-Martin, Juan Antonio; Clote, Peter


    Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs). However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE) element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner'99 and Turner'04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at; a full web server is available at http

  5. RNA Thermodynamic Structural Entropy.

    Directory of Open Access Journals (Sweden)

    Juan Antonio Garcia-Martin

    Full Text Available Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs. However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner'99 and Turner'04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at; a full web server is available at http

  6. A hybrid nonlinear vibration energy harvester (United States)

    Yang, Wei; Towfighian, Shahrzad


    Vibration energy harvesting converts mechanical energy from ambient sources to electricity to power remote sensors. Compared to linear resonators that have poor performance away from their natural frequency, nonlinear vibration energy harvesters perform better because they use vibration energy over a broader spectrum. We present a hybrid nonlinear energy harvester that combines bi-stability with internal resonance to increase the frequency bandwidth. A two-fold increase in the frequency bandwidth can be obtained compared to a bi-stable system with fixed magnets. The harvester consists of a piezoelectric cantilever beam carrying a movable magnet facing a fixed magnet. A spring allows the magnet to move along the beam and it provides an extra stored energy to further increase the amplitude of vibration acting as a mechanical amplifier. An electromechanically coupled mathematical model of the system is presented to obtain the dynamic response of the cantilever beam, the movable magnet and the output voltage. The perturbation method of multiple scales is applied to solve these equations and obtain approximate analytical solutions. The effects of various system parameters on the frequency responses are investigated. The numerical approaches of the long time integration (Runge-Kutta method) and the shooting technique are used to verify the analytical results. The results of this study can be used to improve efficiency in converting wasted mechanical vibration to useful electrical energy by broadening the frequency bandwidth.

  7. Time and Thermodynamics

    CERN Document Server

    Kirkland, Kyle


    Temperature is vital to the health and welfare of all living beings, and Earth's temperature varies considerably from place to place. Early humans could only live in warm areas such as the tropics. Although modern humans have the technology to keep their houses and offices warm even in cold environments, the growth and development of civilization has created unintentional effects. Cities are warmer than their surrounding regions, and on a global scale, Earth is experiencing rising temperatures. Thus, the science of thermodynamics offers an important tool to study these effects. "Time and

  8. Structure and thermodynamics of hard-core Yukawa fluids: thermodynamic perturbation approaches. (United States)

    Kim, Eun-Young; Kim, Soon-Chul; Seong, Baek-Seok


    The thermodynamic perturbation theories, which are based on the power series of a coupling constant (λ-expansion), have been proposed for studying the structural and thermodynamic properties of a hard-core Yukawa (HCY) fluid: one (A1-approximation) is the perturbation theory based on the hard-sphere repulsion as a reference system. The other (A2-approximation) is the perturbation theory based on the reference system which incorporates both the repulsive and short-range attractive interactions. The first-order mean-spherical approximation (FMSA) provided by Tang and Lu [J. Chem. Phys. 99, 9828 (1993)] has been employed for investigating the thermodynamic properties of a HCY fluid using the alternative method via the direct correlation function. The calculated results show that (i) the A1 and A2 approximations are in excellent agreements with previous computer simulation results in the literature and compare with the semi-empirical works of Shukla including the higher-order free energy terms, (ii) the A1 and A2 approximations are better than the FMSA and the mean-spherical approximation, (iii) the A2-approximation compares with the A1-approximation, even though the perturbation effect of an A2-approximation is much smaller than that of an A1-approximation, and that (iv) the FMSA study is particularly of advantage in providing the structure and thermodynamics in a simple and analytic manner.

  9. Holographic free energy and thermodynamic geometry

    Energy Technology Data Exchange (ETDEWEB)

    Ghorai, Debabrata [S.N. Bose National Centre for Basic Sciences, Kolkata (India); Gangopadhyay, Sunandan [Indian Institute of Science Education and Research, Kolkata, Nadia (India); West Bengal State University, Department of Physics, Barasat (India); Inter University Centre for Astronomy and Astrophysics, Pune (India)


    We obtain the free energy and thermodynamic geometry of holographic superconductors in 2 + 1 dimensions. The gravitational theory in the bulk dual to this 2 + 1-dimensional strongly coupled theory lives in the 3 + 1 dimensions and is that of a charged AdS black hole together with a massive charged scalar field. The matching method is applied to obtain the nature of the fields near the horizon using which the holographic free energy is computed through the gauge/gravity duality. The critical temperature is obtained for a set of values of the matching point of the near horizon and the boundary behaviour of the fields in the probe limit approximation which neglects the back reaction of the matter fields on the background spacetime geometry. The thermodynamic geometry is then computed from the free energy of the boundary theory. From the divergence of the thermodynamic scalar curvature, the critical temperature is obtained once again. We then compare this result for the critical temperature with that obtained from the matching method. (orig.)

  10. Molecular thermodynamics of nonideal fluids

    CERN Document Server

    Lee, Lloyd L


    Molecular Thermodynamics of Nonideal Fluids serves as an introductory presentation for engineers to the concepts and principles behind and the advances in molecular thermodynamics of nonideal fluids. The book covers related topics such as the laws of thermodynamics; entropy; its ensembles; the different properties of the ideal gas; and the structure of liquids. Also covered in the book are topics such as integral equation theories; theories for polar fluids; solution thermodynamics; and molecular dynamics. The text is recommended for engineers who would like to be familiarized with the concept

  11. Thermodynamics of Accelerating Black Holes. (United States)

    Appels, Michael; Gregory, Ruth; Kubizňák, David


    We address a long-standing problem of describing the thermodynamics of an accelerating black hole. We derive a standard first law of black hole thermodynamics, with the usual identification of entropy proportional to the area of the event horizon-even though the event horizon contains a conical singularity. This result not only extends the applicability of black hole thermodynamics to realms previously not anticipated, it also opens a possibility for studying novel properties of an important class of exact radiative solutions of Einstein equations describing accelerated objects. We discuss the thermodynamic volume, stability, and phase structure of these black holes.

  12. Low-frequency vibration control of floating slab tracks using dynamic vibration absorbers (United States)

    Zhu, Shengyang; Yang, Jizhong; Yan, Hua; Zhang, Longqing; Cai, Chengbiao


    This study aims to effectively and robustly suppress the low-frequency vibrations of floating slab tracks (FSTs) using dynamic vibration absorbers (DVAs). First, the optimal locations where the DVAs are attached are determined by modal analysis with a finite element model of the FST. Further, by identifying the equivalent mass of the concerned modes, the optimal stiffness and damping coefficient of each DVA are obtained to minimise the resonant vibration amplitudes based on fixed-point theory. Finally, a three-dimensional coupled dynamic model of a metro vehicle and the FST with the DVAs is developed based on the nonlinear Hertzian contact theory and the modified Kalker linear creep theory. The track irregularities are included and generated by means of a time-frequency transformation technique. The effect of the DVAs on the vibration absorption of the FST subjected to the vehicle dynamic loads is evaluated with the help of the insertion loss in one-third octave frequency bands. The sensitivities of the mass ratio of DVAs and the damping ratio of steel-springs under the floating slab are discussed as well, which provided engineers with the DVA's adjustable room for vibration mitigation. The numerical results show that the proposed DVAs could effectively suppress low-frequency vibrations of the FST when tuned correctly and attached properly. The insertion loss due to the attachment of DVAs increases as the mass ratio increases, whereas it decreases with the increase in the damping ratio of steel-springs.

  13. Structural Stability and Vibration

    DEFF Research Database (Denmark)

    Wiggers, Sine Leergaard; Pedersen, Pauli

    This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author at the Uni......This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author...... and their derivation, thus stimulating them to write interactive and dynamic programs to analyze instability and vibrational modes....

  14. Thermodynamics of Fluid Polyamorphism (United States)

    Anisimov, Mikhail A.; Duška, Michal; Caupin, Frédéric; Amrhein, Lauren E.; Rosenbaum, Amanda; Sadus, Richard J.


    Fluid polyamorphism is the existence of different condensed amorphous states in a single-component fluid. It is either found or predicted, usually at extreme conditions, for a broad group of very different substances, including helium, carbon, silicon, phosphorous, sulfur, tellurium, cerium, hydrogen, and tin tetraiodide. This phenomenon is also hypothesized for metastable and deeply supercooled water, presumably located a few degrees below the experimental limit of homogeneous ice formation. We present a generic phenomenological approach to describe polyamorphism in a single-component fluid, which is completely independent of the molecular origin of the phenomenon. We show that fluid polyamorphism may occur either in the presence or in the absence of fluid phase separation depending on the symmetry of the order parameter. In the latter case, it is associated with a second-order transition, such as in liquid helium or liquid sulfur. To specify the phenomenology, we consider a fluid with thermodynamic equilibrium between two distinct interconvertible states or molecular structures. A fundamental signature of this concept is the identification of the equilibrium fraction of molecules involved in each of these alternative states. However, the existence of the alternative structures may result in polyamorphic fluid phase separation only if mixing of these structures is not ideal. The two-state thermodynamics unifies all the debated scenarios of fluid polyamorphism in different areas of condensed-matter physics, with or without phase separation, and even goes beyond the phenomenon of polyamorphism by generically describing the anomalous properties of fluids exhibiting interconversion of alternative molecular states.

  15. Thermodynamics of geothermal fluids

    Energy Technology Data Exchange (ETDEWEB)

    Rogers, P.S.Z.


    A model to predict the thermodynamic properties of geothermal brines, based on a minimum amount of experimental data on a few key systems, is tested. Volumetric properties of aqueous sodium chloride, taken from the literature, are represented by a parametric equation over the range 0 to 300{sup 0}C and 1 bar to 1 kbar. Density measurements at 20 bar needed to complete the volumetric description also are presented. The pressure dependence of activity and thermal properties, derived from the volumetric equation, can be used to complete an equation of state for sodium chloride solutions. A flow calorimeter, used to obtain heat capacity data at high temperatures and pressures, is described. Heat capacity measurements, from 30 to 200{sup 0}C and 1 bar to 200 bar, are used to derive values for the activity coefficient and other thermodynamic properties of sodium sulfate solutions as a function of temperature. Literature data on the solubility of gypsum in mixed electrolyte solutions have been used to evaluate model parameters for calculating gypsum solubility in seawater and natural brines. Predictions of strontium and barium sulfate solubility in seawater also are given.

  16. Biochemical Thermodynamics under near Physiological Conditions (United States)

    Mendez, Eduardo


    The recommendations for nomenclature and tables in Biochemical Thermodynamics approved by IUBMB and IUPAC in 1994 can be easily introduced after the chemical thermodynamic formalism. Substitution of the usual standard thermodynamic properties by the transformed ones in the thermodynamic equations, and the use of appropriate thermodynamic tables…

  17. Molecular motors: thermodynamics and the random walk. (United States)

    Thomas, N; Imafuku, Y; Tawada, K


    The biochemical cycle of a molecular motor provides the essential link between its thermodynamics and kinetics. The thermodynamics of the cycle determine the motor's ability to perform mechanical work, whilst the kinetics of the cycle govern its stochastic behaviour. We concentrate here on tightly coupled, processive molecular motors, such as kinesin and myosin V, which hydrolyse one molecule of ATP per forward step. Thermodynamics require that, when such a motor pulls against a constant load f, the ratio of the forward and backward products of the rate constants for its cycle is exp [-(DeltaG + u(0)f)/kT], where -DeltaG is the free energy available from ATP hydrolysis and u(0) is the motor's step size. A hypothetical one-state motor can therefore act as a chemically driven ratchet executing a biased random walk. Treating this random walk as a diffusion problem, we calculate the forward velocity v and the diffusion coefficient D and we find that its randomness parameter r is determined solely by thermodynamics. However, real molecular motors pass through several states at each attachment site. They satisfy a modified diffusion equation that follows directly from the rate equations for the biochemical cycle and their effective diffusion coefficient is reduced to D-v(2)tau, where tau is the time-constant for the motor to reach the steady state. Hence, the randomness of multistate motors is reduced compared with the one-state case and can be used for determining tau. Our analysis therefore demonstrates the intimate relationship between the biochemical cycle, the force-velocity relation and the random motion of molecular motors.

  18. Structural, electronic, and thermodynamic properties of curium dioxide: Density functional theory calculations (United States)

    Hou, Ling; Li, Wei-Dong; Wang, Fangwei; Eriksson, Olle; Wang, Bao-Tian


    We present a systematic investigation of the structural, magnetic, electronic, mechanical, and thermodynamic properties of CmO2 with the local density approximation (LDA)+U and the generalized gradient approximation (GGA)+U approaches. The strong Coulomb repulsion and the spin-orbit coupling (SOC) effects on the lattice structures, electronic density of states, and band gaps are carefully studied, and compared with other A O2 (A =U , Np, Pu, and Am). The ferromagnetic configuration with half-metallic character is predicted to be energetically stable while a charge-transfer semiconductor is predicted for the antiferromagnetic configuration. The elastic constants and phonon spectra show that the fluorite structure is mechanically and dynamically stable. Based on the first-principles phonon density of states, the lattice vibrational energy is calculated using the quasiharmonic approximation. Then, the Gibbs free energy, thermal expansion coefficient, specific heat, and entropy are obtained and compared with experimental data. The mode Grüneisen parameters are presented to analyze the anharmonic properties. The Slack relation is applied to obtain the lattice thermal conductivity in temperature range of 300-1600 K. The phonon group velocities are also calculated to investigate the heat transfer. For all these properties, if available, we compare the results of CmO2 with other A O2 .

  19. Vibration Analysis and the Accelerometer (United States)

    Hammer, Paul


    Have you ever put your hand on an electric motor or motor-driven electric appliance and felt it vibrate? Ever wonder why it vibrates? What is there about the operation of the motor, or the object to which it is attached, that causes the vibrations? Is there anything "regular" about the vibrations, or are they the result of random causes? In this…

  20. A thermodynamic counterpart of the Axelrod model of social influence: The one-dimensional case (United States)

    Gandica, Y.; Medina, E.; Bonalde, I.


    We propose a thermodynamic version of the Axelrod model of social influence. In one-dimensional (1D) lattices, the thermodynamic model becomes a coupled Potts model with a bonding interaction that increases with the site matching traits. We analytically calculate thermodynamic and critical properties for a 1D system and show that an order-disorder phase transition only occurs at T=0 independent of the number of cultural traits q and features F. The 1D thermodynamic Axelrod model belongs to the same universality class of the Ising and Potts models, notwithstanding the increase of the internal dimension of the local degree of freedom and the state-dependent bonding interaction. We suggest a unifying proposal to compare exponents across different discrete 1D models. The comparison with our Hamiltonian description reveals that in the thermodynamic limit the original out-of-equilibrium 1D Axelrod model with noise behaves like an ordinary thermodynamic 1D interacting particle system.

  1. Dynamics of Multistage Gear Transmission with Effects of Gearbox Vibrations (United States)

    Choy, F. K.; Tu, Y. K.; Zakrajsek, J. J.; Townsend, Dennis P.


    A comprehensive approach is presented in analyzing the dynamic behavior of multistage gear transmission systems with the effects of gearbox induced vibrations and mass imbalances of the rotor. The modal method, with undamped frequencies and planar mode shapes, is used to reduce the degrees of freedom of the gear system for time-transient dynamic analysis. Both the lateral and torsional vibration modes of each rotor-bearing-gear stage as well as the interstage vibrational characteristics are coupled together through localized gear mesh tooth interactions. In addition, gearbox vibrations are also coupled to the rotor-bearing-gear system dynamics through bearing support forces between the rotor and the gearbox. Transient and steady state dynamics of lateral and torsional vibrations of the geared system are examined in both time and frequency domains to develop interpretations of the overall modal dynamic characteristics under various operating conditions. A typical three-stage geared system is used as an example. Effects of mass imbalance and gearbox vibrations on the system dynamic behavior are presented in terms of modal excitation functions for both lateral and torsional vibrations. Operational characteristics and conclusions are drawn from the results presented.

  2. Vibrations and Stability

    DEFF Research Database (Denmark)

    Thomsen, Jon Juel

    About this textbook An ideal text for students that ties together classical and modern topics of advanced vibration analysis in an interesting and lucid manner. It provides students with a background in elementary vibrations with the tools necessary for understanding and analyzing more complex...... dynamical phenomena that can be encountered in engineering and scientific practice. It progresses steadily from linear vibration theory over various levels of nonlinearity to bifurcation analysis, global dynamics and chaotic vibrations. It trains the student to analyze simple models, recognize nonlinear...... phenomena and work with advanced tools such as perturbation analysis and bifurcation analysis. Explaining theory in terms of relevant examples from real systems, this book is user-friendly and meets the increasing interest in non-linear dynamics in mechanical/structural engineering and applied mathematics...

  3. Ultrafast Dynamics of Vibration-Cavity Polariton Modes (United States)

    Owrutsky, Jeff; Dunkelberger, Adam; Fears, Kenan; Simpkins, Blake; Spann, Bryan

    Vibrational modes of polymers, liquids, and solvated compounds can couple to Fabry-Perot optical cavity modes, creating vibration-cavity polariton modes whose energy tunes with the cavity length and incidence angle. Here we report the pump-probe infrared spectroscopy of vibration-cavity polaritons in cavity-coupled W(CO)6. At very early times, we observe quantum beating between the two polariton states find an anomalously low degree of excitation. After the quantum beating, we directly observe spectroscopic signatures of excited-state absorption from both polariton modes and uncoupled reservoir modes. An analytical expression for cavity transmission reproduces these signatures. The upper polariton mode relaxes ten times more quickly than the uncoupled vibrational mode and the polariton lifetime depends on the angle of incidence of the infrared pulses. Coupling to an optical cavity gives a means of control of the lifetime of vibration-cavity polaritons and could have important implications for chemical reactivity in vibrationally excited molecules.

  4. Thermodynamics of disordered Heisenberg model (United States)

    Mulanix, Michael; Khatami, Ehsan

    Using numerical linked-cluster expansions, we study the thermodynamic properties of the disordered Heisenberg model on the square lattice. We implement a new technique for treating continuous disorder within the NLCE and obtain results for the energy, entropy, specific heat, and spin correlations in the thermodynamic limit.

  5. Thermodynamic aspects of energy conservation

    NARCIS (Netherlands)

    Gool, W. van


    Thermodynamics deals with processes in a time independent approach. Industrial productions and many other activities are bound to perform a certain production per unit of time. It will be demonstrated that the stationary process model is a useful tool in relating thermodynamic functions to the

  6. Thermodynamics from Car to Kitchen (United States)

    Auty, Geoff


    The historical background to the laws of thermodynamics is explained using examples we can all observe in the world around us, focusing on motorised transport, refrigeration and solar heating. This is not to be considered as an academic article. The purpose is to improve understanding of thermodynamics rather than impart new knowledge, and for…

  7. The Thermodynamics of Black Holes

    Directory of Open Access Journals (Sweden)

    Wald Robert M.


    Full Text Available We review the present status of black hole thermodynamics. Our review includes discussion of classical black hole thermodynamics, Hawking radiation from black holes, the generalized second law, and the issue of entropy bounds. A brief survey also is given of approaches to the calculation of black hole entropy. We conclude with a discussion of some unresolved open issues.

  8. Thermodynamics of spinning branes and their dual field theories

    DEFF Research Database (Denmark)

    Harmark, Troels; Obers, N. A.


    limits are remarkably close and (ii) The tree-level R^4 corrections to the spinning D3-brane generate a decrease in the free energy at strong coupling towards the weak coupling result. We also comment on the generalization to spinning brane bound states and their thermodynamics, which are relevant......-symmetry. The thermodynamics is used to provide two pieces of evidence in favor of a smooth interpolation function between the free energy at weak and strong coupling of the field theory. (i) A computation of the boundaries of stability shows that for the D2, D3, D4, M2 and M5-branes the critical values of Omega/T in the two......We discuss general spinning p-branes of string and M-theory and use their thermodynamics along with the correspondence between near-horizon brane solutions and field theories with 16 supercharges to describe the thermodynamic behavior of these theories in the presence of voltages under the R...

  9. Thermodynamics of quantum-jump-conditioned feedback control. (United States)

    Strasberg, Philipp; Schaller, Gernot; Brandes, Tobias; Esposito, Massimiliano


    We consider open quantum systems weakly coupled to thermal reservoirs and subjected to quantum feedback operations triggered with or without delay by monitored quantum jumps. We establish a thermodynamic description of such systems and analyze how the first and second law of thermodynamics are modified by the feedback. We apply our formalism to study the efficiency of a qubit subjected to a quantum feedback control and operating as a heat pump between two reservoirs. We also demonstrate that quantum feedbacks can be used to stabilize coherences in nonequilibrium stationary states which in some cases may even become pure quantum states.

  10. Gauge invariance and geometric phase in nonequilibrium thermodynamics. (United States)

    Borlenghi, Simone


    We show the link between U(1) lattice gauge theories and the off-equilibrium thermodynamics of a large class of nonlinear oscillators networks. The coupling between the oscillators plays the role of a gauge field, or connection, on the network. The thermodynamical forces that drive energy flows are expressed in terms of the curvature of the connection, analogous to a geometric phase. The model, which holds both close and far from equilibrium, predicts the existence of persistent energy and particle currents circulating in closed loops through the network. The predictions are confirmed by numerical simulations. Possible extension of the theory and experimental applications to nanoscale devices are briefly discussed.

  11. Applied thermodynamics: A new frontier for biotechnology

    DEFF Research Database (Denmark)

    Mollerup, Jørgen


    The scientific career of one of the most outstanding scientists in molecular thermodynamics, Professor John M. Prausnitz at Berkeley, reflects the change in the agenda of molecular thermodynamics, from hydrocarbon chemistry to biotechnology. To make thermodynamics a frontier for biotechnology...

  12. Thermodynamic properties of cryogenic fluids

    CERN Document Server

    Leachman, Jacob; Lemmon, Eric; Penoncello, Steven


    This update to a classic reference text provides practising engineers and scientists with accurate thermophysical property data for cryogenic fluids. The equations for fifteen important cryogenic fluids are presented in a basic format, accompanied by pressure-enthalpy and temperature-entropy charts and tables of thermodynamic properties. It begins with a chapter introducing the thermodynamic relations and functional forms for equations of state, and goes on to describe the requirements for thermodynamic property formulations, needed for the complete definition of the thermodynamic properties of a fluid. The core of the book comprises extensive data tables and charts for the most commonly-encountered cryogenic fluids. This new edition sees significant updates to the data presented for air, argon, carbon monoxide, deuterium, ethane, helium, hydrogen, krypton, nitrogen and xenon. The book supports and complements NIST’s REFPROP - an interactive database and tool for the calculation of thermodynamic propertie...

  13. Thermodynamics and energy conversion

    CERN Document Server

    Struchtrup, Henning


    This textbook gives a thorough treatment of engineering thermodynamics with applications to classical and modern energy conversion devices.   Some emphasis lies on the description of irreversible processes, such as friction, heat transfer and mixing, and the evaluation of the related work losses. Better use of resources requires high efficiencies, therefore the reduction of irreversible losses should be seen as one of the main goals of a thermal engineer. This book provides the necessary tools.   Topics include: car and aircraft engines,  including Otto, Diesel and Atkinson cycles, by-pass turbofan engines, ramjet and scramjet;  steam and gas power plants, including advanced regenerative systems, solar tower, and compressed air energy storage; mixing and separation, including reverse osmosis, osmotic powerplants, and carbon sequestration; phase equilibrium and chemical equilibrium, distillation, chemical reactors, combustion processes, and fuel cells; the microscopic definition of entropy.    The book i...

  14. Thermodynamics of anisotropic branes

    Energy Technology Data Exchange (ETDEWEB)

    Ávila, Daniel [Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México, A.P. 70-542, México D.F. 04510 (Mexico); Fernández, Daniel [Max-Planck-Institut für Physik,Föhringer Ring 6, 80805 München (Germany); Patiño, Leonardo [Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México, A.P. 70-542, México D.F. 04510 (Mexico); Trancanelli, Diego [Institute of Physics, University of São Paulo,05314-970 São Paulo (Brazil)


    We study the thermodynamics of flavor D7-branes embedded in an anisotropic black brane solution of type IIB supergravity. The flavor branes undergo a phase transition between a ‘Minkowski embedding’, in which they lie outside of the horizon, and a ‘black hole embedding’, in which they fall into the horizon. This transition depends on the black hole temperature, its degree of anisotropy, and the mass of the flavor degrees of freedom. It happens either at a critical temperature or at a critical anisotropy. A general lesson we learn from this analysis is that the anisotropy, in this particular realization, induces similar effects as the temperature. In particular, increasing the anisotropy bends the branes more and more into the horizon. Moreover, we observe that the transition becomes smoother for higher anisotropies.

  15. Thermodynamics of Protein Aggregation (United States)

    Osborne, Kenneth L.; Barz, Bogdan; Bachmann, Michael; Strodel, Birgit

    Amyloid protein aggregation characterizes many neurodegenerative disorders, including Alzheimer's, Parkinson's, and Creutz- feldt-Jakob disease. Evidence suggests that amyloid aggregates may share similar aggregation pathways, implying simulation of full-length amyloid proteins is not necessary for understanding amyloid formation. In this study we simulate GNNQQNY, the N-terminal prion-determining domain of the yeast protein Sup35 to investigate the thermodynamics of structural transitions during aggregation. We use a coarse-grained model with replica-exchange molecular dynamics to investigate the association of 3-, 6-, and 12-chain GNNQQNY systems and we determine the aggregation pathway by studying aggregation states of GN- NQQNY. We find that the aggregation of the hydrophilic GNNQQNY sequence is mainly driven by H-bond formation, leading to the formation of /3-sheets from the very beginning of the assembly process. Condensation (aggregation) and ordering take place simultaneously, which is underpinned by the occurrence of a single heat capacity peak only.

  16. Thermodynamics of Fluid Polyamorphism

    Directory of Open Access Journals (Sweden)

    Mikhail A. Anisimov


    Full Text Available Fluid polyamorphism is the existence of different condensed amorphous states in a single-component fluid. It is either found or predicted, usually at extreme conditions, for a broad group of very different substances, including helium, carbon, silicon, phosphorous, sulfur, tellurium, cerium, hydrogen, and tin tetraiodide. This phenomenon is also hypothesized for metastable and deeply supercooled water, presumably located a few degrees below the experimental limit of homogeneous ice formation. We present a generic phenomenological approach to describe polyamorphism in a single-component fluid, which is completely independent of the molecular origin of the phenomenon. We show that fluid polyamorphism may occur either in the presence or in the absence of fluid phase separation depending on the symmetry of the order parameter. In the latter case, it is associated with a second-order transition, such as in liquid helium or liquid sulfur. To specify the phenomenology, we consider a fluid with thermodynamic equilibrium between two distinct interconvertible states or molecular structures. A fundamental signature of this concept is the identification of the equilibrium fraction of molecules involved in each of these alternative states. However, the existence of the alternative structures may result in polyamorphic fluid phase separation only if mixing of these structures is not ideal. The two-state thermodynamics unifies all the debated scenarios of fluid polyamorphism in different areas of condensed-matter physics, with or without phase separation, and even goes beyond the phenomenon of polyamorphism by generically describing the anomalous properties of fluids exhibiting interconversion of alternative molecular states.

  17. Life, hierarchy, and the thermodynamic machinery of planet Earth. (United States)

    Kleidon, Axel


    Throughout Earth's history, life has increased greatly in abundance, complexity, and diversity. At the same time, it has substantially altered the Earth's environment, evolving some of its variables to states further and further away from thermodynamic equilibrium. For instance, concentrations in atmospheric oxygen have increased throughout Earth's history, resulting in an increased chemical disequilibrium in the atmosphere as well as an increased redox gradient between the atmosphere and the Earth's reducing crust. These trends seem to contradict the second law of thermodynamics, which states for isolated systems that gradients and free energy are dissipated over time, resulting in a state of thermodynamic equilibrium. This seeming contradiction is resolved by considering planet Earth as a coupled, hierarchical and evolving non-equilibrium thermodynamic system that has been substantially altered by the input of free energy generated by photosynthetic life. Here, I present this hierarchical thermodynamic theory of the Earth system. I first present simple considerations to show that thermodynamic variables are driven away from a state of thermodynamic equilibrium by the transfer of power from some other process and that the resulting state of disequilibrium reflects the past net work done on the variable. This is applied to the processes of planet Earth to characterize the generation and transfer of free energy and its dissipation, from radiative gradients to temperature and chemical potential gradients that result in chemical, kinetic, and potential free energy and associated dynamics of the climate system and geochemical cycles. The maximization of power transfer among the processes within this hierarchy yields thermodynamic efficiencies much lower than the Carnot efficiency of equilibrium thermodynamics and is closely related to the proposed principle of Maximum Entropy Production (MEP). The role of life is then discussed as a photochemical process that generates

  18. Heavy atom vibrational modes and low-energy vibrational autodetachment in nitromethane anions

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, Michael C.; Weber, J. Mathias, E-mail: [JILA, University of Colorado at Boulder, 440 UCB, Boulder, Colorado 80309-0440 (United States); Department of Chemistry and Biochemistry, University of Colorado at Boulder, 215UCB, Boulder, Colorado 80309-0215 (United States); Baraban, Joshua H. [Department of Chemistry and Biochemistry, University of Colorado at Boulder, 215UCB, Boulder, Colorado 80309-0215 (United States); Matthews, Devin A. [Institute for Computational Engineering and Science, University of Texas at Austin, 201 E. 24th St., Austin, Texas 78712 (United States); Stanton, John F. [Department of Chemistry and Biochemistry, University of Texas at Austin, 1 University Station A5300, Austin, Texas 78712-0165 (United States)


    We report infrared spectra of nitromethane anion, CH{sub 3}NO{sub 2}{sup −}, in the region 700–2150 cm{sup −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.

  19. Acoustical coupling of lizard eardrums

    DEFF Research Database (Denmark)

    Christensen-Dalsgaard, Jakob; Manley, Geoffrey A


    Lizard ears are clear examples of two-input pressure-difference receivers, with up to 40-dB differences in eardrum vibration amplitude in response to ipsi- and contralateral stimulus directions. The directionality is created by acoustical coupling of the eardrums and interaction of the direct and...

  20. Thermodynamic Constraints Improve Metabolic Networks. (United States)

    Krumholz, Elias W; Libourel, Igor G L


    In pursuit of establishing a realistic metabolic phenotypic space, the reversibility of reactions is thermodynamically constrained in modern metabolic networks. The reversibility constraints follow from heuristic thermodynamic poise approximations that take anticipated cellular metabolite concentration ranges into account. Because constraints reduce the feasible space, draft metabolic network reconstructions may need more extensive reconciliation, and a larger number of genes may become essential. Notwithstanding ubiquitous application, the effect of reversibility constraints on the predictive capabilities of metabolic networks has not been investigated in detail. Instead, work has focused on the implementation and validation of the thermodynamic poise calculation itself. With the advance of fast linear programming-based network reconciliation, the effects of reversibility constraints on network reconciliation and gene essentiality predictions have become feasible and are the subject of this study. Networks with thermodynamically informed reversibility constraints outperformed gene essentiality predictions compared to networks that were constrained with randomly shuffled constraints. Unconstrained networks predicted gene essentiality as accurately as thermodynamically constrained networks, but predicted substantially fewer essential genes. Networks that were reconciled with sequence similarity data and strongly enforced reversibility constraints outperformed all other networks. We conclude that metabolic network analysis confirmed the validity of the thermodynamic constraints, and that thermodynamic poise information is actionable during network reconciliation. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  1. Electronic and Vibrational Coherences in Algal Light-Harvesting Proteins

    Directory of Open Access Journals (Sweden)

    Scholes Gregory D.


    Full Text Available We present broadband two-dimensional electronic spectra of a lightharvesting protein from photosynthetic algae. Analysis of the spectra show that the amplitude of the main cross peak oscillates as a function of the waiting time period. Both electronic coupling and intramolecular vibrational modes, and their mixture, can lead to such oscillations. Using predictions based on models of four-level systems, we describe ways to distinguish electronic from vibrational contributions to the coherence and find that both types of coupling contribute to the measured dynamics.

  2. Understanding Mn-Based Intercalation Cathodes from Thermodynamics and Kinetics

    Directory of Open Access Journals (Sweden)

    Yin Xie


    Full Text Available A series of Mn-based intercalation compounds have been applied as the cathode materials of Li-ion batteries, such as LiMn2O4, LiNi1−x−yCoxMnyO2, etc. With open structures, intercalation compounds exhibit a wide variety of thermodynamic and kinetic properties depending on their crystal structures, host chemistries, etc. Understanding these materials from thermodynamic and kinetic points of view can facilitate the exploration of cathodes with better electrochemical performances. This article reviews the current available thermodynamic and kinetic knowledge on Mn-based intercalation compounds, including the thermal stability, structural intrinsic features, involved redox couples, phase transformations as well as the electrical and ionic conductivity.

  3. Vibration-reducing gloves: transmissibility at the palm of the hand in three orthogonal directions (United States)

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


    Vibration-reducing (VR) gloves are commonly used as a means to help control exposures to hand-transmitted vibrations generated by powered hand tools. The objective of this study was to characterise the vibration transmissibility spectra and frequency-weighted vibration transmissibility of VR gloves at the palm of the hand in three orthogonal directions. Seven adult males participated in the evaluation of seven glove models using a three-dimensional hand–arm vibration test system. Three levels of hand coupling force were applied in the experiment. This study found that, in general, VR gloves are most effective at reducing vibrations transmitted to the palm along the forearm direction. Gloves that are found to be superior at reducing vibrations in the forearm direction may not be more effective in the other directions when compared with other VR gloves. This casts doubts on the validity of the standardised glove screening test. Practitioner Summary This study used human subjects to measure three-dimensional vibration transmissibility of vibration-reducing gloves at the palm and identified their vibration attenuation characteristics. This study found the gloves to be most effective at reducing vibrations along the forearm direction. These gloves did not effectively attenuate vibration along the handle axial direction. PMID:24160755

  4. Thermodynamic Metrics and Optimal Paths

    Energy Technology Data Exchange (ETDEWEB)

    Sivak, David; Crooks, Gavin


    A fundamental problem in modern thermodynamics is how a molecular-scale machine performs useful work, while operating away from thermal equilibrium without excessive dissipation. To this end, we derive a friction tensor that induces a Riemannian manifold on the space of thermodynamic states. Within the linear-response regime, this metric structure controls the dissipation of finite-time transformations, and bestows optimal protocols with many useful properties. We discuss the connection to the existing thermodynamic length formalism, and demonstrate the utility of this metric by solving for optimal control parameter protocols in a simple nonequilibrium model.

  5. Statistical Thermodynamics of Disperse Systems

    DEFF Research Database (Denmark)

    Shapiro, Alexander


    Principles of statistical physics are applied for the description of thermodynamic equilibrium in disperse systems. The cells of disperse systems are shown to possess a number of non-standard thermodynamic parameters. A random distribution of these parameters in the system is determined....... On the basis of this distribution, it is established that the disperse system has an additional degree of freedom called the macro-entropy. A large set of bounded ideal disperse systems allows exact evaluation of thermodynamic characteristics. The theory developed is applied to the description of equilibrium...

  6. The Thermodynamic Properties of Cubanite (United States)

    Berger, E. L.; Lauretta, D. S.; Keller, L. P.


    CuFe2S3 exists in two polymorphs, a low-temperature orthorhombic form (cubanite) and a high-temperature cubic form (isocubanite). Cubanite has been identified in the CI-chondrite and Stardust collections. However, the thermodynamic properties of cubanite have neither been measured nor estimated. Our derivation of a thermodynamic model for cubanite allows constraints to be placed on the formation conditions. This data, along with the temperature constraint afforded by the crystal structure, can be used to assess the environments in which cubanite formation is (or is not) thermodynamically favored.

  7. Emitted vibration measurement device and method (United States)

    Gisler, G. L.


    This invention is directed to a method and apparatus for measuring emitted vibrational forces produced by a reaction wheel assembly due to imbalances, misalignment, bearing defects and the like. The apparatus includes a low mass carriage supported on a large mass base. The carriage is in the form of an octagonal frame having an opening which is adapted for receiving the reaction wheel assembly supported thereon by means of a mounting ring. The carriage is supported on the base by means of air bearings which support the carriage in a generally frictionless manner when supplied with compressed air from a source. A plurality of carriage brackets and a plurality of base blocks provided for physical coupling of the base and carriage. The sensing axes of the load cells are arranged generally parallel to the base and connected between the base and carriage such that all of the vibrational forces emitted by the reaction wheel assembly are effectively transmitted through the sensing axes of the load cells. In this manner, a highly reliable and accurate measurment of the vibrational forces of the reaction wheel assembly can be had. The output signals from the load cells are subjected to a dynamical analyzer which analyzes and identifies the rotor and spin bearing components which are causing the vibrational forces.

  8. Smart paint sensor for monitoring structural vibrations (United States)

    Al-Saffar, Y.; Aldraihem, O.; Baz, A.


    A class of smart paint sensors is proposed for monitoring the structural vibration of beams. The sensor is manufactured from an epoxy resin which is mixed with carbon black nano-particles to make it electrically conducting and sensitive to mechanical vibrations. A comprehensive theoretical and experimental investigation is presented to understand the underlying phenomena governing the operation of this class of paint sensors and evaluate its performance characteristics. A theoretical model is presented to model the electromechanical behavior of the sensor system using molecular theory. The model is integrated with an amplifier circuit in order to predict the current and voltage developed by the paint sensor when subjected to loading. Furthermore, the sensor/amplifier circuit models are coupled with a finite element model of a base beam to which the sensor is bonded. The resulting multi-field model is utilized to predict the behavior of both the sensor and the beam when subjected to a wide variety of vibration excitations. The predictions of the multi-field finite element model are validated experimentally and the behavior of the sensor is evaluated both in the time and the frequency domains. The performance of the sensor is compared with the performance of conventional strain gages to emphasize its potential and merits. The presented techniques are currently being extended to sensors that can monitor the vibration and structural power flow of two-dimensional structures.

  9. A Tightly Coupled Non-Equilibrium Magneto-Hydrodynamic Model for Inductively Coupled RF Plasmas (United States)


    Journal Article 3. DATES COVERED (From - To) 12 May 2015 – 06 Oct 2015 4. TITLE AND SUBTITLE A Tightly Coupled Non-Equilibrium Magneto- Hydrodynamic ...development a tightly coupled magneto- hydrodynamic model for Inductively Coupled Radio- Frequency (RF) Plasmas. Non Local Thermodynamic Equilibrium (NLTE... hydrodynamic model for Inductively Coupled RF Plasmas A. Munafò,1, a) S. A. Alfuhaid,1, b) J.-L. Cambier,2, c) and M. Panesi1, d) 1)Department of

  10. Thermodynamical string fragmentation (United States)

    Fischer, Nadine; Sjöstrand, Torbjörn


    The observation of heavy-ion-like behaviour in pp collisions at the LHC suggests that more physics mechanisms are at play than traditionally assumed. The introduction e.g. of quark-gluon plasma or colour rope formation can describe several of the observations, but as of yet there is no established paradigm. In this article we study a few possible modifications to the Pythia event generator, which describes a wealth of data but fails for a number of recent observations. Firstly, we present a new model for generating the transverse momentum of hadrons during the string fragmentation process, inspired by thermodynamics, where heavier hadrons naturally are suppressed in rate but obtain a higher average transverse momentum. Secondly, close-packing of strings is taken into account by making the temperature or string tension environment-dependent. Thirdly, a simple model for hadron rescattering is added. The effect of these modifications is studied, individually and taken together, and compared with data mainly from the LHC. While some improvements can be noted, it turns out to be nontrivial to obtain effects as big as required, and further work is called for.

  11. Association theories for complex thermodynamics

    DEFF Research Database (Denmark)

    Kontogeorgis, Georgios; Rafiqul Gani


    Thermodynamics of complex systems (e.g. with associating molecules, multicomponent mixtures, multiphase equilibria, wide ranges of conditions, estimation of many different properties simultaneously) is a topic of great importance in chemical engineering and for a wide range of industrial...... promising direction for a general and useful for engineering purposes modeling of complex thermodynamics is via the use of association theories e.g. those based on chemical theory (like APACT), or on the lattice theory (like NRHB) or those based on perturbation theory (like SAFT and CPA). The purpose...... applications. While specialized models can handle different cases, even complex ones, with the advent of powerful theories and computers there is the hope that a single or a few models could be suitable for a general modeling of complex thermodynamics. After more than 100 years with active use of thermodynamic...

  12. Experimental approaches to membrane thermodynamics

    DEFF Research Database (Denmark)

    Westh, Peter


    Thermodynamics describes a system on the macroscopic scale, yet it is becoming an important tool for the elucidation of many specific molecular aspects of membrane properties. In this note we discuss this application of thermodynamics, and give a number of examples on how thermodynamic measuremen...... have contributed to the understanding of specific membrane phenomena. We mainly focus on non-specific interactions of bilayers and small molecules (water and solutes) in the surrounding solvent, and the changes in membrane properties they bring about. Differences between thermodynamic...... and stoichiometric (structural) definitions of non-specific binding or partitioning are emphasized, and it is concluded that this distinction is important for weak, but not for strong, interactions....

  13. Spectrophotometric Determination and Thermodynamic Parameters ...

    African Journals Online (AJOL)


    Spectrophotometric Determination and Thermodynamic. Parameters of Charge Transfer Complexation Between. Stavudine and Chloranilic Acid. Wilfred O Obonga, Edwin O Omeje*, Philip F Uzor and Malachy O Ugwu. Department of Pharmaceutical and Medicinal Chemistry, Faculty of Pharmaceutical Sciences, University ...

  14. Shock Thermodynamic Applied Research Facility (United States)

    Federal Laboratory Consortium — The Shock Thermodynamic Applied Research Facility (STAR) facility, within Sandia’s Solid Dynamic Physics Department, is one of a few institutions in the world with a...

  15. Vibrational spectroscopy of resveratrol (United States)

    Billes, Ferenc; Mohammed-Ziegler, Ildikó; Mikosch, Hans; Tyihák, Ernő


    In this article the authors deal with the experimental and theoretical interpretation of the vibrational spectra of trans-resveratrol (3,5,4'-trihydroxy- trans-stilbene) of diverse beneficial biological activity. Infrared and Raman spectra of the compound were recorded; density functional calculations were carried out resulting in the optimized geometry and several properties of the molecule. Based on the calculated force constants, a normal coordinate analysis yielded the character of the vibrational modes and the assignment of the measured spectral bands.

  16. Bumblebee vibration activated foraging


    Su, Dan Kuan-Nien


    The ability use vibrational signals to activate nestmate foraging is found in the highly social bees, stingless bees and honey bees, and has been hypothesized to exist in the closely related, primitively eusocial bumble bees. We provide the first strong and direct evidence that this is correct. Inside the nest, bumble bee foragers produce brief bursts of vibration (foraging activation pulses) at 594.5 Hz for 63±26 ms (velocityRMS=0.46±0.02mm/s, forceRMS=0.8±0.2 mN. Production of these vibrati...

  17. Man-Induced Vibrations

    DEFF Research Database (Denmark)

    Jönsson, Jeppe; Hansen, Lars Pilegaard


    concerned with spectator-induced vertical vibrations on grandstands. The idea is to use impulse response analysis and base the load description on the load impulse. If the method is feasable, it could be used in connection with the formulation of requirements in building codes. During the last two decades...... work has been done on the measurement of the exact load functions and related reponse analysis. A recent work using a spectral description has been performed by Per-Erik Erikson and includes a good literature survey. Bachmann and Ammann give a good overview of vibrations caused by human activity. Other...

  18. Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer (United States)

    Peters, William K.; Tiwari, Vivek; Jonas, David M.


    The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between

  19. The use of analytical sedimentation velocity to extract thermodynamic linkage (United States)

    Cole, James L.; Correia, John J.; Stafford, Walter F.


    For 25 years, the Gibbs Conference on Biothermodynamics has focused on the use of thermodynamics to extract information about the mechanism and regulation of biological processes. This includes the determination of equilibrium constants for macromolecular interactions by high precision physical measurements. These approaches further reveal thermodynamic linkages to ligand binding events. Analytical ultracentrifugation has been a fundamental technique in the determination of macromolecular reaction stoichiometry and energetics for 85 years. This approach is highly amenable to the extraction of thermodynamic couplings to small molecule binding in the overall reaction pathway. In the 1980’s this approach was extended to the use of sedimentation velocity techniques, primarily by the analysis of tubulin-drug interactions by Na and Timasheff. This transport method necessarily incorporates the complexity of both hydrodynamic and thermodynamic nonideality. The advent of modern computational methods in the last 20 years has subsequently made the analysis of sedimentation velocity data for interacting systems more robust and rigorous. Here we review three examples where sedimentation velocity has been useful at extracting thermodynamic information about reaction stoichiometry and energetics. Approaches to extract linkage to small molecule binding and the influence of hydrodynamic nonideality are emphasized. These methods are shown to also apply to the collection of fluorescence data with the new Aviv FDS. PMID:21703752

  20. Development of a semi-active dynamic vibration absorber for longitudinal vibration of propulsion shaft system based on magnetorheological elastomer (United States)

    Liu, Gaoyu; Lu, Kun; Zou, Donglin; Xie, Zhongliang; Rao, Zhushi; Ta, Na


    The control of the longitudinal pulsating force and the vibration generated is very important to improve the stealth performance of a submarine. Magnetorheological elastomer (MRE) is a kind of intelligent composite material, whose mechanical properties can be continuously, rapidly and reversibly controlled by an external magnetic field. It can be used as variable-stiffness components in the design of a semi-active dynamic vibration absorber (SDVA), which is one of the effective means of longitudinal vibration control. In this paper, an SDVA is designed based on the MRE’s magnetic-induced variable stiffness characteristic. Firstly, a mechanical model of the propulsion shaft system with the SDVA is proposed, theoretically discussed and numerically validated. Then, the mechanical performance of the MRE under different magnetic fields is tested. In addition, the magnetic circuit and the overall structure of the SDVA are designed. Furthermore, electromagnetic and thermodynamic simulations are carried out to guarantee the structural design. The frequency shift property of the SDVA is found through dynamic simulations and validated by a frequency shift experiment. Lastly, the vibration absorption capacity of the SDVA is investigated. The results show that the magnetorheological effect of the MRE and the frequency shift of the SDVA are obvious; the SDVA has relatively acceptable vibration absorption capacity.

  1. Thermodynamics from concepts to applications

    CERN Document Server

    Shavit, Arthur


    The book presents a logical methodology for solving problems in the context of conservation laws and property tables or equations. The authors elucidate the terms around which thermodynamics has historically developed, such as work, heat, temperature, energy, and entropy. Using a pedagogical approach that builds from basic principles to laws and eventually corollaries of the laws, the text enables students to think in clear and correct thermodynamic terms as well as solve real engineering problems.

  2. Thermodynamics of Asymptotically Conical Geometries. (United States)

    Cvetič, Mirjam; Gibbons, Gary W; Saleem, Zain H


    We study the thermodynamical properties of a class of asymptotically conical geometries known as "subtracted geometries." We derive the mass and angular momentum from the regulated Komar integral and the Hawking-Horowitz prescription and show that they are equivalent. By deriving the asymptotic charges, we show that the Smarr formula and the first law of thermodynamics hold. We also propose an analog of Christodulou-Ruffini inequality. The analysis can be generalized to other asymptotically conical geometries.

  3. THERRP: a thermodynamic properties program

    Energy Technology Data Exchange (ETDEWEB)

    Deeds, R.S.


    The computer program THERPP, a program that calculates the thermodynamic properties of light hydrocarbons and mixtures of light hydrocarbons is documented. A specific pressure--temperature or pressure--enthalpy grid is input to obtain properties in the desired region. THERPP is a modification of the program HSGC. Thermodynamic properties are calculated using Starling's modification to the Benedict-Webb-Rubin equation of state.

  4. Thermodynamics of nonsingular bouncing universes

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira, Pedro C. [Universidade Federal do Rio Grande do Norte, Escola de Ciencias e Tecnologia, Natal, Rio Grande do Norte (Brazil); Pavon, Diego [Universidad Autonoma de Barcelona, Departamento de Fisica, Bellaterra, Barcelona (Spain)


    Homogeneous and isotropic, nonsingular, bouncing world models are designed to evade the initial singularity at the beginning of the cosmic expansion. Here, we study the thermodynamics of the subset of these models governed by general relativity. Considering the entropy of matter and radiation and considering the entropy of the apparent horizon to be proportional to its area, we argue that these models do not respect the generalized second law of thermodynamics, also away from the bounce. (orig.)

  5. Generalization of Gibbs Entropy and Thermodynamic Relation


    Park, Jun Chul


    In this paper, we extend Gibbs's approach of quasi-equilibrium thermodynamic processes, and calculate the microscopic expression of entropy for general non-equilibrium thermodynamic processes. Also, we analyze the formal structure of thermodynamic relation in non-equilibrium thermodynamic processes.

  6. Fatigue failure in metal bellows due to flow-induced vibrations (United States)

    Daniels, C. M.; Fargo, C. G.


    To prevent fatigue due to flow-induced vibrations in metal bellows connected to ducts carrying liquid hydrogen, a study was made which shows that the flexure lines are in general a function of the vibration coupling between the fluid and bellows structure, and the nature of the external environment.

  7. Vibration properties of and power harvested by a system of electromagnetic vibration energy harvesters that have electrical dynamics (United States)

    Cooley, Christopher G.


    This study investigates the vibration and dynamic response of a system of coupled electromagnetic vibration energy harvesting devices that each consist of a proof mass, elastic structure, electromagnetic generator, and energy harvesting circuit with inductance, resistance, and capacitance. The governing equations for the coupled electromechanical system are derived using Newtonian mechanics and Kirchhoff circuit laws for an arbitrary number of these subsystems. The equations are cast in matrix operator form to expose the device's vibration properties. The device's complex-valued eigenvalues and eigenvectors are related to physical characteristics of its vibration. Because the electrical circuit has dynamics, these devices have more natural frequencies than typical electromagnetic vibration energy harvesters that have purely resistive circuits. Closed-form expressions for the steady state dynamic response and average power harvested are derived for devices with a single subsystem. Example numerical results for single and double subsystem devices show that the natural frequencies and vibration modes obtained from the eigenvalue problem agree with the resonance locations and response amplitudes obtained independently from forced response calculations. This agreement demonstrates the usefulness of solving eigenvalue problems for these devices. The average power harvested by the device differs substantially at each resonance. Devices with multiple subsystems have multiple modes where large amounts of power are harvested.

  8. Near-threshold vibrational excitation of acetylene by positron impact (United States)

    de Oliveira, Eliane M.; Lima, Marco A. P.; Sanchez, Sergio D.'A.; Varella, Márcio T. Do N.


    We report vibrational excitation cross sections for C-C and C-H symmetric stretch modes of acetylene by positron impact. The contribution of these infrared inactive modes to the annihilation parameter is also addressed. The Feshbach projection operator approach was employed to vibrationally resolve e+-acetylene scattering phase shifts obtained with the Schwinger multichannel method. The present results point out a virtual state pole at the equilibrium geometry of acetylene that becomes a bound state as either bond is stretched, in qualitative agreement with previous calculations for small hydrocarbons. The vibrational couplings are stronger for the C-C mode, giving rise to a bound state pole within the Franck-Condon region of the vibrational ground state. These bound and virtual states give rise to sharp threshold structures (vibrational resonances) in both the vibrational excitation cross sections and the annihilation parameter (Zeff). We found fair agreement between the present calculations and previously reported e+-acetylene vibrational excitation cross sections.

  9. A Novel Wireless and Temperature-Compensated SAW Vibration Sensor

    Directory of Open Access Journals (Sweden)

    Wen Wang


    Full Text Available A novel wireless and passive surface acoustic wave (SAW based temperature-compensated vibration sensor utilizing a flexible Y-cut quartz cantilever beam with a relatively substantial proof mass and two one-port resonators is developed. One resonator acts as the sensing device adjacent to the clamped end for maximum strain sensitivity, and the other one is used as the reference located on clamped end for temperature compensation for vibration sensor through the differential approach. Vibration directed to the proof mass flex the cantilever, inducing relative changes in the acoustic propagation characteristics of the SAW travelling along the sensing device, and generated output signal varies in frequency as a function of vibration.  A theoretical mode using the Rayleigh method was established to determine the optimal dimensions of the cantilever beam. Coupling of Modes (COM model was used to extract the optimal design parameters of the SAW devices prior to fabrication. The performance of the developed SAW sensor attached to an antenna towards applied vibration was evaluated wirelessly by using the precise vibration table, programmable incubator chamber, and reader unit.  High vibration sensitivity of ~10.4 kHz/g, good temperature stability, and excellent linearity were observed in the wireless measurements.

  10. Kappa Delta Award. Low back pain and whole body vibration. (United States)

    Pope, M H; Magnusson, M; Wilder, D G


    The investigators describe their multifaceted approach to the study of the relationship between whole body vibration and low back pain. The epidemiologic study was a two center study of drivers and sedentary workers in the United States and Sweden. The vibration exposure was measured in the vehicles. It was found that the career vibration exposure was related to low back, neck, and shoulder pain. However, disability was related to job satisfaction. In vivo experiments, using percutaneous pin mounted accelerometers have shown that the natural frequency is at 4.5 Hz. The frequency response is affected by posture, seating, and seat back inclination. The response appears to be determined largely by the rocking of the pelvis. Electromyographic studies have shown that muscle fatigue occurs under whole body vibration. After whole body vibration exposure the muscle response to a sudden load has greater latency. Vehicle driving may be a reason for low back pain or herniated nucleus pulposus. Prolonged seating exposure, coupled with the whole body vibration, should be reduced for those recovering from these problems. Vibration attenuating seats and correct ergonomic layout of the cabs may reduce the risks of recurrence.

  11. Vibrational Action Spectroscopy of Solids: New Surface-Sensitive Technique (United States)

    Wu, Zongfang; Płucienik, Agata; Feiten, Felix E.; Naschitzki, Matthias; Wachsmann, Walter; Gewinner, Sandy; Schöllkopf, Wieland; Staemmler, Volker; Kuhlenbeck, Helmut; Freund, Hans-Joachim


    Vibrational action spectroscopy employing infrared radiation from a free-electron laser has been successfully used for many years to study the vibrational and structural properties of gas phase aggregates. Despite the high sensitivity of this method no relevant studies have yet been conducted for solid sample surfaces. We have set up an experiment for the application of this method to such targets, using infrared light from the free-electron laser of the Fritz Haber Institute. In this Letter, we present first results of this technique with adsorbed argon and neon atoms as messengers. We were able to detect surface-located vibrations of a thin V2O3(0 0 0 1 ) film on Au(111) as well as adsorbate vibrations, demonstrating that this method is highly surface sensitive. We consider that the dominant channel for desorption of the messenger atoms is direct inharmonic vibrational coupling, which is essentially insensitive to subsurface or bulk vibrations. Another channel is thermal desorption due to sample heating by absorption of infrared light. The high surface sensitivity of the nonthermal channel and its insensitivity to subsurface modes makes this technique an ideal tool for the study of surface-located vibrations.

  12. Nonlinear vibration of edge cracked functionally graded Timoshenko beams (United States)

    Kitipornchai, S.; Ke, L. L.; Yang, J.; Xiang, Y.


    Nonlinear vibration of beams made of functionally graded materials (FGMs) containing an open edge crack is studied in this paper based on Timoshenko beam theory and von Kármán geometric nonlinearity. The cracked section is modeled by a massless elastic rotational spring. It is assumed that material properties follow exponential distributions through beam thickness. The Ritz method is employed to derive the governing eigenvalue equation which is then solved by a direct iterative method to obtain the nonlinear vibration frequencies of cracked FGM beams with different end supports. A detailed parametric study is conducted to study the influences of crack depth, crack location, material property gradient, slenderness ratio, and end supports on the nonlinear free vibration characteristics of cracked FGM beams. It is found that unlike isotropic homogeneous beams, both intact and cracked FGM beams show different vibration behavior at positive and negative amplitudes due to the presence of bending-extension coupling in FGM beams.

  13. Experimental identification of viscous damping in linear vibration (United States)

    Srikantha Phani, A.; Woodhouse, J.


    This paper is concerned with the experimental evaluation of the performance of viscous damping identification methods in linear vibration theory. Both existing and some new methods proposed by the present authors [A.S. Phani, J. Woodhouse, Viscous damping identification in linear vibration, Journal of Sound and Vibration 303 (3-5) (2007) 475-500] are applied to experimental data measured on two test structures: a coupled three cantilever beam with moderate modal overlap and a free-free beam with low modal overlap. The performance of each method is quantified and compared based on three norms and the best methods are identified. The role of complex modes in damping identification from vibration measurements is critically assessed.

  14. Thermodynamics of firms' growth (United States)

    Zambrano, Eduardo; Hernando, Alberto; Hernando, Ricardo; Plastino, Angelo


    The distribution of firms' growth and firms' sizes is a topic under intense scrutiny. In this paper, we show that a thermodynamic model based on the maximum entropy principle, with dynamical prior information, can be constructed that adequately describes the dynamics and distribution of firms' growth. Our theoretical framework is tested against a comprehensive database of Spanish firms, which covers, to a very large extent, Spain's economic activity, with a total of 1 155 142 firms evolving along a full decade. We show that the empirical exponent of Pareto's law, a rule often observed in the rank distribution of large-size firms, is explained by the capacity of economic system for creating/destroying firms, and that can be used to measure the health of a capitalist-based economy. Indeed, our model predicts that when the exponent is larger than 1, creation of firms is favoured; when it is smaller than 1, destruction of firms is favoured instead; and when it equals 1 (matching Zipf's law), the system is in a full macroeconomic equilibrium, entailing ‘free’ creation and/or destruction of firms. For medium and smaller firm sizes, the dynamical regime changes, the whole distribution can no longer be fitted to a single simple analytical form and numerical prediction is required. Our model constitutes the basis for a full predictive framework regarding the economic evolution of an ensemble of firms. Such a structure can be potentially used to develop simulations and test hypothetical scenarios, such as economic crisis or the response to specific policy measures. PMID:26510828


    Energy Technology Data Exchange (ETDEWEB)

    Turchi, P; Abrikosov, I; Burton, B; Fries, S; Grimvall, G; Kaufman, L; Korzhavyi, P; Manga, R; Ohno, M; Pisch, A; Scott, A; Zhang, W


    The increased application of quantum mechanical-based methodologies to the study of alloy stability has required a re-assessment of the field. The focus is mainly on inorganic materials in the solid state. In a first part, after a brief overview of the so-called ab initio methods with their approximations, constraints, and limitations, recommendations are made for a good usage of first-principles codes with a set of qualifiers. Examples are given to illustrate the power and the limitations of ab initio codes. However, despite the ''success'' of these methodologies, thermodynamics of complex multi-component alloys, as used in engineering applications, requires a more versatile approach presently afforded within CALPHAD. Hence, in a second part, the links that presently exist between ab initio methodologies, experiments, and CALPHAD approach are examined with illustrations. Finally, the issues of dynamical instability and of the role of lattice vibrations that still constitute the subject of ample discussions within the CALPHAD community are revisited in the light of the current knowledge with a set of recommendations.

  16. Composite Struts Would Damp Vibrations (United States)

    Dolgin, Benjamin P.


    New design of composite-material (fiber/matrix laminate) struts increases damping of longitudinal vibrations without decreasing longitudinal stiffness or increasing weight significantly. Plies with opposing chevron patterns of fibers convert longitudinal vibrational stresses into shear stresses in intermediate viscoelastic layer, which dissipate vibrational energy. Composite strut stronger than aluminum strut of same weight and stiffness.

  17. Condensation: Passenger Not Driver in Atmospheric Thermodynamics


    Jack Denur


    The second law of thermodynamics states that processes yielding work or at least capable of yielding work are thermodynamically spontaneous, and that those costing work are thermodynamically nonspontaneous. Whether a process yields or costs heat is irrelevant. Condensation of water vapor yields work and hence is thermodynamically spontaneous only in a supersaturated atmosphere; in an unsaturated atmosphere it costs work and hence is thermodynamically nonspontaneous. Far more of Earth’s atmosp...

  18. Ship Vibration Design Guide (United States)


    Frachtschiffen," Werft Reederie Hafen, 1925. 4-21 Noonan, E. F. "Vibration Considerations for 120,000 CM LNG Ships," NKF: Preliminary Report No. 7107, 25...Ship Response to Ice - A Second Season by C. Daley, J. W. St. John, R. Brown, J. Meyer , and I. Glen 1990 SSC-340 Ice Forces and Ship Response to Ice

  19. Vibrations and Eigenvalues

    Indian Academy of Sciences (India)

    The vibrating string problem is the source of much mathematicsand physics. This article describes Lagrange's formulationof a discretised version of the problem and its solution.This is also the first instance of an eigenvalue problem. Author Affiliations. Rajendra Bhatia1. Ashoka University, Rai, Haryana 131 029, India.

  20. Vibration Sensitive Keystroke Analysis

    NARCIS (Netherlands)

    Lopatka, M.; Peetz, M.-H.; van Erp, M.; Stehouwer, H.; van Zaanen, M.


    We present a novel method for performing non-invasive biometric analysis on habitual keystroke patterns using a vibration-based feature space. With the increasing availability of 3-D accelerometer chips in laptop computers, conventional methods using time vectors may be augmented using a distinct

  1. Consideration of grip and push forces for the assessment of vibration exposure. (United States)

    Riedel, S


    There is much influence of the coupling forces between hand and grip of the vibrating tool on the measuring results as well as on the vibration effects on the hand-arm system. In a research project the effects of grip and push forces on acute responses of the hand-arm system under vibration conditions have been studied. Using these results of the biodynamic response, vibration perception threshold and subjective vibration sensation a bonus/malus system for a correction of the measured frequency-weighted r.m.s. acceleration was drafted, to assess the hand-arm vibration at the workplace: Since there is no difference between the acute effects of grip force and push force, so the forces have to be added and defined as coupling force Fcf. On the basis of this coupling force Fcf a correcting factor cF may be calculated. The factor amounts to 0.6 at Fcf = 20 N, 1.0 at Fcf = 120 N and 1.1 at Fcf = 200 N. To correct the measured weighted r.m.s. acceleration ahwz (Fcf) depending on coupling forces the r.m.s. acceleration has to be multiplied with the correcting factor cF. The drafted procedure enables to assess vibration exposure depending on coupling forces in a standardized way.

  2. Thermodynamics of the topological Kondo model

    Energy Technology Data Exchange (ETDEWEB)

    Buccheri, Francesco, E-mail: [International Institute of Physics, Universidade Federal do Rio Grande do Norte, 59078-400 Natal, RN (Brazil); Babujian, Hrachya [International Institute of Physics, Universidade Federal do Rio Grande do Norte, 59078-400 Natal, RN (Brazil); Yerevan Physics Institute, Alikhanian Brothers 2, Yerevan, 375036 (Armenia); Korepin, Vladimir E. [International Institute of Physics, Universidade Federal do Rio Grande do Norte, 59078-400 Natal, RN (Brazil); C. N. Yang Institute for Theoretical Physics, Stony Brook University, NY 11794 (United States); Sodano, Pasquale [International Institute of Physics, Universidade Federal do Rio Grande do Norte, 59078-400 Natal, RN (Brazil); Departemento de Fisíca Teorica e Experimental, Universidade Federal do Rio Grande do Norte, 59072-970 Natal, RN (Brazil); Trombettoni, Andrea [CNR-IOM DEMOCRITOS Simulation Center, Via Bonomea 265, I-34136 Trieste (Italy); SISSA and INFN, Sezione di Trieste, Via Bonomea 265, I-34136 Trieste (Italy)


    Using the thermodynamic Bethe ansatz, we investigate the topological Kondo model, which describes a set of one-dimensional external wires, pertinently coupled to a central region hosting a set of Majorana bound states. After a short review of the Bethe ansatz solution, we study the system at finite temperature and derive its free energy for arbitrary (even and odd) number of external wires. We then analyse the ground state energy as a function of the number of external wires and of their couplings to the Majorana bound states. Then, we compute, both for small and large temperatures, the entropy of the Majorana degrees of freedom localized within the central region and connected to the external wires. Our exact computation of the impurity entropy provides evidence of the importance of fermion parity symmetry in the realization of the topological Kondo model. Finally, we also obtain the low-temperature behaviour of the specific heat of the Majorana bound states, which provides a signature of the non-Fermi-liquid nature of the strongly coupled fixed point.

  3. Thermodynamics of the topological Kondo model

    Directory of Open Access Journals (Sweden)

    Francesco Buccheri


    Full Text Available Using the thermodynamic Bethe ansatz, we investigate the topological Kondo model, which describes a set of one-dimensional external wires, pertinently coupled to a central region hosting a set of Majorana bound states. After a short review of the Bethe ansatz solution, we study the system at finite temperature and derive its free energy for arbitrary (even and odd number of external wires. We then analyse the ground state energy as a function of the number of external wires and of their couplings to the Majorana bound states. Then, we compute, both for small and large temperatures, the entropy of the Majorana degrees of freedom localized within the central region and connected to the external wires. Our exact computation of the impurity entropy provides evidence of the importance of fermion parity symmetry in the realization of the topological Kondo model. Finally, we also obtain the low-temperature behaviour of the specific heat of the Majorana bound states, which provides a signature of the non-Fermi-liquid nature of the strongly coupled fixed point.

  4. Effect of horizontal wave barriers on ground vibration propagation. (United States)

    Grau, L; Laulagnet, B


    The aim of this article is to introduce a method to mitigate ground surface vibration through a flexural plate coupled to the ground and acting as a horizontal wave barrier. Using the thin plate hypothesis, two flexural plates are coupled to the ground, the first plate being the excited plate and the second plate the horizontal wave barrier. For instance, the first plate may represent a slab track and be excited by the tramway wheels. A solution to the problem can be found using a spatial two-dimensional Fourier transform of the elastodynamics equation for the ground and a modal decomposition for the flexural plate vibration. The authors show that vibration is substantially mitigated by the horizontal wave barrier and depends on its thickness and width. When the top surface wavelength becomes smaller than twice the plate width, the horizontal wave barrier acts as a wave barrier in the frequency range of interest, i.e., from 20 Hz.

  5. Chemical kinetics, stochastic processes, and irreversible thermodynamics

    CERN Document Server

    Santillán, Moisés


    This book brings theories in nonlinear dynamics, stochastic processes, irreversible thermodynamics, physical chemistry, and biochemistry together in an introductory but formal and comprehensive manner.  Coupled with examples, the theories are developed stepwise, starting with the simplest concepts and building upon them into a more general framework.  Furthermore, each new mathematical derivation is immediately applied to one or more biological systems.  The last chapters focus on applying mathematical and physical techniques to study systems such as: gene regulatory networks and ion channels. The target audience of this book are mainly final year undergraduate and graduate students with a solid mathematical background (physicists, mathematicians, and engineers), as well as with basic notions of biochemistry and cellular biology.  This book can also be useful to students with a biological background who are interested in mathematical modeling, and have a working knowledge of calculus, differential equatio...

  6. Thermodynamic properties of aluminous pyroxenes: results of least squares refinements

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, R.E.


    The thermodynamic properties of binary clinopyroxenes on the joins diopside-jadeite, CaTs-jadeite and diopside-CaTs are determined using phase equilibria and calorimetric data. The random model, in which the entropy is calculated as if atoms mixed randomly on each site, is used as a base along with a formulation for the excess entropy. A non-linear least squares technique is used that allows for errors in each coordinate, has the correct functional form for weighting the data and allows determination of errors in functions calculated from derived thermodynamic parameters. The derived thermodynamic properties differ significantly from those obtained using linear regression. The excess entropy relative to the random model is negatively due to short-range order, but the random model is nevertheless appropriate as a first approximation. The least squares derived mixing entropies for Di-Jd and Di-CaTs are higher than predicted by a generalized pair approximation for short-range order using scaled ordering energies from electrostatic energy calculations. This may be because the scaled ordering energies are too high or because of a positive vibrational excess entropy, but more likely because of metastable disorder in the synthetic pyroxenes or systematic errors in phase equilibria or calorimetric data.

  7. Thermodynamics of weight loss diets

    Directory of Open Access Journals (Sweden)

    Fine Eugene J


    Full Text Available Abstract Background It is commonly held that "a calorie is a calorie", i.e. that diets of equal caloric content will result in identical weight change independent of macronutrient composition, and appeal is frequently made to the laws of thermodynamics. We have previously shown that thermodynamics does not support such a view and that diets of different macronutrient content may be expected to induce different changes in body mass. Low carbohydrate diets in particular have claimed a "metabolic advantage" meaning more weight loss than in isocaloric diets of higher carbohydrate content. In this review, for pedagogic clarity, we reframe the theoretical discussion to directly link thermodynamic inefficiency to weight change. The problem in outline: Is metabolic advantage theoretically possible? If so, what biochemical mechanisms might plausibly explain it? Finally, what experimental evidence exists to determine whether it does or does not occur? Results Reduced thermodynamic efficiency will result in increased weight loss. The laws of thermodynamics are silent on the existence of variable thermodynamic efficiency in metabolic processes. Therefore such variability is permitted and can be related to differences in weight lost. The existence of variable efficiency and metabolic advantage is therefore an empiric question rather than a theoretical one, confirmed by many experimental isocaloric studies, pending a properly performed meta-analysis. Mechanisms are as yet unknown, but plausible mechanisms at the metabolic level are proposed. Conclusions Variable thermodynamic efficiency due to dietary manipulation is permitted by physical laws, is supported by much experimental data, and may be reasonably explained by plausible mechanisms.

  8. On coupling NEC-violating matter to gravity

    Directory of Open Access Journals (Sweden)

    Saugata Chatterjee


    Full Text Available We show that effective theories of matter that classically violate the null energy condition cannot be minimally coupled to Einstein gravity without being inconsistent with both string theory and black hole thermodynamics. We argue however that they could still be either non-minimally coupled or coupled to higher-curvature theories of gravity.

  9. Analysis of radial vibrations of poroelastic circular cylindrical shells ...

    African Journals Online (AJOL)

    DR OKE

    Gazis (1959) discussed the propagation of free harmonic waves along a hollow elastic circular cylinder of infinite extent and solved the frequency equation ... The coefficient Q represents the coupling between the volume change of the ... can readily be evaluated for steady state harmonic vibrations from equations (1) are.

  10. Manipulation of molecular vibrational motions via pure rotational excitations

    DEFF Research Database (Denmark)

    Shu, Chuan-Cun; Henriksen, Niels Engholm


    The coupling between different molecular degrees of freedom plays a decisive role in many quantum phenomena, including electron transfer and energy redistribution. Here, we demonstrate a quantum-mechanical time-dependent simulation to explore how a vibrational motion in a molecule can be affected...

  11. Topological material layout in plates for vibration suppression and wave propagation control

    DEFF Research Database (Denmark)

    Larsen, Anders Astrup; Laksafoss, B.; Jensen, Jakob Søndergaard


    plate theory coupled with analytical sensitivity analysis using the adjoint method and an iterative design update procedure based on a mathematical programming tool. We demonstrate the capability of the method by designing bi-material plates that, when subjected to harmonic excitation, either......We propose a topological material layout method to design elastic plates with optimized properties for vibration suppression and guided transport of vibration energy. The gradient-based optimization algorithm is based on a finite element model of the plate vibrations obtained using the Mindlin...... effectively suppress the overall vibration level or alternatively transport energy in predefined paths in the plates, including the realization of a ring wave device....

  12. Vibration Suppression of an Axially Moving String with Transverse Wind Loadings by a Nonlinear Energy Sink

    Directory of Open Access Journals (Sweden)

    Ye-Wei Zhang


    Full Text Available Nonlinear targeted energy transfer (TET is applied to suppress the excessive vibration of an axially moving string with transverse wind loads. The coupling dynamic equations used are modeled by a nonlinear energy sink (NES attached to the string to absorb vibrational energy. By a two-term Galerkin procedure, the equations are discretized, and the effects of vibration suppression by numerical methods are demonstrated. Results show that the NES can effectively suppress the vibration of the axially moving string with transverse wind loadings, thereby protecting the string from excessive movement.

  13. Nonequilibrium thermodynamics transport and rate processes in physical, chemical and biological systems

    CERN Document Server

    Demirel, Yasar


    Natural phenomena consist of simultaneously occurring transport processes and chemical reactions. These processes may interact with each other and may lead to self-organized structures, fluctuations, instabilities, and evolutionary systems. Nonequilibrium Thermodynamics, 3rd edition emphasizes the unifying role of thermodynamics in analyzing the natural phenomena. This third edition updates and expands on the first and second editions by focusing on the general balance equations for coupled processes of physical, chemical, and biological systems. The new edition contains a new chapte

  14. Non-equilibrium Thermodynamics and the Production of Entropy Life, Earth, and Beyond

    CERN Document Server

    Kleidon, Axel


    The present volume studies the application of concepts from non-equilibrium thermodynamics to a variety of research topics. Emphasis is on the Maximum Entropy Production (MEP) principle and applications to Geosphere-Biosphere couplings. Written by leading researchers form a wide range of background, the book proposed to give a first coherent account of an emerging field at the interface of thermodynamics, geophysics and life sciences.

  15. Animal Communications Through Seismic Vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Hill, Peggy (University of Tulsa)


    Substrate vibration has been important to animals as a channel of communication for millions of years, but our literature on vibration in this context of biologically relevant information is only decades old. The jaw mechanism of the earliest land vertebrates allowed them to perceive substrate vibrations as their heads lay on the ground long before airborne sounds could be heard. Although the exact mechanism of vibration production and the precise nature of the wave produced are not always understood, recent development of affordable instrumentation to detect and measure vibrations has allowed researchers to answer increasingly sophisticated questions about how animals send and receive vibration signals. We now know that vibration provides information used in predator defense, prey detection, recruitment to food, mate choice, intrasexual competition, and maternal/brood social interactions in a variety of insect orders, spiders, crabs, scorpions, chameleons, frogs, golden moles, mole rats, kangaroos rats, wallabies, elephants and bison.

  16. Renormalized Phonon Microstructures at High Temperatures from First-Principles Calculations: Methodologies and Applications in Studying Strong Anharmonic Vibrations of Solids

    Directory of Open Access Journals (Sweden)

    Tian Lan


    Full Text Available While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation, at high temperatures, this understanding must accommodate how phonons interact with other phonons or with other excitations. To date the anharmonic lattice dynamics is poorly understood despite its great importance, and most studies still rely on the quasiharmonic approximations. We shall see that the phonon-phonon interactions give rise to interesting coupling problems and essentially modify the equilibrium and nonequilibrium properties of materials, for example, thermal expansion, thermodynamic stability, heat capacity, optical properties, thermal transport, and other nonlinear properties of materials. The review aims to introduce some recent developements of computational methodologies that are able to efficiently model the strong phonon anharmonicity based on quantum perturbation theory of many-body interactions and first-principles molecular dynamics simulations. The effective potential energy surface of renormalized phonons and structures of the phonon-phonon interaction channels can be derived from these interdependent methods, which provide both macroscopic and microscopic perspectives in analyzing the strong anharmonic phenomena while the traditional harmonic models fail dramatically. These models have been successfully performed in the studies on the temperature-dependent broadenings of Raman and neutron scattering spectra, high temperature phase stability, and negative thermal expansion of rutile and cuprite structures, for example.

  17. Vibration Attenuation of Plate Using Multiple Vibration Absorbers

    Directory of Open Access Journals (Sweden)

    Zaman Izzuddin


    Full Text Available Vibrations are undesired phenomenon and it can cause harm, distress and unsettling influence to the systems or structures, for example, aircraft, automobile, machinery and building. One of the approach to limit this vibration by introducing passive vibration absorber attached to the structure. In this paper, the adequacy of utilizing passive vibration absorbers are investigated. The vibration absorber system is designed to minimize the vibration of a thin plate fixed along edges. The plate’s vibration characteristics, such as, natural frequency and mode shape are determined using three techniques: theoretical equations, finite element (FE analysis and experiment. The results demonstrate that the first four natural frequencies of fixed-fixed ends plate are 48, 121, 193 and 242 Hz, and these results are corroborated well with theoretical, FE simulation and experiment. The experiment work is further carried out with attached single and multiple vibration absorbers onto plate by tuning the absorber’s frequency to match with the excitation frequency. The outcomes depict that multiple vibration absorbers are more viable in lessening the global structural vibration.

  18. Thermodynamic analysis of black hole solutions in gravitating nonlinear electrodynamics (United States)

    Diaz-Alonso, J.; Rubiera-Garcia, D.


    We perform a general study of the thermodynamic properties of static electrically charged black hole solutions of nonlinear electrodynamics minimally coupled to gravitation in three space dimensions. The Lagrangian densities governing the dynamics of these models in flat space are defined as arbitrary functions of the gauge field invariants, constrained by some requirements for physical admissibility. The exhaustive classification of these theories in flat space, in terms of the behaviour of the Lagrangian densities in vacuum and on the boundary of their domain of definition, defines twelve families of admissible models. When these models are coupled to gravity, the flat space classification leads to a complete characterization of the associated sets of gravitating electrostatic spherically symmetric solutions by their central and asymptotic behaviours. We focus on nine of these families, which support asymptotically Schwarzschild-like black hole configurations, for which the thermodynamic analysis is possible and pertinent. In this way, the thermodynamic laws are extended to the sets of black hole solutions of these families, for which the generic behaviours of the relevant state variables are classified and thoroughly analyzed in terms of the aforementioned boundary properties of the Lagrangians. Moreover, we find universal scaling laws (which hold and are the same for all the black hole solutions of models belonging to any of the nine families) running the thermodynamic variables with the electric charge and the horizon radius. These scale transformations form a one-parameter multiplicative group, leading to universal "renormalization group"-like first-order differential equations. The beams of characteristics of these equations generate the full set of black hole states associated to any of these gravitating nonlinear electrodynamics. Moreover the application of the scaling laws allows to find a universal finite relation between the thermodynamic variables

  19. Study on the Vehicle Dynamic Load Considering the Vehicle-Pavement Coupled Effect (United States)

    Xu, H. L.; He, L.; An, D.


    The vibration of vehicle-pavement interaction system is sophisticated random vibration process and the vehicle-pavement coupled effect was not considered in the previous study. A new linear elastic model of the vehicle-pavement coupled system was established in the paper. The new model was verified with field measurement which could reflect the real vibration between vehicle and pavement. Using the new model, the study on the vehicle dynamic load considering the vehicle-pavement coupled effect showed that random forces (centralization) between vehicle and pavement were influenced largely by vehicle-pavement coupled effect. Numerical calculation indicated that the maximum of random forces in coupled model was 2.4 times than that in uncoupled model. Inquiring the reason, it was found that the main vibration frequency of the vehicle non-suspension system was similar with that of the vehicle suspension system in the coupled model and the resonance vibration lead to vehicle dynamic load increase significantly.

  20. Ab initio vibrations in nonequilibrium nanowires

    DEFF Research Database (Denmark)

    Jauho, Antti-Pekka; Engelund, Mads; Markussen, T


    predictions for the thermoelectric properties, while for the atomic gold chains we evaluate microscopically the damping of the vibrations, due to the coupling of the chain atoms to the modes in the bulk contacts. Both approaches are based on the combination of density-functional theory, and nonequilibrium......We review recent results on electronic and thermal transport in two different quasi one-dimensional systems: Silicon nanowires (SiNW) and atomic gold chains. For SiNW's we compute the ballistic electronic and thermal transport properties on equal footing, allowing us to make quantitative...