Systematic vibration thermodynamic properties of bromine
Liu, G. Y.; Sun, W. G.; Liao, B. T.
2015-11-01
Based on the analysis of the maturity and finiteness of vibrational levels of bromine molecule in ground state and evaluating the effect on statistical computation, according to the elementary principles of quantum statistical theorem, using the full set of bromine molecular vibrational levels determined with algebra method, the statistical contribution for bromine systematical macroscopic thermodynamic properties is discussed. Thermodynamic state functions Helmholtz free energy, entropy and observable vibration heat capacity are calculated. The results show that the determination of full set of vibrational levels and maximum vibrational quantum number is the key in the correct statistical analysis of bromine systematical thermodynamic property. Algebra method results are clearly different from data of simple harmonic oscillator and the related algebra method results are no longer analytical but numerical and are superior to simple harmonic oscillator results. Compared with simple harmonic oscillator's heat capacities, the algebra method's heat capacities are more consistent with the experimental data in the given temperature range of 600-2100 K.
Heterogeneous Dynamics of Coupled Vibrations
Cringus, Dan; Jansen, Thomas I. C.; Pshenichnikov, Maxim S.; Schoenlein, RW; Corkum, P; DeSilvestri, S; Nelson, KA; Riedle, E
2009-01-01
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.
Quantum Thermodynamics at Strong Coupling: Operator Thermodynamic Functions and Relations
Directory of Open Access Journals (Sweden)
Jen-Tsung Hsiang
2018-05-01
Full Text Available Identifying or constructing a fine-grained microscopic theory that will emerge under specific conditions to a known macroscopic theory is always a formidable challenge. Thermodynamics is perhaps one of the most powerful theories and best understood examples of emergence in physical sciences, which can be used for understanding the characteristics and mechanisms of emergent processes, both in terms of emergent structures and the emergent laws governing the effective or collective variables. Viewing quantum mechanics as an emergent theory requires a better understanding of all this. In this work we aim at a very modest goal, not quantum mechanics as thermodynamics, not yet, but the thermodynamics of quantum systems, or quantum thermodynamics. We will show why even with this minimal demand, there are many new issues which need be addressed and new rules formulated. The thermodynamics of small quantum many-body systems strongly coupled to a heat bath at low temperatures with non-Markovian behavior contains elements, such as quantum coherence, correlations, entanglement and fluctuations, that are not well recognized in traditional thermodynamics, built on large systems vanishingly weakly coupled to a non-dynamical reservoir. For quantum thermodynamics at strong coupling, one needs to reexamine the meaning of the thermodynamic functions, the viability of the thermodynamic relations and the validity of the thermodynamic laws anew. After a brief motivation, this paper starts with a short overview of the quantum formulation based on Gelin & Thoss and Seifert. We then provide a quantum formulation of Jarzynski’s two representations. We show how to construct the operator thermodynamic potentials, the expectation values of which provide the familiar thermodynamic variables. Constructing the operator thermodynamic functions and verifying or modifying their relations is a necessary first step in the establishment of a viable thermodynamics theory for
Dissimilar Dynamics of Coupled Water Vibrations
Jansen, Thomas L. C.; Cringus, Dan; Pshenichnikov, Maxim S.
2009-01-01
Dissimilar dynamics of coupled stretch vibrations of a water molecule are revealed by two-dimensional, IR correlation spectroscopy. These are caused by essentially non-Gaussian fluctuations of the electric field exerted by the environment on the individual OH stretch vibrations. Non-Gaussian
A Miniature Coupled Bistable Vibration Energy Harvester
International Nuclear Information System (INIS)
Zhu, D; Arthur, D C; Beeby, S P
2014-01-01
This paper reports the design and test of a miniature coupled bistable vibration energy harvester. Operation of a bistable structure largely depends on vibration amplitude rather than frequency, which makes it very promising for wideband vibration energy harvesting applications. A coupled bistable structure consists of a pair of mobile magnets that create two potential wells and thus the bistable phenomenon. It requires lower excitation to trigger bistable operation compared to conventional bistable structures. Based on previous research, this work focused on miniaturisation of the coupled bistable structure for energy harvesting application. The proposed bistable energy harvester is a combination of a Duffing's nonlinear structure and a linear assisting resonator. Experimental results show that the output spectrum of the miniature coupled bistable vibration energy harvester was the superposition of several spectra. It had a higher maximum output power and a much greater bandwidth compared to simply the Duffing's structure without the assisting resonator
Thermodynamics of a model solid with magnetoelastic coupling
Szałowski, K.; Balcerzak, T.; Jaščur, M.
2018-01-01
In the paper a study of a model magnetoelastic solid system is presented. The system of interest is a mean-field magnet with nearest-neighbour ferromagnetic interactions and the underlying s.c. crystalline lattice with the long-range Morse interatomic potential and the anharmonic Debye model for the lattice vibrations. The influence of the external magnetic field on the thermodynamics is investigated, with special emphasis put on the consequences of the magnetoelastic coupling, introduced by the power-law distance dependence of the magnetic exchange integral. Within the fully self-consistent, Gibbs energy-based formalism such thermodynamic quantities as the entropy, the specific heat as well as the lattice and magnetic response functions are calculated and discussed. To complete the picture, the magnetocaloric effect is characterized by analysis of the isothermal entropy change and the adiabatic temperature change in the presence of the external pressure.
Strong Coupling Corrections in Quantum Thermodynamics
Perarnau-Llobet, M.; Wilming, H.; Riera, A.; Gallego, R.; Eisert, J.
2018-03-01
Quantum systems strongly coupled to many-body systems equilibrate to the reduced state of a global thermal state, deviating from the local thermal state of the system as it occurs in the weak-coupling limit. Taking this insight as a starting point, we study the thermodynamics of systems strongly coupled to thermal baths. First, we provide strong-coupling corrections to the second law applicable to general systems in three of its different readings: As a statement of maximal extractable work, on heat dissipation, and bound to the Carnot efficiency. These corrections become relevant for small quantum systems and vanish in first order in the interaction strength. We then move to the question of power of heat engines, obtaining a bound on the power enhancement due to strong coupling. Our results are exemplified on the paradigmatic non-Markovian quantum Brownian motion.
Thermodynamic model of a solid with RKKY interaction and magnetoelastic coupling
Balcerzak, T.; Szałowski, K.; Jaščur, M.
2018-04-01
Thermodynamic description of a model system with magnetoelastic coupling is presented. The elastic, vibrational, electronic and magnetic energy contributions are taken into account. The long-range RKKY interaction is considered together with the nearest-neighbour direct exchange. The generalized Gibbs potential and the set of equations of state are derived, from which all thermodynamic functions are self-consistently obtained. Thermodynamic properties are calculated numerically for FCC structure for arbitrary external pressure, magnetic field and temperature, and widely discussed. In particular, for some parameters of interaction potential and electron concentration corresponding to antiferromagnetic phase, the existence of negative thermal expansion coefficient is predicted.
Microscopic theory of particle-vibration coupling
Energy Technology Data Exchange (ETDEWEB)
Colo, Gianluca; Bortignon, Pier Francesco [Dipartimento di Fisica, Universita degli Studi di Milano and INFN, Sez. di Milano, via Celoria 16, 20133 Milano (Italy); Sagawa, Hiroyuki [Center for Mathematics and Physics, University of Aizu, Aizu-Wakamatsu, Fukushima 965-8560 (Japan); Moghrabi, Kassem; Grasso, Marcella; Giai, Nguyen Van, E-mail: colo@mi.infn.it [Institut de Physique Nucleaire, Universite Paris-Sud, IN2P3-CNRS, 91406 Orsay Cedex (France)
2011-09-16
Some recent microscopic implementations of the particle-vibration coupling (PVC) theory for atomic nuclei are briefly reviewed. Within the nonrelativistic framework, the results seem to point to the necessity of fitting new effective interactions that can work beyond mean field. In keeping with this, the divergences which arise must be cured. A method is proposed, and the future perspectives that are opened are addressed.
Microscopic theory of particle-vibration coupling
International Nuclear Information System (INIS)
Colo, Gianluca; Bortignon, Pier Francesco; Sagawa, Hiroyuki; Moghrabi, Kassem; Grasso, Marcella; Giai, Nguyen Van
2011-01-01
Some recent microscopic implementations of the particle-vibration coupling (PVC) theory for atomic nuclei are briefly reviewed. Within the nonrelativistic framework, the results seem to point to the necessity of fitting new effective interactions that can work beyond mean field. In keeping with this, the divergences which arise must be cured. A method is proposed, and the future perspectives that are opened are addressed.
Calculations of thermodynamic properties of PuO{sub 2} by the first-principles and lattice vibration
Energy Technology Data Exchange (ETDEWEB)
Minamoto, Satoshi [Energy and Industrial Systems Department, ITOCHU Techno-Solutions Corporation, Kasumigaseki 3-chome, Chiyoda-ku, Tokyo 100-6080 (Japan)], E-mail: satoshi.minamoto@ctc-g.co.jp; Kato, Masato [Japan Atomic Energy Agency, 4-33 Muramatsu, Tokai-mura, Naka-gun, Ibaraki 319-1194 (Japan); Konashi, Kenji [Institute for Materials Research, Tohoku University, 2145-2 Narita-chou, Oarai-chou, Ibaraki 311-1313 (Japan); Kawazoe, Yoshiyuki [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan)
2009-03-15
Plutonium dioxide (PuO{sub 2}) is a key compound of mixed oxide fuel (MOX fuel). To predict the thermal properties of PuO{sub 2} at high temperature, it is important to understand the properties of MOX fuel. In this study, thermodynamic properties of PuO{sub 2} were evaluated by coupling of first-principles and lattice dynamics calculation. Cohesive energy was estimated from first-principles calculations, and the contribution of lattice vibration to total energy was evaluated by phonon calculations. Thermodynamic properties such as volume thermal expansion, bulk modulus and specific heat of PuO{sub 2} were investigated up to 1500 K.
Calculations of thermodynamic properties of PuO2 by the first-principles and lattice vibration
International Nuclear Information System (INIS)
Minamoto, Satoshi; Kato, Masato; Konashi, Kenji; Kawazoe, Yoshiyuki
2009-01-01
Plutonium dioxide (PuO 2 ) is a key compound of mixed oxide fuel (MOX fuel). To predict the thermal properties of PuO 2 at high temperature, it is important to understand the properties of MOX fuel. In this study, thermodynamic properties of PuO 2 were evaluated by coupling of first-principles and lattice dynamics calculation. Cohesive energy was estimated from first-principles calculations, and the contribution of lattice vibration to total energy was evaluated by phonon calculations. Thermodynamic properties such as volume thermal expansion, bulk modulus and specific heat of PuO 2 were investigated up to 1500 K
Thermodynamical properties and thermoelastic coupling of complex macroscopic structure
International Nuclear Information System (INIS)
Fabbri, M.; Sacripanti, A.
1996-11-01
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
Cases of coupled vibrations and prametric instability in rotating machines
Luneno, Jean-Claude
2012-01-01
The principal task in this research project was to analyse the causes and consequences of coupled vibrations and parametric instability in hydropower rotors; where both horizontal and vertical machines are involved. Vibration is a well-known undesirable behavior of dynamical systems characterised by persistent periodic, quasi-periodic or chaotic motions. Vibrations generate noise and cause fatigue, which initiates cracks in mechanical structures. Motions coupling can in some cases augment the...
International Nuclear Information System (INIS)
Ali, M A; Nasir, M T; Khatun, M R; Naqib, S H; Islam, A K M A
2016-01-01
The structural vibrational, thermodynamical, and optical properties of potentially technologically important, weakly coupled MAX compound, Sc 2 AlC are calculated using density functional theory (DFT). The structural properties of Sc 2 AlC are compared with the results reported earlier. The vibrational, thermodynamical, and optical properties are theoretically estimated for the first time. The phonon dispersion curve is calculated and the dynamical stability of this compound is investigated. The optical and acoustic modes are observed clearly. We calculate the Helmholtz free energy ( F ), internal energy ( E ), entropy ( S ), and specific heat capacity ( C v ) from the phonon density of states. Various optical parameters are also calculated. The reflectance spectrum shows that this compound has the potential to be used as an efficient solar reflector. (paper)
Vibrational thermodynamics of Fe90Zr7B3 nanocrystalline alloy from nuclear inelastic scattering
DEFF Research Database (Denmark)
Stankov, S.; Miglierini, M.; Chumakov, A. I.
2010-01-01
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. Stank......, 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....
Thermodynamics and vibrational modes of hard sphere colloidal systems
Zargar, R.
2014-01-01
The central question that we address in this thesis is the thermodynamics of colloidal glasses. The thermodynamics of colloidal hard sphere glasses are directly related to the entropy of the system, since the phase behavior of hard sphere systems is dictated only by entropic contributions, and also
Mechanisms of Coupled Vibrational Relaxation and Dissociation in Carbon Dioxide.
Armenise, Iole; Kustova, Elena
2018-05-21
A complete vibrational state-specific kinetic scheme describing dissociating carbon dioxide mixtures is proposed. CO 2 symmetric, bending and asymmetric vibrations and dissociation-recombination are strongly coupled through inter-mode vibrational energy transfers. Comparative study of state-resolved rate coefficients is carried out; the effect of different transitions may vary considerably with temperature. A non-equilibrium 1-D boundary layer flow typical to hypersonic planetary entry is studied in the state-to-state approach. To assess the sensitivity of fluid-dynamic variables and heat transfer to various vibrational transitions and chemical reactions, corresponding processes are successively included to the kinetic scheme. It is shown that vibrational-translational (VT) transitions in the symmetric and asymmetric modes do not alter the flow and can be neglected whereas the VT 2 exchange in the bending mode is the main channel of vibrational relaxation. Inter-mode vibrational exchanges affect the flow implicitly, through energy redistribution enhancing VT relaxation; the dominating role belongs to near-resonant transitions between symmetric and bending modes as well as between CO molecules and CO 2 asymmetric mode. Strong coupling between VT 2 relaxation and chemical reactions is emphasized. While vibrational distributions and average vibrational energy show strong dependence on the kinetic scheme, the heat flux is more sensitive to chemical reactions.
VIBRATION ANALYSIS OF TURBINE BASED ON FLUID-STRUCTURE COUPLING
Institute of Scientific and Technical Information of China (English)
LIU Demin; LIU Xiaobing
2008-01-01
The vibration of a Francis turbine is analyzed with the additional quality matrix method based on fluid-structure coupling (FSC). Firstly, the vibration frequency and mode of blade and runner in air and water are calculated. Secondly, the influences to runner frequency domain by large flow, small flow and design flow working conditions are compared. Finally the influences to runner modes by centrifugal forces under three rotating speeds of 400 r/min, 500 r/min and 600 r/min are compared. The centrifugal force and small flow working condition have greatly influence on the vibration of small runner. With the increase of centrifugal force, the vibration frequency of the runner is sharply increased. Some order frequencies are even close to the runner natural frequency in the air. Because the low frequency vibration will severely damage the stability of the turbine, low frequency vibration of units should be avoided as soon as possible.
Controlling coupled bending-twisting vibrations of anisotropic composite wing
Ryabov, Victor; Yartsev, Boris
2018-05-01
The paper discusses the possibility to control coupled bending-twisting vibrations of anisotropic composite wing by means of the monoclinic structures in the reinforcement of the plating. Decomposing the potential straining energy and kinetic energy of natural vibration modes into interacting and non-interacting parts, it became possible to introduce the two coefficients that integrally consider the effect of geometry and reinforcement structure upon the dynamic response parameters of the wing. The first of these coefficients describes the elastic coupling of the natural vibration modes, the second coefficient describes the inertial one. The paper describes the numerical studies showing how the orientation of considerably anisotropic CRP layers in the plating affects natural frequencies, loss factors, coefficients of elastic and inertial coupling for several lower tones of natural bending-twisting vibrations of the wing. Besides, for each vibration mode, partial values of the above mentioned dynamic response parameters were determined by means of the relationships for orthotropic structures where instead of "free" shearing modulus in the reinforcement plant, "pure" shearing modulus is used. Joint analysis of the obtained results has shown that each pair of bending-twisting vibration modes has its orientation angle ranges of the reinforcing layers where the inertial coupling caused by asymmetry of the cross-section profile with respect to the main axes of inertia decreases, down to the complete extinction, due to the generation of the elastic coupling in the plating material. These ranges are characterized by the two main features: 1) the difference in the natural frequencies of the investigated pair of bending-twisting vibration modes is the minimum and 2) natural frequencies of bending-twisting vibrations belong to a stretch restricted by corresponding partial natural frequencies of the investigated pair of vibration modes. This result is of practical importance
Coupled vibrations in horizontal and vertical rotor-bearing systems
Luneno, Jean-Claude
2011-01-01
For dynamical systems having several degrees of freedom, motion in one direction can induce motion in the other. This means that there is a certain coupling between these two motions. Coupling can in some cases be a source of instability that causes self-excited vibrations in rotating machinery. In classical modeling of rotor systems, couplings other than those that are the result of gyroscopic effect are normally not considered. This is due to thecomplexity of the reasons for coupling which ...
Thermodynamic Upper Bound on Broadband Light Coupling with Photonic Structures
Yu, Zongfu; Raman, Aaswath; Fan, Shanhui
2012-01-01
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
Computation of expectation values from vibrational coupled-cluster at the two-mode coupling level
DEFF Research Database (Denmark)
Zoccante, Alberto; Seidler, Peter; Christiansen, Ove
2011-01-01
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...
Stochastic and Macroscopic Thermodynamics of Strongly Coupled Systems
Directory of Open Access Journals (Sweden)
Christopher Jarzynski
2017-01-01
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.
Thermodynamic Upper Bound on Broadband Light Coupling with Photonic Structures
Yu, Zongfu
2012-10-01
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.
Vibrational spectra and thermodynamics of biomolecule: 5-chlorocytosine
Czech Academy of Sciences Publication Activity Database
Rastori, V. K.; Palafox, M. A.; Lang, Kamil; Singhal, S.K.; Soni, R.K.; Sharma, R.
2006-01-01
Roč. 44, č. 9 (2006), s. 653-660 ISSN 0019-5596 Institutional research plan: CEZ:AV0Z40320502 Keywords : vibrational spectra * 5-chlorocytosine * laser Raman spectra Subject RIV: CA - Inorganic Chemistry Impact factor: 0.380, year: 2006
Statics and thermodynamics of strongly coupled multicomponent plasmas
International Nuclear Information System (INIS)
Rosenfeld, Y.
1980-01-01
A description of strongly coupled plasmas, in which the direct correlation functions, c/sub i/j(r), are obtained by simple scaling from a universal function, is derived and found to be in full agreement with available computer simulation data, which it thus extends for arbitrary mixtures. It is thermodynamically consistent with the ''ion-sphere'' charge-averaging prediction for the enhancement factors for nuclear reaction rates, the results for which confirm the universality of the bridge functions for mixtures
Steam turbine coupling misalignment detection by vibrational analysis
International Nuclear Information System (INIS)
Behzad, M.; Asoyesh, M.
2001-01-01
Machinery troubleshooting and diagnostics via vibration analysis have historically been proven, and once again become enlightened topics with the recent popularity of predictive maintenance programs. Among several causes of vibration of turbomachinery, coupling misalignment plays an important role.The results of a theoretical analysis of coupling misalignment and its frequency spectrum characteristics, which can be used for predictive maintenance programs, are compared with other numerical investigations and practical results. The analytical method used in this research is very straightforward and does not need any computer programming
Coupled vibrations in horizontal and vertical rotor-bearings systems
Luneno, Jean-Claude
2010-01-01
For dynamical systems having several degrees of freedom, motion in one direction can induce motion in the other and/or vice versa. This means that there is a certain coupling between these two motions. Coupling can in some cases be a source of instability that causes self-excited vibrations in rotating machinery. In modeling hydropower rotors, couplings other than those that are the result of gyroscopic effect are normally not considered. This is due to the complexity of the reasons for coupl...
Coupling vibration research on Vehicle-bridge system
Zhou, Jiguo; Wang, Guihua
2018-01-01
The vehicle-bridge coupling system forms when vehicle running on a bridge. It will generate a relatively large influence on the driving comfort and driving safe when the vibration of the vehicle is bigger. A three-dimensional vehicle-bridge system with biaxial seven degrees of freedom has been establish in this paper based on finite numerical simulation. Adopting the finite element transient numerical simulation to realize the numerical simulation of vehicle-bridge system coupling vibration. Then, analyze the dynamic response of vehicle and bridge while different numbers of vehicles running on the bridge. Got the variation rule of vertical vibration of car body and bridge, and that of the contact force between the wheel and bridge deck. The research results have a reference value for the analysis about the vehicle running on a large-span cabled bridge.
Intermediate coupling vibrational descriptions of odd mass gold isotopes
Vieu, C; Paar, V
1976-01-01
The theoretical analysis of /sup 193-195/Au levels is semi qualitatively performed in the frame of the intermediate coupling vibrational models of Kisslinger-Sorensen and Alaga. From the comparison between the experimental data and the corresponding predictions of the two models, conclusions are drawn on the influence of the clusters and broken pairs.
The Lagrangians and Hamiltonians of damped coupled vibrations
International Nuclear Information System (INIS)
Ding Guangtao; Gan Huilan; Zheng Xianfeng; Cui Zhifeng
2012-01-01
In this paper, the analytical mechanization of two kinds of damped coupled vibrations is studied. First, by use of coordinate transformations the equations of motion are transformed into the self-ad- joint form. Secondly, the Lagrangians are obtained according to Engels method. Finally the Lagrangians and Hamiltonians of the original equations are deduced by using the inverse transformation. (authors)
Statistical Thermodynamic Approach to Vibrational Solitary Waves in Acetanilide
Vasconcellos, Áurea R.; Mesquita, Marcus V.; Luzzi, Roberto
1998-03-01
We analyze the behavior of the macroscopic thermodynamic state of polymers, centering on acetanilide. The nonlinear equations of evolution for the populations and the statistically averaged field amplitudes of CO-stretching modes are derived. The existence of excitations of the solitary wave type is evidenced. The infrared spectrum is calculated and compared with the experimental data of Careri et al. [Phys. Rev. Lett. 51, 104 (1983)], resulting in a good agreement. We also consider the situation of a nonthermally highly excited sample, predicting the occurrence of a large increase in the lifetime of the solitary wave excitation.
Vibrationally coupled electron transport through single-molecule junctions
Energy Technology Data Exchange (ETDEWEB)
Haertle, Rainer
2012-04-26
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
Suhasini, M.; Sailatha, E.; Gunasekaran, S.; Ramkumaar, G. R.
2015-11-01
The Fourier transform infrared (FT-IR) and FT-Raman spectra of Lornoxicam were recorded in the region 4000-450 cm-1 and 4000-50 cm-1 respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameters, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p) and 6-31++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the Vibrational modes calculated using Vibrational Energy Distribution Analysis (VEDA 4) program. The oscillator's strength calculated by TD-DFT and Lornoxicam is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis and the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like Entropy, Enthalpy, Specific heat capacity and zero vibrational energy have been calculated. Besides, molecular electrostatic potential (MEP) was investigated using theoretical calculations.
Thermodynamic studies on charge-coupled substituted synthetic monazite
Energy Technology Data Exchange (ETDEWEB)
Rawat, D. [Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Phapale, S. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Mishra, R., E-mail: mishrar@barc.gov.in [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Dash, S. [Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)
2017-04-15
Phosphate-based monazite ceramic is considered worldwide as a potential crystalline host matrix for immobilization of long-lived tri- and tetra-valent actinides present in high-level nuclear waste. Monazite is chemically stable with respect to the leaching processes and has high radiation stability. The present paper describes the influence of charged coupled (Ca{sup 2+}, Th{sup 4+}) substitution in place of La{sup 3+} on thermodynamic stability of synthetic monazite ceramics. XRD-analysis of Ca, Th substituted LaPO{sub 4} viz., La{sub 1-x}Ca{sub x/2}Th{sub x/2}PO{sub 4} (0 ≤ x ≤ 1) points to the formation of ideal solid-solution in the entire range of composition. However, thermodynamic analysis indicates deviation from ideal solid-solution with a minima at x = 0.25. The substituted La{sub 1-x}Ca{sub x/2}Th{sub x/2}PO{sub 4} system is found to be iso-entropic and stabilized mainly by enthalpy. Enthalpies of formation as a function of Ca{sup 2+}, Th{sup 4+} substitution were analysed to provide insights into the development of thermodynamically stable nuclear waste matrix.
DEFF Research Database (Denmark)
Pomogaev, Vladimir; Pomogaeva, Anna; Avramov, Pavel
2011-01-01
Three polycyclic organic molecules in various solvents focused on thermo-dynamical aspects were theoretically investigated using the recently developed statistical quantum mechanical/classical molecular dynamics method for simulating electronic-vibrational spectra. The absorption bands of estradiol...
Coupling-parameter expansion in thermodynamic perturbation theory.
Ramana, A Sai Venkata; Menon, S V G
2013-02-01
An approach to the coupling-parameter expansion in the liquid state theory of simple fluids is presented by combining the ideas of thermodynamic perturbation theory and integral equation theories. This hybrid scheme avoids the problems of the latter in the two phase region. A method to compute the perturbation series to any arbitrary order is developed and applied to square well fluids. Apart from the Helmholtz free energy, the method also gives the radial distribution function and the direct correlation function of the perturbed system. The theory is applied for square well fluids of variable ranges and compared with simulation data. While the convergence of perturbation series and the overall performance of the theory is good, improvements are needed for potentials with shorter ranges. Possible directions for further developments in the coupling-parameter expansion are indicated.
Nonlinear vibrations analysis of rotating drum-disk coupling structure
Chaofeng, Li; Boqing, Miao; Qiansheng, Tang; Chenyang, Xi; Bangchun, Wen
2018-04-01
A dynamic model of a coupled rotating drum-disk system with elastic support is developed in this paper. By considering the effects of centrifugal and Coriolis forces as well as rotation-induced hoop stress, the governing differential equation of the drum-disk is derived by Donnell's shell theory. The nonlinear amplitude-frequency characteristics of coupled structure are studied. The results indicate that the natural characteristics of the coupling structure are sensitive to the supporting stiffness of the disk, and the sensitive range is affected by rotating speeds. The circumferential wave numbers can affect the characteristics of the drum-disk structure. If the circumferential wave number n = 1 , the vibration response of the drum keeps a stable value under an unbalanced load of the disk, there is no coupling effect if n ≠ 1 . Under the excitation, the nonlinear hardening characteristics of the forward traveling wave are more evident than that of the backward traveling wave. Moreover, because of the coupling effect of the drum and the disk, the supporting stiffness of the disk has certain effect on the nonlinear characteristics of the forward and backward traveling waves. In addition, small length-radius and thickness-radius ratios have a significant effect on the nonlinear characteristics of the coupled structure, which means nonlinear shell theory should be adopted to design rotating drum's parameter for its specific structural parameters.
Black hole thermodynamics, conformal couplings, and R 2 terms
Chernicoff, Mariano; Galante, Mario; Giribet, Gaston; Goya, Andres; Leoni, Matias; Oliva, Julio; Perez-Nadal, Guillem
2016-06-01
Lovelock theory provides a tractable model of higher-curvature gravity in which several questions can be studied analytically. This is the reason why, in the last years, this theory has become the favorite arena to study the effects of higher-curvature terms in the context of AdS/CFT correspondence. Lovelock theory also admits extensions that permit to accommodate matter coupled to gravity in a non-minimal way. In this setup, problems such as the backreaction of matter on the black hole geometry can also be solved exactly. In this paper, we study the thermodynamics of black holes in theories of gravity of this type, which include both higher-curvature terms, U(1) gauge fields, and conformal couplings with matter fields in D dimensions. These charged black hole solutions exhibit a backreacting scalar field configuration that is regular everywhere outside and on the horizon, and may exist both in asymptotically flat and asymptotically Anti-de Sitter (AdS) spaces. We work out explicitly the boundary action for this theory, which renders the variational problem well-posed and suffices to regularize the Euclidean action in AdS. We also discuss several interrelated properties of the theory, such as its duality symmetry under field redefinition and how it acts on black holes and gravitational wave solutions.
Black hole thermodynamics, conformal couplings, and R2 terms
International Nuclear Information System (INIS)
Chernicoff, Mariano; Galante, Mario; Giribet, Gaston; Goya, Andres; Leoni, Matias; Oliva, Julio; Perez-Nadal, Guillem
2016-01-01
Lovelock theory provides a tractable model of higher-curvature gravity in which several questions can be studied analytically. This is the reason why, in the last years, this theory has become the favorite arena to study the effects of higher-curvature terms in the context of AdS/CFT correspondence. Lovelock theory also admits extensions that permit to accommodate matter coupled to gravity in a non-minimal way. In this setup, problems such as the backreaction of matter on the black hole geometry can also be solved exactly. In this paper, we study the thermodynamics of black holes in theories of gravity of this type, which include both higher-curvature terms, U(1) gauge fields, and conformal couplings with matter fields in D dimensions. These charged black hole solutions exhibit a backreacting scalar field configuration that is regular everywhere outside and on the horizon, and may exist both in asymptotically flat and asymptotically Anti-de Sitter (AdS) spaces. We work out explicitly the boundary action for this theory, which renders the variational problem well-posed and suffices to regularize the Euclidean action in AdS. We also discuss several interrelated properties of the theory, such as its duality symmetry under field redefinition and how it acts on black holes and gravitational wave solutions.
Vibrational analysis and thermodynamic properties of C120 nanotorus: a DFT study
International Nuclear Information System (INIS)
López-Chávez, Ernesto; Cruz-Torres, Armando; Landa Castillo-Alvarado, Fray de; Ortíz-López, Jaime; Peña-Castañeda, Yésica A.; Martínez-Magadán, José Manuel
2011-01-01
Density functional theory (DFT) computational methods are applied to a C 120 carbon nanotorus studied as an isolated molecular species, using the functional GGA PW91. This toroidal form of carbon contains five fold, six fold, and sevenfold rings. The calculated cohesive energy of the nanotorus, indicates that the ground state of this structure is energetically more stable than that of fullerene C 60 . Geometry and stability, Raman and IR vibrational analysis and thermodynamic properties have been reported and compared to the values obtained by other authors.
Analytical Evaluation of the Nonlinear Vibration of Coupled Oscillator Systems
DEFF Research Database (Denmark)
Bayat, M.; Shahidi, M.; Barari, Amin
2011-01-01
approximations to the achieved nonlinear differential oscillation equations where the displacement of the two-mass system can be obtained directly from the linear second-order differential equation using the first order of the current approach. Compared with exact solutions, just one iteration leads us to high......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...
Influence of delayed excitation on vibrations of turbine blades couple
Directory of Open Access Journals (Sweden)
Půst L.
2013-06-01
Full Text Available In the presented paper, the computational model of the turbine blade couple is investigated with the main attention to the influence two harmonic excitation forces, having the same frequency and amplitude but with moderate delay in time. Time delay between the exciting harmonic forces depends on the revolutions of bladed disk, on the number of blades on a rotating disk and on the number of stator blades. The reduction of resonance vibrations realized by means of dry friction between the shroud blade-heads increases roughly proportional to the difference of stator and rotor blade-numbers and also to the magnitude of dry friction force. From the analysis of blade couple with direct contact it was proved that the increase of friction forces causes decrease of resonance peaks, but the influence of elastic micro-deformations in the contact surfaces (modeled e.g. by the modified Coulomb dry friction law is rather small. Analysis of a blade couple with a friction element shows that the lower number of stator blades has negligible influence on the amplitudes of both blades, but decreases amplitudes of the friction element oscillations. Similarly the increase of friction forces causes a decrease of resonance peaks, but an increase of friction element amplitudes.
Optimization design of high power ultrasonic circular ring radiator in coupled vibration.
Xu, Long; Lin, Shuyu; Hu, Wenxu
2011-10-01
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.
Vibration control in smart coupled beams subjected to pulse excitations
Pisarski, Dominik; Bajer, Czesław I.; Dyniewicz, Bartłomiej; Bajkowski, Jacek M.
2016-10-01
In this paper, a control method to stabilize the vibration of adjacent structures is presented. The control is realized by changes of the stiffness parameters of the structure's couplers. A pulse excitation applied to the coupled adjacent beams is imposed as the kinematic excitation. For such a representation, the designed control law provides the best rate of energy dissipation. By means of a stability analysis, the performance in different structural settings is studied. The efficiency of the proposed strategy is examined via numerical simulations. In terms of the assumed energy metric, the controlled structure outperforms its passively damped equivalent by over 50 percent. The functionality of the proposed control strategy should attract the attention of practising engineers who seek solutions to upgrade existing damping systems.
Coupling of Waves, Turbulence and Thermodynamics Across the Marginal Ice Zone
2015-09-30
1 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. Coupling of Waves, Turbulence and Thermodynamics across...developing Thermodynamically Forced Marginal Ice Zone. Submitted to JGR. Heiles,A. S., NPS thesis, Sep. 2014 Schmidt, B. K., NPS thesis March 2012 Shaw
Czech Academy of Sciences Publication Activity Database
Klika, Václav; Grmela, M.
2013-01-01
Roč. 87, č. 1 (2013), s. 1-9 ISSN 1539-3755 Institutional support: RVO:61388998 Keywords : gemneric * non- equilibrium thermodynamics * coupling Subject RIV: BJ - Thermodynamics Impact factor: 2.326, year: 2013 http://link.aps.org/doi/10.1103/PhysRevE.87.012141
Directory of Open Access Journals (Sweden)
Zhou Danfeng
2017-01-01
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.
Shtyn, S. U.; Lebedev, V. A.; Gorlenko, A. O.
2017-02-01
On the basis of thermodynamic concepts of the process, we proposed an energy model that reflects the mechanochemical essence of coating forming in terms of vibration technology systems, which takes into account the contribution to the formation of the coating, the increase of unavailable energy due to the growth of entropy, the increase in the energy of elastic-plastic crystal lattice distortion as a result of the mechanical influence of working environment indenters, surface layer internal energy change which occurs as a result of chemical interaction of the contacting media. We proposed adhesion strength of the local volume modified through processing as a criterion of the energy condition of the formed coating. We established analytical dependence which helps to obtain the coating strength of the material required by operating conditions.
Thermodynamics and vibrational study of hydrogenated carbon nanotubes: A DFT study
Khalil, Rana M. Arif; Hussain, Fayyaz; Rana, Anwar Manzoor; Imran, Muhammad
2018-02-01
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.
Thermodynamics in f(T Gravity with Nonminimal Coupling to Matter
Directory of Open Access Journals (Sweden)
Tahereh Azizi
2017-01-01
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.
International Nuclear Information System (INIS)
Talati, Mina; Posselt, Matthias; Al-Motasem, Ahmed; Bergner, Frank; Bonny, Giovanni
2012-01-01
The effects of lattice vibration on the thermodynamics of nanosized coherent clusters in bcc-Fe consisting of vacancies and/or copper are investigated within the harmonic approximation. A combination of on-lattice simulated annealing based on Metropolis Monte Carlo simulations and off-lattice relaxation by molecular dynamics is applied to obtain the most stable cluster configurations at T = 0 K. The most recent interatomic potential built within the framework of the embedded-atom method for the Fe-Cu system is used. The total free energy of pure bcc-Fe and fcc-Cu as well as the total formation free energy and the total binding free energy of the vacancy-copper clusters are determined for finite temperatures. Our results are compared with the available data from previous investigations performed using many-body interatomic potentials and first-principles methods. For further applications in rate theory and object kinetic Monte Carlo simulations, the vibrational effects evaluated in the present study are included in the previously developed analytical fitting formulae. (paper)
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)
2016-11-15
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.)
Thermodynamics of Horndeski black holes with non-minimal derivative coupling
International Nuclear Information System (INIS)
Miao, Yan-Gang; Xu, Zhen-Ming
2016-01-01
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.)
Application of Enzyme Coupling Reactions to Shift Thermodynamically Limited Biocatalytic Reactions
DEFF Research Database (Denmark)
Abu, Rohana; Woodley, John M.
2015-01-01
, it can be challenging to combine several engineered enzymes in vitro for the conversion of non-natural substrates. In this mini-review we focus on enzyme coupling reactions as a tool to alleviate thermodynamic constraints in synthetically useful biocatalytic reactions. The implications of thermodynamic...... 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...
International Nuclear Information System (INIS)
Topin, S.; Baglan, N.; Aupiais, J.
2009-01-01
Full text: Aiming to investigate plutonium speciation at trace levels, we coupled capillary electrophoresis, a high resolution separation technique with inductively coupled plasma mass spectrometry, a detector with high sensitivity for plutonium. The research work performed to optimize the coupling is discussed based on the following criteria: the migration time, the resolution and the detection limit. The capabilities of the analytical tool are demonstrated by determining thermodynamic constants for pentavalent plutonium, and neptunium as a reference, in the presence of inorganic ligands. (author)
Active Control of Parametric Vibrations in Coupled Rotor-Blade Systems
DEFF Research Database (Denmark)
Christensen, Rene Hardam; Santos, Ilmar
2003-01-01
of modes. The designed control scheme is applied to a coupled rotor-blade system and dynamic responses are numerically evaluated. Such responses show that the vibrations are efficiently reduced. Frequency response diagrams demonstrate that both basis and parametric vibration modes are significantly...... 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...
Anharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stress
Monserrat, Bartomeu; Drummond, N. D.; Needs, R. J.
2013-01-01
A unified approach is used to study vibrational properties of periodic systems with first-principles methods and including anharmonic effects. Our approach provides a theoretical basis for the determination of phonon-dependent quantities at finite temperatures. The low-energy portion of the Born-Oppenheimer energy surface is mapped and used to calculate the total vibrational energy including anharmonic effects, electron-phonon coupling, and the vibrational contribution to the stress tensor. W...
Nosonovsky, Michael
2013-01-01
Many scientists and engineers do not realize that, under certain conditions, friction can lead to the formation of new structures at the interface, including in situ tribofilms and various patterns. In turn, these structures-usually formed by destabilization of the stationary sliding regime-can lead to the reduction of friction and wear. Friction-Induced Vibrations and Self-Organization: Mechanics and Non-Equilibrium Thermodynamics of Sliding Contact combines the mechanical and thermodynamic methods in tribology, thus extending the field of mechanical friction-induced vibrations to non-mechanical instabilities and self-organization processes at the frictional interface. The book also relates friction-induced self-organization to novel biomimetic materials, such as self-lubricating, self-cleaning, and self-healing materials. Explore Friction from a Different Angle-as a Fundamental Force of Nature The book begins with an exploration of friction as a fundamental force of nature throughout the history of science....
Contribution to the heavy-ion optical potential from coupling to vibrational states
Energy Technology Data Exchange (ETDEWEB)
Donangelo, R; Canto, L F; Hussein, M S
1978-11-01
The component of the optical potential in the elastic channel due to the coupling to vibrational states in Coulomb excitation is derived using a previously developed semiclassical method. Several numerical examples are worked out.
National Research Council Canada - National Science Library
Wang, Kon-Well
2006-01-01
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...
Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical
Energy Technology Data Exchange (ETDEWEB)
Adam, Ahmad Y.; Jensen, Per, E-mail: jensen@uni-wuppertal.de [Fakultät Mathematik und Naturwissenschaften, Physikalische und Theoretische Chemie, Bergische Universität Wuppertal, D-42097 Wuppertal (Germany); Yachmenev, Andrey; Yurchenko, Sergei N. [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom)
2015-12-28
We present the first variational calculation of the isotropic hyperfine coupling constant of the carbon-13 atom in the CH{sub 3} radical for temperatures T = 0, 96, and 300 K. It is based on a newly calculated high level ab initio potential energy surface and hyperfine coupling constant surface of CH{sub 3} in the ground electronic state. The ro-vibrational energy levels, expectation values for the coupling constant, and its temperature dependence were calculated variationally by using the methods implemented in the computer program TROVE. Vibrational energies and vibrational and temperature effects for coupling constant are found to be in very good agreement with the available experimental data. We found, in agreement with previous studies, that the vibrational effects constitute about 44% of the constant’s equilibrium value, originating mainly from the large amplitude out-of-plane bending motion and that the temperature effects play a minor role.
Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical
Adam, Ahmad Y.; Yachmenev, Andrey; Yurchenko, Sergei N.; Jensen, Per
2015-12-01
We present the first variational calculation of the isotropic hyperfine coupling constant of the carbon-13 atom in the CH3 radical for temperatures T = 0, 96, and 300 K. It is based on a newly calculated high level ab initio potential energy surface and hyperfine coupling constant surface of CH3 in the ground electronic state. The ro-vibrational energy levels, expectation values for the coupling constant, and its temperature dependence were calculated variationally by using the methods implemented in the computer program TROVE. Vibrational energies and vibrational and temperature effects for coupling constant are found to be in very good agreement with the available experimental data. We found, in agreement with previous studies, that the vibrational effects constitute about 44% of the constant's equilibrium value, originating mainly from the large amplitude out-of-plane bending motion and that the temperature effects play a minor role.
Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical
International Nuclear Information System (INIS)
Adam, Ahmad Y.; Jensen, Per; Yachmenev, Andrey; Yurchenko, Sergei N.
2015-01-01
We present the first variational calculation of the isotropic hyperfine coupling constant of the carbon-13 atom in the CH 3 radical for temperatures T = 0, 96, and 300 K. It is based on a newly calculated high level ab initio potential energy surface and hyperfine coupling constant surface of CH 3 in the ground electronic state. The ro-vibrational energy levels, expectation values for the coupling constant, and its temperature dependence were calculated variationally by using the methods implemented in the computer program TROVE. Vibrational energies and vibrational and temperature effects for coupling constant are found to be in very good agreement with the available experimental data. We found, in agreement with previous studies, that the vibrational effects constitute about 44% of the constant’s equilibrium value, originating mainly from the large amplitude out-of-plane bending motion and that the temperature effects play a minor role
Fluid lipid bilayers: Intermonolayer coupling and its thermodynamic manifestations
DEFF Research Database (Denmark)
Hansen, Per Lyngs; Miao, Ling; Ipsen, John Hjorth
1998-01-01
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...
Marcondes, Michel L.; Wentzcovitch, Renata M.; Assali, Lucy V. C.
2018-05-01
Thermal equations of state (EOS) are essential in several scientific domains. However, experimental determination of EOS parameters may be limited at extreme conditions, therefore, ab initio calculations have become an important method to obtain them. Density functional theory (DFT) and its extensions with various degrees of approximations for the exchange and correlation (XC) energy is the method of choice, but large errors in the EOS parameters are still common. The alkali halides have been problematic from the onset of this field and the quest for appropriate DFT functionals for such ionic and relatively weakly bonded systems has remained an active topic of research. Here we use DFT + van der Waals functionals to calculate vibrational properties, thermal EOS, thermodynamic properties, and the B1 to B2 phase boundary of NaCl with high precision. Our results reveal a remarkable improvement over the performance of standard local density approximation and generalized gradient approximation functionals for all these properties and phase transition boundary, as well as great sensitivity of anharmonic effects on the choice of XC functional.
Thermodynamically coupled mass transport processes in a saturated clay
International Nuclear Information System (INIS)
Carnahan, C.L.
1984-01-01
Gradients of temperature, pressure, and fluid composition in saturated clays give rise to coupled transport processes (thermal and chemical osmosis, thermal diffusion, ultrafiltration) in addition to the direct processes (advection and diffusion). One-dimension transport of water and a solute in a saturated clay subjected to mild gradients of temperature and pressure was simulated numerically. When full coupling was accounted for, volume flux (specific discharge) was controlled by thermal osmosis and chemical osmosis. The two coupled fluxes were oppositely directed, producing a point of stagnation within the clay column. Solute flows were dominated by diffusion, chemical osmosis, and thermal osmosis. Chemical osmosis produced a significant flux of solute directed against the gradient of solute concentration; this effect reduced solute concentrations relative to the case without coupling. Predictions of mass transport in clays at nuclear waste repositories could be significantly in error if coupled transport processes are not accounted for. 14 refs., 8 figs
Thermodynamically coupled mass transport processes in a saturated clay
International Nuclear Information System (INIS)
Carnahan, C.L.
1984-11-01
Gradients of temperature, pressure, and fluid composition in saturated clays give rise to coupled transport processes (thermal and chemical osmosis, thermal diffusion, ultrafiltration) in addition to the direct processes (advection and diffusion). One-dimensional transport of water and a solute in a saturated clay subjected to mild gradients of temperature and pressure was simulated numerically. When full coupling was accounted for, volume flux (specific discharge) was controlled by thermal osmosis and chemical osmosis. The two coupled fluxes were oppositely directed, producing a point of stagnation within the clay column. Solute flows were dominated by diffusion, chemical osmosis, and thermal osmosis. Chemical osmosis produced a significant flux of solute directed against the gradient of solute concentration; this effect reduced solute concentrations relative to the case without coupling. Predictions of mass transport in clays at nuclear waste repositories could be significantly in error if coupled transport processes are not accounted for. 14 references, 8 figures, 1 table
Geng, S. M.; Briggs, M. H.; Hervol, D. S.
A pair of 1kWe free-piston Stirling power convertors has been modified into a thermodynamically coupled configuration, and performance map testing has been completed. This is the same configuration planned for the full-scale 12 kWe power conversion unit (PCU) that will be used in the Fission Power System Technology Demonstration Unit (TDU). The 1-kWe convertors were operated over a range of conditions to evaluate the effects of thermodynamic coupling on convertor performance and to identify any possible control challenges. The thermodynamically coupled convertor showed no measurable difference in performance from the baseline data collected when the engines were separate and no major control issues were encountered during operation. The results of this test are guiding controller development and instrumentation selection for the TDU.
Quantum thermodynamics of the resonant-level model with driven system-bath coupling
Haughian, Patrick; Esposito, Massimiliano; Schmidt, Thomas L.
2018-02-01
We study nonequilibrium thermodynamics in a fermionic resonant-level model with arbitrary coupling strength to a fermionic bath, taking the wide-band limit. In contrast to previous theories, we consider a system where both the level energy and the coupling strength depend explicitly on time. We find that, even in this generalized model, consistent thermodynamic laws can be obtained, up to the second order in the drive speed, by splitting the coupling energy symmetrically between system and bath. We define observables for the system energy, work, heat, and entropy, and calculate them using nonequilibrium Green's functions. We find that the observables fulfill the laws of thermodynamics, and connect smoothly to the known equilibrium results.
Schwenke, David W.; Truhlar, Donald G.
1988-04-01
We present new ab initio calculations of the HF-HF interaction potential for the case where both molecules are simultaneously displaced from their equilibrium internuclear distance. These and previous ab initio calculations are then fit to a new analytic representation which is designed to be efficient to evaluate and to provide an especially faithful account of the forces along the vibrational coordinates. We use the new potential for two sets of quantal scattering calculations for collisions in three dimensions with total angular momentum zero. First we test that the angular harmonic representation of the anisotropy is adequate by comparing quantal rigid rotator calculations to those carried out for potentials involving higher angular harmonics and for which the expansion in angular harmonics is systematically increased to convergence. Then we carry out large-scale quantal calculations of vibration-vibration energy transfer including the coupling of both sets of vibrational and rotational coordinates. These calculations indicate that significant rotational energy transfer accompanies the vibration-to-vibration energy transfer process.
Fermi, Enrico
1956-01-01
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
Directory of Open Access Journals (Sweden)
K. S. Kalogerakis
2018-01-01
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.
International Nuclear Information System (INIS)
Cheng Ting-Hai; Gao Han; Bao Gang
2011-01-01
A novel ultrasonic vibration approach is introduced into a chloroprene rubber/aluminum friction couple for improving the static friction properties between rubber and metal. Compared to the test results without vibrations, the static friction force of a chloroprene rubber/aluminum couple decreases observably, leading to the ultimate displacement of rubber. The values of the static friction force and ultimate displacement can be ultimately reduced to 23.1% and 50% of those without ultrasonic vibrations, respectively. (fundamental areas of phenomenology(including applications))
Thermodynamic laws for generalized f(R) gravity with curvature-matter coupling
International Nuclear Information System (INIS)
Wu Yabo; Zhao Yueyue; Cai Ronggen; Lu Jianbo; Lu Junwang; Gao Xiaojing
2012-01-01
The first law and the generalized second law (GSL) of thermodynamics for the generalized f(R) gravity with curvature-matter coupling are studied in the spatially homogeneous, isotropic FRW universe. The research results show that the field equations of the generalized f(R) gravity with curvature-matter coupling can be cast to the form of the first law of thermodynamics with the so-called the entropy production terms dS ¯ and the GSL can be given by considering the FRW universe filled only with ordinary matter enclosed by the dynamical apparent horizon with the Hawking temperature. Furthermore, as a concrete example, by utilizing the GSL the constraints on the gravitational model with f 1 (R)=R+αR l and f 2 (R)=R m are also discussed. It is worth noting these results given by us are quite general and can degenerate to the ones in Einstein's general relativity and pure f(R) gravity with non-coupling and non-minimal coupling as special cases. Comparing with the case of Einstein's general relativity, the appearance of the entropy production term dS ¯ in the first law of thermodynamics demonstrates that the horizon thermodynamics is non-equilibrium one for generalized f(R) gravity with curvature-matter coupling, which is consistent with the arguments given in Akbar and Cai (2007) [13] and Eling et al. (2006) [18].
Jacobs, Michael H G; Schmid-Fetzer, Rainer; van den Berg, Arie P.
2017-01-01
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
Simpkins, Blake S.; Fears, Kenan P.; Dressick, Walter J.; Dunkelberger, Adam D.; Spann, Bryan T.; Owrutsky, Jeffrey C.
2016-09-01
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.
Thermodynamics of strong coupling superconductors including the effect of anisotropy
Daams, J. M.; Carbotte, J. P.
1981-05-01
The thermodynamics of several elemental superconductors is computed from isotropic Eliashberg theory formulated on the imaginary frequency axis. A symmary of the available experimental literature is presented and a comparison with theory is given. The small disagreements that are found are all in the direction expected from anisotropy effects. We calculate the effect of a small amount of model anisotropy on the critical temperature, critical field, and high-temperature specific heat from an exact solution of the anisotropic Eliashberg equations. These are the first such results below the critical temperature; unlike previous analytical work, we include retardation, anisotropy in the mass enhancement, and the effect of the Coulomb repulsion in enhancing anisotropy, all of which are significant. We derive a new formula independent of any model anisotropy for the rate of decrease with impurity lifetime of the critical temperature. Finally we demonstrate how the commonly used formulas of Markowitz and Kadanoff and of Clem may give entirely misleading estimates of the gap anisotropy when used to interpret certain experiments.
Analysis on Coupled Vibration of a Radially Polarized Piezoelectric Cylindrical Transducer
Directory of Open Access Journals (Sweden)
Jie Xu
2017-12-01
Full Text Available 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.
Energy Technology Data Exchange (ETDEWEB)
Faber, Rasmus; Sauer, Stephan P. A. [Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø (Denmark)
2015-12-31
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.
Directory of Open Access Journals (Sweden)
Xin Lai
2016-01-01
Full Text Available Industrial simulation of real external load using multiple exciting points or increasing exciting force by synchronizing multiple exciting forces requires multiple vibration hammers to be coordinated and work together. Multihammer vibration system which consists of several hammers is a complex electromechanical system with complex electromechanical coupling. In this paper, electromechanical coupling properties of such a multihammer vibration system were studied in detail using theoretical derivation, numerical simulation, and experiment. A kinetic model of multihammer synchronous vibration system was established, and approximate expressions for electromechanical coupling strength were solved using a small parameter periodic averaging method. Basic coupling rules and reasons were obtained. Self-synchronization and frequency hopping phenomenon were also analyzed. Subsequently, numerical simulations were carried out and electromechanical coupling process was obtained for different parameters. Simulation results verify correctness of the proposed model and results. Finally, experiments were carried out, self-synchronization and frequency hopping phenomenon were both observed, and results agree well with theoretical deduction and simulation results. These results provide theoretical foundations for multihammer synchronous vibration system and its synchronous control.
Coupled bending and torsional vibration of a rotor system with nonlinear friction
International Nuclear Information System (INIS)
Hua, Chunli; Cao, Guohua; Zhu, Zhencai; Rao, Zhushi; Ta, Na
2017-01-01
Unacceptable vibrations induced by the nonlinear friction in a rotor system seriously affect the health and reliability of the rotating ma- chinery. To find out the basic excitation mechanism and characteristics of the vibrations, a coupled bending and torsional nonlinear dynamic model of rotor system with nonlinear friction is presented. The dynamic friction characteristic is described with a Stribeck curve, which generates nonlinear friction related to relative velocity. The motion equations of unbalance rotor system are established by the Lagrangian approach. Through numerical calculation, the coupled vibration characteristics of a rotor system under nonlinear friction are well investigated. The influence of main system parameters on the behaviors of the system is discussed. The bifurcation diagrams, waterfall plots, the times series, orbit trails, phase plane portraits and Poincaré maps are obtained to analyze dynamic characteristics of the rotor system and the results reveal multiform complex nonlinear dynamic responses of rotor system under rubbing. These analysis results of the present paper can effectively provide a theoretical reference for structural design of rotor systems and be used to diagnose self- excited vibration faults in this kind of rotor systems. The present research could contribute to further understanding on the self-excited vibration and the bending and torsional coupling vibration of the rotor systems with Stribeck friction model.
Coupled bending and torsional vibration of a rotor system with nonlinear friction
Energy Technology Data Exchange (ETDEWEB)
Hua, Chunli; Cao, Guohua; Zhu, Zhencai [China University of Mining and Technology, Xuzhou (China); Rao, Zhushi; Ta, Na [Shanghai Jiao Tong University, Shanghai (China)
2017-06-15
Unacceptable vibrations induced by the nonlinear friction in a rotor system seriously affect the health and reliability of the rotating ma- chinery. To find out the basic excitation mechanism and characteristics of the vibrations, a coupled bending and torsional nonlinear dynamic model of rotor system with nonlinear friction is presented. The dynamic friction characteristic is described with a Stribeck curve, which generates nonlinear friction related to relative velocity. The motion equations of unbalance rotor system are established by the Lagrangian approach. Through numerical calculation, the coupled vibration characteristics of a rotor system under nonlinear friction are well investigated. The influence of main system parameters on the behaviors of the system is discussed. The bifurcation diagrams, waterfall plots, the times series, orbit trails, phase plane portraits and Poincaré maps are obtained to analyze dynamic characteristics of the rotor system and the results reveal multiform complex nonlinear dynamic responses of rotor system under rubbing. These analysis results of the present paper can effectively provide a theoretical reference for structural design of rotor systems and be used to diagnose self- excited vibration faults in this kind of rotor systems. The present research could contribute to further understanding on the self-excited vibration and the bending and torsional coupling vibration of the rotor systems with Stribeck friction model.
Madsen, Niels Kristian; Godtliebsen, Ian H.; Losilla, Sergio A.; Christiansen, Ove
2018-01-01
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.
International Nuclear Information System (INIS)
Gu, Lei; Livermore, Carol
2011-01-01
This paper presents experiments and models of an energy harvesting device in which a low frequency resonator impacts a high frequency energy harvesting resonator, resulting in energy harvesting predominantly at the system's coupled vibration frequency. Analysis shows that a reduced mechanical damping ratio during coupled vibration enables increased electrical power generation as compared with conventional technology. Experiments demonstrate that the efficiency of electrical power transfer is significantly improved with the coupled vibration approach. An average power output of 0.43 mW is achieved under 0.4g acceleration at 8.2 Hz, corresponding to a power density of 25.5 µW cm −3 . The measured power and power density at the resonant frequency are respectively 4.8 times and 13 times the measured peak values for a conventional harvester created from a low frequency beam alone
Meng, Deshan; Wang, Xueqian; Xu, Wenfu; Liang, Bin
2017-05-01
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.
Methodology for Analysing Controllability and Observability of Bladed Disc Coupled Vibrations
DEFF Research Database (Denmark)
Christensen, Rene Hardam; Santos, Ilmar
2004-01-01
to place sensors and actuators so that all vibration levels can be monitored and controlled. Due to the special dynamic characteristics of rotating coupled bladed discs, where disc lateral motion is coupled to blade flexible motion, such analyses become quite complicated. The dynamics is described...... by a time-variant mathematical model, which presents parametric vibration modes and centrifugal stiffening effects resulting in increasing blade natural frequencies. In this framework the objective and contribution of this paper is to present a methodology for analysing the modal controllability...
Coupled thermodynamic-dynamic semi-analytical model of free piston Stirling engines
Energy Technology Data Exchange (ETDEWEB)
Formosa, F., E-mail: fabien.formosa@univ-savoie.f [Laboratoire SYMME, Universite de Savoie, BP 80439, 74944 Annecy le Vieux Cedex (France)
2011-05-15
Research highlights: {yields} The free piston Stirling behaviour relies on its thermal and dynamic features. {yields} A global semi-analytical model for preliminary design is developed. {yields} The model compared with NASA-RE1000 experimental data shows good correlations. -- Abstract: The study of free piston Stirling engine (FPSE) requires both accurate thermodynamic and dynamic modelling to predict its performances. The steady state behaviour of the engine partly relies on non linear dissipative phenomena such as pressure drop loss within heat exchangers which is dependant on the temperature within the associated components. An analytical thermodynamic model which encompasses the effectiveness and the flaws of the heat exchangers and the regenerator has been previously developed and validated. A semi-analytical dynamic model of FPSE is developed and presented in this paper. The thermodynamic model is used to define the thermal variables that are used in the dynamic model which evaluates the kinematic results. Thus, a coupled iterative strategy has been used to perform a global simulation. The global modelling approach has been validated using the experimental data available from the NASA RE-1000 Stirling engine prototype. The resulting coupled thermodynamic-dynamic model using a standardized description of the engine allows efficient and realistic preliminary design of FPSE.
Coupled thermodynamic-dynamic semi-analytical model of free piston Stirling engines
International Nuclear Information System (INIS)
Formosa, F.
2011-01-01
Research highlights: → The free piston Stirling behaviour relies on its thermal and dynamic features. → A global semi-analytical model for preliminary design is developed. → The model compared with NASA-RE1000 experimental data shows good correlations. -- Abstract: The study of free piston Stirling engine (FPSE) requires both accurate thermodynamic and dynamic modelling to predict its performances. The steady state behaviour of the engine partly relies on non linear dissipative phenomena such as pressure drop loss within heat exchangers which is dependant on the temperature within the associated components. An analytical thermodynamic model which encompasses the effectiveness and the flaws of the heat exchangers and the regenerator has been previously developed and validated. A semi-analytical dynamic model of FPSE is developed and presented in this paper. The thermodynamic model is used to define the thermal variables that are used in the dynamic model which evaluates the kinematic results. Thus, a coupled iterative strategy has been used to perform a global simulation. The global modelling approach has been validated using the experimental data available from the NASA RE-1000 Stirling engine prototype. The resulting coupled thermodynamic-dynamic model using a standardized description of the engine allows efficient and realistic preliminary design of FPSE.
Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit
Gruber, Thomas; Liao, Ke; Tsatsoulis, Theodoros; Hummel, Felix; Grüneis, Andreas
2018-04-01
Modern electronic structure theories can predict and simulate a wealth of phenomena in surface science and solid-state physics. In order to allow for a direct comparison with experiment, such ab initio predictions have to be made in the thermodynamic limit, substantially increasing the computational cost of many-electron wave-function theories. Here, we present a method that achieves thermodynamic limit results for solids and surfaces using the "gold standard" coupled cluster ansatz of quantum chemistry with unprecedented efficiency. We study the energy difference between carbon diamond and graphite crystals, adsorption energies of water on h -BN, as well as the cohesive energy of the Ne solid, demonstrating the increased efficiency and accuracy of coupled cluster theory for solids and surfaces.
Study on the coupled vibration of square cylinders in a liquid, 3
International Nuclear Information System (INIS)
Kasai, Hiroaki
1984-01-01
The through-liquid coupled vibration of a group of square bars with same structural particulars supported in a vessel filled with liquid is under the control by the gap width between the bars, the gap width between the vessel and the bars, the ratio of the density of the bars and the liquid, the viscosity of the liquid and so on. Also the number of the natural frequency and the mode of vibration of the group of bars is 2 x the number of bars. In order to forecast the behavior of heat exchangers, the in-core structures of nuclear reactors and others at the time of earthquakes, the relation among these influencing factors and the vibration characteristics of a group of bars is to be examined. In this study, the vibration response was theoretically examined in the case where the system of many bars arranged two-dimensionally was subjected to forced vibration was examined. First, the method of reducing the equations of fluid force and the equations of motion of bars by using the axisymmetry of vibration mode was considered. Next, the method of approximate calculation under the assumption that fluid force is averaged was proposed. The vibration characteristics of various bar group models were compared by using the exact model and the approximate model, and it was confirmed that this method of approximate calculation can be practically used. (Kako, I.)
International Nuclear Information System (INIS)
Zanchini, E.
1988-01-01
The definition of energy, in thermodynamics, is dependent by starting operative definitions of the basic concepts of physics on which it rests, such as those of isolated systems, ambient of a system, separable system and set of separable states. Then the definition of energy is rigorously extended to open systems. The extension gives a clear physical meaning to the concept of energy difference between two states with arbitrary different compositions
Thermodynamic ocean-atmosphere Coupling and the Predictability of Nordeste rainfall
Chang, P.; Saravanan, R.; Giannini, A.
2003-04-01
The interannual variability of rainfall in the northeastern region of Brazil, or Nordeste, is known to be very strongly correlated with sea surface temperature (SST) variability, of Atlantic and Pacific origin. For this reason the potential predictability of Nordeste rainfall is high. The current generation of state-of-the-art atmospheric models can replicate the observed rainfall variability with high skill when forced with the observed record of SST variability. The correlation between observed and modeled indices of Nordeste rainfall, in the AMIP-style integrations with two such models (NSIPP and CCM3) analyzed here, is of the order of 0.8, i.e. the models explain about 2/3 of the observed variability. Assuming that thermodynamic, ocean-atmosphere heat exchange plays the dominant role in tropical Atlantic SST variability on the seasonal to interannual time scale, we analyze its role in Nordeste rainfall predictability using an atmospheric general circulation model coupled to a slab ocean model. Predictability experiments initialized with observed December SST show that thermodynamic coupling plays a significant role in enhancing the persistence of SST anomalies, both in the tropical Pacific and in the tropical Atlantic. We show that thermodynamic coupling is sufficient to provide fairly accurate forecasts of tropical Atlantic SST in the boreal spring that are significantly better than the persistence forecasts. The consequences for the prediction of Nordeste rainfall are analyzed.
Electron-Mediated Phonon-Phonon Coupling Drives the Vibrational Relaxation of CO on Cu(100)
Novko, D.; Alducin, M.; Juaristi, J. I.
2018-04-01
We bring forth a consistent theory for the electron-mediated vibrational intermode coupling that clarifies the microscopic mechanism behind the vibrational relaxation of adsorbates on metal surfaces. Our analysis points out the inability of state-of-the-art nonadiabatic theories to quantitatively reproduce the experimental linewidth of the CO internal stretch mode on Cu(100) and it emphasizes the crucial role of the electron-mediated phonon-phonon coupling in this regard. The results demonstrate a strong electron-mediated coupling between the internal stretch and low-energy CO modes, but also a significant role of surface motion. Our nonadiabatic theory is also able to explain the temperature dependence of the internal stretch phonon linewidth, thus far considered a sign of the direct anharmonic coupling.
Zou, Hong-Xiang; Zhang, Wen-Ming; Li, Wen-Bo; Wei, Ke-Xiang; Hu, Kai-Ming; Peng, Zhi-Ke; Meng, Guang
2018-03-01
The combination of nonlinear bistable and flextensional mechanisms has the advantages of wide operating frequency and high equivalent piezoelectric constant. In this paper, three magnetically coupled flextensional vibration energy harvesters (MF-VEHs) are designed from three magnetically coupled vibration systems which utilize a magnetic repulsion, two symmetrical magnetic attractions and multi-magnetic repulsions, respectively. The coupled dynamic models are developed to describe the electromechanical transitions. Simulations under harmonic excitation and random excitation are carried out to investigate the performance of the MF-VEHs with different parameters. Experimental validations of the MF-VEHs are performed under different excitation levels. The experimental results verify that the developed mathematical models can be used to accurately characterize the MF-VEHs for various magnetic coupling modes. A comparison of three MF-VEHs is provided and the results illustrate that a reasonable arrangement of multiple magnets can reduce the threshold excitation intensity and increase the harvested energy.
Directory of Open Access Journals (Sweden)
Dirk Hagelstein
2000-01-01
Full Text Available The increased use of small gas turbines and turbochargers in different technical fields has led to the development of highly-loaded centrifugal compressors with extremely thin blades. Due to high rotational speed and the correspondingly high centrifugal loads, the shape of the impeller hub must also be optimized. This has led to a reduction of the thickness of the impeller disc in the outlet region. The thin parts of the impeller are very sensitive and may be damaged by the excitation of dangerous blade vibrations.
Magnetoelectric coupling of a magnetoelectric flux gate sensor in vibration noise circumstance
Directory of Open Access Journals (Sweden)
Zhaoqiang Chu
2018-01-01
Full Text Available A magnetoelectric (ME flux gate sensor (MEFGS consisting of piezoelectric PMN-PT single crystals and ferromagnetic amorphous alloy ribbon in a self-differential configuration is featured with the ability of weak magnetic anomaly detection. Here, we further investigated its ME coupling and magnetic field detection performance in vibration noise circumstance, including constant frequency, impact, and random vibration noise. Experimental results show that the ME coupling coefficient of MEFGS is as high as 5700 V/cm*Oe at resonant frequency, which is several orders magnitude higher than previously reported differential ME sensors. It was also found that under constant and impact vibration noise circumstance, the noise reduction and attenuation factor of MEFGS are over 17 and 85.7%, respectively. This work is important for practical application of MEFGS in real environment.
Thermodynamic coupling of heat and matter flows in near-field regions of nuclear waste repositories
International Nuclear Information System (INIS)
Carnahan, C.L.
1983-11-01
In near-field regions of nuclear waste repositories, thermodynamically coupled flows of heat and matter can occur in addition to the independent flows in the presence of gradients of temperature, hydraulic potential, and composition. The following coupled effects can occur: thermal osmosis, thermal diffusion, chemical osmosis, thermal filtration, diffusion thermal effect, ultrafiltration, and coupled diffusion. Flows of heat and matter associated with these effects can modify the flows predictable from the direct effects, which are expressed by Fourier's law, Darcy's law, and Fick's law. The coupled effects can be treated quantitatively together with the direct effects by the methods of the thermodynamics of irreversible processes. The extent of departure of fully coupled flows from predictions based only on consideration of direct effects depends on the strengths of the gradients driving flows, and may be significant at early times in backfills and in near-field geologic environments of repositories. Approximate calculations using data from the literature and reasonable assumptions of repository conditions indicate that thermal-osmotic and chemical-osmotic flows of water in semipermeable backfills may exceed Darcian flows by two to three orders of magnitude, while flows of solutes may be reduced greatly by ultrafiltration and chemical osmosis, relative to the flows predicted by advection and diffusion alone. In permeable materials, thermal diffusion may contribute to solute flows to a smaller, but still significant, extent
Influence of delayed excitation on vibrations of turbine blades couple
Czech Academy of Sciences Publication Activity Database
Půst, Ladislav; Pešek, Luděk
2013-01-01
Roč. 7, č. 1 (2013), s. 39-52 ISSN 1802-680X R&D Projects: GA ČR GA101/09/1166 Institutional support: RVO:61388998 Keywords : time delay * phase delay * blades couple * amplitude reduction * dry friction Subject RIV: BI - Acoustics
Nonlinear thermoelectric properties of molecular junctions with vibrational coupling
DEFF Research Database (Denmark)
Leijnse, Martin Christian; Wegewijs, M. R.; Flensberg, Karsten
2010-01-01
exchange with both electrodes, investigating how these contribute to the heat and charge transports. We calculate the efficiency and power output of the device operated as a heat to electric power converter in the regime of weak tunnel coupling and phonon exchange rate and identify the optimal operating...
DEFF Research Database (Denmark)
Faber, Rasmus; Sauer, Stephan P. A.
2015-01-01
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 ...
Kinetics of highly vibrationally excited O2(X) molecules in inductively-coupled oxygen plasmas
Annušová, Adriana; Marinov, Daniil; Booth, Jean-Paul; Sirse, Nishant; Lino da Silva, Mário; Lopez, Bruno; Guerra, Vasco
2018-04-01
The high degree of vibrational excitation of O2 ground state molecules recently observed in inductively coupled plasma discharges is investigated experimentally in more detail and interpreted using a detailed self-consistent 0D global kinetic model for oxygen plasmas. Additional experimental results are presented and used to validate the model. The vibrational kinetics considers vibrational levels up to v = 41 and accounts for electron impact excitation and de-excitation (e-V), vibration-to-translation relaxation (V-T) in collisions with O2 molecules and O atoms, vibration-to-vibration energy exchanges (V-V), excitation of electronically excited states, dissociative electron attachment, and electron impact dissociation. Measurements were performed at pressures of 10–80 mTorr (1.33 and 10.67 Pa) and radio frequency (13.56 MHz) powers up to 500 W. The simulation results are compared with the absolute densities in each O2 vibrational level obtained by high sensitivity absorption spectroscopy measurements of the Schumann–Runge bands for O2(X, v = 4–18), O(3 P) atom density measurements by two-photon absorption laser induced fluorescence (TALIF) calibrated against Xe, and laser photodetachment measurements of the O‑ negative ions. The highly excited O2(X, v) distribution exhibits a shape similar to a Treanor-Gordiets distribution, but its origin lies in electron impact e-V collisions and not in V-V up-pumping, in contrast to what happens in all other molecular gases known to date. The relaxation of vibrational quanta is mainly due to V-T energy-transfer collisions with O atoms and to electron impact dissociation of vibrationally excited molecules, e+O2(X, v)→O(3P)+O(3P).
Vibration Problems of Rotating Machinery due to Coupling Misalignments
1988-05-01
driven couplings in which parallel but radially offset shafts are Joined, quite often through speed increasing or decreasing wheel ratios; 3) flexible...specified as offset or total indicator runout (TIR). Offset is defined as the amount one shaft is physically displaced from its *truely" aligned...position when measured from the other 0 shaft. Total indicator runout is the difference in dial indicator readings taken in a particular plane when the
Vibrational Mode-Specific Autodetachment and Coupling of CH2CN-
Lyle, Justin; Mabbs, Richard
2017-06-01
The Cyanomethyl Anion, CH_{2}CN-, and neutral radical have been studied extensively, with several findings of autodetachment about the totally symmetric transition, as well as high resolution experiments revealing symmetrically forbidden and weak vibrational features. We report photoelectron spectra using the Velocity-Mapped Imaging Technique in 1-2 \\wn increments over a range of 13460 to 15384 \\wn that has not been previously examined. These spectra include excitation of the ground state cyanomethyl anion into the direct detachment thresholds of previously reported vibrational modes for the neutral radical. Significant variations from Franck-Condon behavior were observed in the branching ratios for resolved vibrational features for excitation in the vicinity of the thresholds involving the νb{3} and νb{5} modes. These are consistent with autodetachment from rovibrational levels of a dipole bound state acting as a resonance in the detachment continuum. The autodetachment channels involve single changes in vibrational quantum number, consistent with the vibrational propensity rule but in some cases reveal relaxation to a different vibrational mode indicating coupling between the modes and/or a breakdown of the normal mode approximation.
Coupled lateral-torsional-axial vibrations of a helical gear-rotor-bearing system
Li, Chao-Feng; Zhou, Shi-Hua; Liu, Jie; Wen, Bang-Chun
2014-10-01
Considering the axial and radial loads, a mathematical model of angular contact ball bearing is deduced with Hertz contact theory. With the coupling effects of lateral, torsional and axial vibrations taken into account, a lumped-parameter nonlinear dynamic model of helical gearrotor-bearing system (HGRBS) is established to obtain the transmission system dynamic response to the changes of different parameters. The vibration differential equations of the drive system are derived through the Lagrange equation, which considers the kinetic and potential energies, the dissipative function and the internal/external excitation. Based on the Runge-Kutta numerical method, the dynamics of the HGRBS is investigated, which describes vibration properties of HGRBS more comprehensively. The results show that the vibration amplitudes have obvious fluctuation, and the frequency multiplication and random frequency components become increasingly obvious with changing rotational speed and eccentricity at gear and bearing positions. Axial vibration of the HGRBS also has some fluctuations. The bearing has self-variable stiffness frequency, which should be avoided in engineering design. In addition, the bearing clearance needs little attention due to its slightly discernible effect on vibration response. It is suggested that a careful examination should be made in modelling the nonlinear dynamic behavior of a helical gear-rotor-bearing system.
Similarity-transformed equation-of-motion vibrational coupled-cluster theory
Faucheaux, Jacob A.; Nooijen, Marcel; Hirata, So
2018-02-01
A similarity-transformed equation-of-motion vibrational coupled-cluster (STEOM-XVCC) method is introduced as a one-mode theory with an effective vibrational Hamiltonian, which is similarity transformed twice so that its lower-order operators are dressed with higher-order anharmonic effects. The first transformation uses an exponential excitation operator, defining the equation-of-motion vibrational coupled-cluster (EOM-XVCC) method, and the second uses an exponential excitation-deexcitation operator. From diagonalization of this doubly similarity-transformed Hamiltonian in the small one-mode excitation space, the method simultaneously computes accurate anharmonic vibrational frequencies of all fundamentals, which have unique significance in vibrational analyses. We establish a diagrammatic method of deriving the working equations of STEOM-XVCC and prove their connectedness and thus size-consistency as well as the exact equality of its frequencies with the corresponding roots of EOM-XVCC. We furthermore elucidate the similarities and differences between electronic and vibrational STEOM methods and between STEOM-XVCC and vibrational many-body Green's function theory based on the Dyson equation, which is also an anharmonic one-mode theory. The latter comparison inspires three approximate STEOM-XVCC methods utilizing the common approximations made in the Dyson equation: the diagonal approximation, a perturbative expansion of the Dyson self-energy, and the frequency-independent approximation. The STEOM-XVCC method including up to the simultaneous four-mode excitation operator in a quartic force field and its three approximate variants are formulated and implemented in computer codes with the aid of computer algebra, and they are applied to small test cases with varied degrees of anharmonicity.
Stability analysis of coupled torsional vibration and pressure in oilwell drillstring system
Toumi, S.; Beji, L.; Mlayeh, R.; Abichou, A.
2018-01-01
To address security issues in oilwell drillstring system, the drilling operation handling which is in generally not autonomous but ensured by an operator may be drill bit destructive or fatal for the machine. To control of stick-slip phenomenon, the drillstring control at the right speed taking only the drillstring vibration is not sufficient as the mud dynamics and the pressure change around the drill pipes cannot be neglected. A coupled torsional vibration and pressure model is presented, and the well-posedness problem is addressed. As a Partial Differential Equation-Ordinary Differential Equation (PDE-ODE) coupled system, and in order to maintain a non destructive downhole pressure, we investigate the control stability with and without the damping term in the wave PDE. In terms of, the torsional variable, the downhole pressure, and the annulus pressure, the coupled system equilibrium is shown to be exponentially stable.
International Nuclear Information System (INIS)
Schröter, M.; Ivanov, S.D.; Schulze, J.; Polyutov, S.P.; Yan, Y.; Pullerits, T.; Kühn, O.
2015-01-01
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
Coupled Boundary and Finite Element Analysis of Vibration from Railway Tunnels
DEFF Research Database (Denmark)
Andersen, Lars; Jones, C.J.C.
2006-01-01
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...... body vibration (about 4 to 80 Hz). A coupled finite element and boundary element scheme is applied in both two and three dimensions. Two tunnel designs are considered: a cut-and-cover tunnel for a double track and a single-track tunnel dug with the New Austrian Tunnelling Method (NATM)....
Fluid-structure coupling between a vibrating cylinder and a narrow annular flow
International Nuclear Information System (INIS)
Perotin, L.
1994-01-01
This paper presents an analytical investigation of the fluidelastic coupling between an axial annular flow and a flexible vibrating axisymmetrical structure. The model presented is suited to single-phase, incompressible, viscous fluids and to annular flows of variable cross-section, axially symmetrical when the structure is motionless.An experimental validation of this model is presented at the end of the paper: the results obtained with the numerical model are compared with experimental data for an oscillating cylinder free to vibrate under the effect of a variable-cross-section annular flow. ((orig.))
International Nuclear Information System (INIS)
Zhang Ruijie; Jing Tao; Jie Wanqi; Liu Baicheng
2006-01-01
To simulate quantitatively the microstructural evolution in the solidification process of multicomponent alloys, we extend the phase-field model for binary alloys to multicomponent alloys with consideration of the solute interactions between different species. These interactions have a great influence not only on the phase equilibria but also on the solute diffusion behaviors. In the model, the interface region is assumed to be a mixture of solid and liquid with the same chemical potential, but with different compositions. The simulation presented is coupled with thermodynamic and diffusion mobility databases, which can accurately predict the phase equilibria and the solute diffusion transportation in the whole system. The phase equilibria in the interface and other thermodynamic quantities are obtained using Thermo-Calc through the TQ interface. As an example, two-dimensional computations for the dendritic growth in Al-Cu-Mg ternary alloy are performed. The quantitative solute distributions and diffusion matrix are obtained in both solid and liquid phases
Energy Technology Data Exchange (ETDEWEB)
Coban, Cansu [Balikesir Univ. (Turkey). Dept. of Physics
2017-07-01
The pressure dependent behaviour of the structural, electronic, mechanical, vibrational, and thermodynamic properties of Pd{sub 2}TiX (X=Ga, In) Heusler alloys was investigated by ab initio calculations. The lattice constant, the bulk modulus and its first pressure derivative, the electronic band structure and the density of states (DOS), mechanical properties such as elastic constants, anisotropy factor, Young's modulus, etc., the phonon dispersion curves and phonon DOS, entropy, heat capacity, and free energy were obtained under pressure. It was determined that the calculated lattice parameters are in good agreement with the literature, the elastic constants obey the stability criterion, and the phonon dispersion curves have no negative frequency which shows that the compounds are stable. The band structures at 0, 50, and 70 GPa showed valence instability at the L point which explains the superconductivity in Pd{sub 2}TiX (X=Ga, In).
Agglomeration of powders with a new-coupled vibration-compaction device
Directory of Open Access Journals (Sweden)
Serris Eric
2017-01-01
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.
Thermodynamic Characterization of Iron Oxide-Aqueous Fe(2+) Redox Couples.
Gorski, Christopher A; Edwards, Rebecca; Sander, Michael; Hofstetter, Thomas B; Stewart, Sydney M
2016-08-16
Iron is present in virtually all terrestrial and aquatic environments, where it participates in redox reactions with surrounding metals, organic compounds, contaminants, and microorganisms. The rates and extent of these redox reactions strongly depend on the speciation of the Fe2+ and Fe3+ phases, although the underlying reasons remain unclear. In particular, numerous studies have observed that Fe2+ associated with iron oxide surfaces (i.e., oxide-associated Fe2+) often reduces oxidized contaminants much faster than aqueous Fe2+ alone. Here, we tested two hypotheses related to this observation by determining if solutions containing two commonly studied iron oxides—hematite and goethite—and aqueous Fe2+ reached thermodynamic equilibrium over the course of a day. We measured reduction potential (EH) values in solutions containing these oxides at different pH values and aqueous Fe2+ concentrations using mediated potentiometry. This analysis yielded standard reduction potential (EH0) values of 768 ± 1 mV for the aqueous Fe2+–goethite redox couple and 769 ± 2 mV for the aqueous Fe2+–hematite redox couple. These values were in excellent agreement with those calculated from existing thermodynamic data, and the data could be explained by the presence of an iron oxide lowering EH values of aqueous Fe3+/Fe2+ redox couples.
Numerical Approach of Coupling Vibration Magneto-convection In Nanofluid
Directory of Open Access Journals (Sweden)
K Syham
2016-06-01
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.
Vibrational Interaction of Two Rotors with Friction Coupling
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H. Larsson
2016-01-01
Full Text Available A lumped parameter model is presented for studying the dynamic interaction between two disks in relative rotational motion and in friction contact. The contact elastic and dissipative characteristics are represented by equivalent stiffness and damping coefficient in the axial as well as torsional direction. The formulation accounts for the coupling between the axial and angular motions by viewing the contact normal force a result of axial behavior of the system. The model is used to investigate stick-slip behavior of a two-disk friction system. In this effort the friction coefficient is represented as an exponentially decaying function of relative angular velocity, varying from its static value at zero relative velocity to its kinetic value at very high velocities. This investigation results in the establishment of critical curve defining two-parameter regions: one in which stick-slip occurs and that in which stick-slip does not occur. Moreover, the onset and termination of stick-slip, when it occurs, are related to the highest component frequency in the system. It is found that stick-slip starts at a period nearly equal to that of the highest component frequency and terminates at a period almost three times that of the highest component frequency.
Torque-coupled thermodynamic model for FoF1 -ATPase
Ai, Guangkuo; Liu, Pengfei; Ge, Hao
2017-05-01
FoF1 -ATPase is a motor protein complex that utilizes transmembrane ion flow to drive the synthesis of adenosine triphosphate (ATP) from adenosine diphosphate (ADP) and phosphate (Pi). While many theoretical models have been proposed to account for its rotary activity, most of them focus on the Fo or F1 portions separately rather than the complex as a whole. Here, we propose a simple but new torque-coupled thermodynamic model of FoF1 -ATPase. Solving this model at steady state, we find that the monotonic variation of each portion's efficiency becomes much more robust over a wide range of parameters when the Fo and F1 portions are coupled together, as compared to cases when they are considered separately. Furthermore, the coupled model predicts the dependence of each portion's kinetic behavior on the parameters of the other. Specifically, the power and efficiency of the F1 portion are quite sensitive to the proton gradient across the membrane, while those of the Fo portion as well as the related Michaelis constants for proton concentrations respond insensitively to concentration changes in the reactants of ATP synthesis. The physiological proton gradient across the membrane in the Fo portion is also shown to be optimal for the Michaelis constants of ADP and phosphate in the F1 portion during ATP synthesis. Together, our coupled model is able to predict key dynamic and thermodynamic features of the FoF1 -ATPase in vivo semiquantitatively, and suggests that such coupling approach could be further applied to other biophysical systems.
Relationships for electron-vibrational coupling in conjugated π organic systems
O'Neill, L.; Lynch, P.; McNamara, M.; Byrne, H. J.
2005-06-01
A series of π conjugated systems were studied by absorption, photoluminescence and vibrational spectroscopy. As is common for these systems, a linear relationship between the positioning of the absorption and photoluminescence maxima plotted against inverse conjugation length is observed. The relationships are in good agreement with the simple particle in a box method, one of the earliest descriptions of the properties of one-dimensional organic molecules. In addition to the electronic transition energies, it was observed that the Stokes shift also exhibited a well-defined relationship with increasing conjugation length, implying a correlation between the electron-vibrational coupling and chain length. This correlation is further examined using Raman spectroscopy, whereby the integrated Raman scattering is seen to behave superlinearly with chain length. There is a clear indication that the vibrational activity and thus nonradiative decay processes are controllable through molecular structure. The correlations between the Stokes energies and the vibrational structure are also observed in a selection of PPV based polymers and a clear trend of increasing luminescence efficiency with decreasing vibrational activity and Stokes shift is observable. The implications of such structure property relationships in terms of materials design are discussed.
A Coupling Vibration Test Bench and the Simulation Research of a Maglev Vehicle
Directory of Open Access Journals (Sweden)
Weihua Ma
2015-01-01
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.
Gauss-Bonnet coupling constant as a free thermodynamical variable and the associated criticality
International Nuclear Information System (INIS)
Xu, Wei; Xu, Hao; Zhao, Liu
2014-01-01
The thermodynamic phase space of Gauss-Bonnet (GB) AdS black holes is extended, taking the inverse of the GB coupling constant as a new thermodynamic pressure P GB . We studied the critical behavior associated with P GB in the extended thermodynamic phase space at fixed cosmological constant and electric charge. The result shows that when the black holes are neutral, the associated critical points can only exist in five dimensional GB-AdS black holes with spherical topology, and the corresponding critical exponents are identical to those for the Van der Waals system. For charged GB-AdS black holes, it is shown that there can be only one critical point in five dimensions (for black holes with either spherical or hyperbolic topologies), which also requires the electric charge to be bounded within some appropriate range; while in d < 5 dimensions, there can be up to two different critical points at the same electric charge, and the phase transition can occur only at temperatures which are not in between the two critical values. (orig.)
Modeling of thermodynamic properties of refrigerant/absorbent couples using data mining process
International Nuclear Information System (INIS)
Sencan, Arzu
2007-01-01
In this paper, in order to determine thermodynamic properties of two alternative refrigerant/absorbent couples (methanol/LiBr and methanol/LiCl), a data mining process was used. These fluid couples can be used in absorption heat pump systems, and their main advantage is that they do not cause ozone depletion. In order to train the network, limited experimental measurements were used as training and test data. In the present study, linear regression (LR), pace regression (PR), sequential minimal optimization (SMO), M5 model tree, M5'Rules and back propagation neural network (BPNN) models are applied within the data mining process for determining the specific volume of the methanol/LiBr and methanol/LiCl fluid couples. The best result was obtained by using the back propagation model. A new formulation is presented for determination of the specific volumes of the two refrigerant/absorbent couples. The use of this new formulation, which can be employed with any programming language or spreadsheet program for estimation of the specific volumes of fluid couples, as described in this paper, may make the use of dedicated BPNN software unnecessary
International Nuclear Information System (INIS)
Weaver, M.J.; Nettles, S.M.
1980-01-01
The effects of substituting D 2 O for H 2 O as solvent upon the formal potentials of a number of transition-metal redox couples containing aquo, ammine, and simple chelating ligands have been investigated with the intention of evaluating the importance of specific solvation factors in the thermodynamics of such couples. The solvent liquid junction formed between H 2 O and D 2 O was shown to have a negligible effect on the measured formal potentials. Substantial solvent isotope effects were observed for a number of these systems, particularly for couples containing aquo ligands. The effects of separately deuterating the ligands and the surrounding solvent were investigated for some ammine couples. Possible origins of the solvent isotope effects are discussed in terms of changes in metal-ligand and ligand-solvent interactions. It is tentatively concluded that the latter influence provides the predominant contribution to the observed effects for aquo couples arising from increases in the extent of hydrogen bonding between the aquo ligands and surrounding solvent when D 2 O replaces H 2 O. The implications of these results in unraveling the solvent isotope effects upon the kinetics of simple redox reactions are also considered
Thermodynamics of de Sitter black holes with a conformally coupled scalar field
International Nuclear Information System (INIS)
Barlow, Anne-Marie; Doherty, Daniel; Winstanley, Elizabeth
2005-01-01
We study the thermodynamics of de Sitter black holes with a conformally coupled scalar field. The geometry is that of the lukewarm Reissner-Nordstroem-de Sitter black holes, with the event and cosmological horizons at the same temperature. This means that the region between the event and cosmological horizons can form a regular Euclidean instanton. The entropy is modified by the nonminimal coupling of the scalar field to the geometry, but can still be derived from the Euclidean action, provided suitable modifications are made to deal with the electrically charged case. We use the first law as derived from the isolated horizons formalism to compute the local horizon energies for the event and cosmological horizons
Vibrational Averaging of the Isotropic Hyperfine Coupling Constants for the Methyl Radical
Adam, Ahmad; Jensen, Per; Yachmenev, Andrey; Yurchenko, Sergei N.
2014-06-01
Electronic contributions to molecular properties are often considered as the major factor and usually reported in the literature without ro-vibrational corrections. However, there are many cases where the nuclear motion contributions are significant and even larger than the electronic contribution. In order to obtain accurate theoretical predictions, nuclear motion effects on molecular properties need to be taken into account. The computed isotropic hyperfine coupling constants for the nonvibrating methyl radical CH_3 are far from the experimental values. For CH_3, we have calculated the vibrational-state-dependence of the isotropic hyperfine coupling constant in the electronic ground state. The vibrational wavefunctions used in the averaging procedure were obtained variationally with the TROVE program. Analytical representations for the potential energy surfaces and the hyperfine coupling constant surfaces are obtained in least-squares fitting procedures. Thermal averaging has been carried out for molecules in thermal equilibrium, i.e., with Boltzmann-distributed populations. The calculation methods and the results will be discussed in detail.
Folding-type coupling potentials in the context of the generalized rotation-vibration model
Chamon, L. C.; Morales Botero, D. F.
2018-03-01
The generalized rotation-vibration model was proposed in previous works to describe the structure of heavy nuclei. The model was successfully tested in the description of experimental results related to the electron-nucleus elastic and inelastic scattering. In the present work, we consider heavy-ion collisions and assume this model to calculate folding-type coupling potentials for inelastic states, through the corresponding transition densities. As an example, the method is applied to coupled-channel data analyses for the α + 70,72,74,76Ge systems.
Coupled analysis of multi-impact energy harvesting from low-frequency wind induced vibrations
Zhu, Jin; Zhang, Wei
2015-04-01
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
On the Nonlinear Behavior of the Piezoelectric Coupling on Vibration-Based Energy Harvesters
Directory of Open Access Journals (Sweden)
Luciana L. Silva
2015-01-01
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.
International Nuclear Information System (INIS)
Zhou, Shengxi; Cao, Junyi; Wang, Wei; Liu, Shengsheng; Lin, Jing
2015-01-01
This paper presents a nonlinear doubly magnet-coupled energy harvesting system (DMEHS) which could exhibit co-bistable and monostable dynamic characteristics. Its various characteristic responses induced by the magnetic force can be conveniently obtained using the adjustable horizontal distance between two coupled harvesters in the DMEHS. In the case of appropriate relative positions, the DMEHS appears in a co-bistable structure which is different from the traditional bistable structure. Additionally, both the inclination angle of endmost magnets and the displacement perpendicular to the vibration direction are taken into account to calculate the nonlinear magnetic force in the nonlinear electromechanical equations. The numerical investigations show good agreement with experimental results with respect to the output voltage response. Each harvester without magnetic coupling is tested independently to compare with the DMEHS. Both numerical and experimental results also demonstrate the frequency bandwidth and performance enhancements by changing the horizontal distance between the two coupled harvesters. (paper)
Modeling the benefits of an artificial gravity countermeasure coupled with exercise and vibration
Goel, Rahul; Kaderka, Justin; Newman, Dava
2012-01-01
The current, system-specific countermeasures to space deconditioning have limited success with the musculoskeletal system in long duration missions. Artificial gravity (AG) that is produced by short radius centrifugation has been hypothesized as an effective countermeasure because it reintroduces an acceleration field in space; however, AG alone might not be enough stimuli to preserve the musculoskeletal system. A novel combination of AG coupled with one-legged squats on a vibrating platform may preserve muscle and bone in the lower limbs to a greater extent than the current exercise paradigm. The benefits of the proposed countermeasure have been analyzed through the development of a simulation platform. Ground reaction force data and motion data were collected using a motion capture system while performing one-legged and two-legged squats in 1-G. The motion was modeled in OpenSim, an open-source software, and inverse dynamics were applied in order to determine the muscle and reaction forces of lower limb joints. Vibration stimulus was modeled by adding a 20 Hz sinusoidal force of 0.5 body weight to the force plate data. From the numerical model in a 1-G acceleration field, muscle forces for quadriceps femoris, plantar flexors and glutei increased substantially for one-legged squats with vibration compared to one- or two-legged squats without vibration. Additionally, joint reaction forces for one-legged squats with vibration also increased significantly compared to two-legged squats with or without vibration. Higher muscle forces and joint reaction forces might help to stimulate muscle activation and bone modeling and thus might reduce musculoskeletal deconditioning. These results indicate that the proposed countermeasure might surpass the performance of the current space countermeasures and should be further studied as a method of mitigating musculoskeletal deconditioning.
Heyden, Matthias; Sun, Jian; Forbert, Harald; Mathias, Gerald; Havenith, Martina; Marx, Dominik
2012-08-16
The combination of vibrational spectroscopy and molecular dynamics simulations provides a powerful tool to obtain insights into the molecular details of water structure and dynamics in the bulk and in aqueous solutions. Applying newly developed approaches to analyze correlations of charge currents, molecular dipole fluctuations, and vibrational motion in real and k-space, we compare results from nonpolarizable water models, widely used in biomolecular modeling, to ab initio molecular dynamics. For the first time, we unfold the infrared response of bulk water into contributions from correlated fluctuations in the three-dimensional, anisotropic environment of an average water molecule, from the OH-stretching region down to the THz regime. Our findings show that the absence of electronic polarizability in the force field model not only results in differences in dipolar couplings and infrared absorption but also induces artifacts into the correlated vibrational motion between hydrogen-bonded water molecules, specifically at the intramolecular bending frequency. Consequently, vibrational motion is partially ill-described with implications for the accuracy of non-self-consistent, a posteriori methods to add polarizability.
International Nuclear Information System (INIS)
Soezen, Adnan; Arcaklioglu, Erol; Oezalp, Mehmet
2005-01-01
This paper presents a new approach based on artificial neural networks (ANNs) to determine the properties of liquid and two phase boiling and condensing of two alternative refrigerant/absorbent couples (methanol/LiBr and methanol/LiCl). These couples do not cause ozone depletion and use in the absorption thermal systems (ATSs). ANNs are able to learn the key information patterns within multidimensional information domain. ANNs operate such as a 'black box' model, requiring no detailed information about the system. On the other hand, they learn the relationship between the input and the output. In order to train the neural network, limited experimental measurements were used as training data and test data. In this study, in input layer, there are temperatures in the range of 298-498 K, pressures (0.1-40 MPa) and concentrations of 2%, 7%, 12% of the couples; specific volume is in output layer. The back-propagation learning algorithm with three different variants, namely scaled conjugate gradient (SCG), Pola-Ribiere conjugate gradient (CGP), and Levenberg-Marquardt (LM), and logistic sigmoid transfer function were used in the network so that the best approach can find. The most suitable algorithm and neuron number in the hidden layer are found as SCG with 8 neurons. For this number level, after the training, it is found that maximum error is less than 3%, average error is about 1% and R 2 value are 99.999%. As seen from the results obtained the thermodynamic equations for each pair by using the weights of network have been obviously predicted within acceptable errors. This paper shows that values predicted with ANN can be used to define the thermodynamic properties instead of approximate and complex analytic equations
Natural Frequncies of Coupled Blade-Bending and Shaft-Torsional Vibrations
Directory of Open Access Journals (Sweden)
B.O. Al-Bedoor
2007-01-01
Full Text Available In this study, the coupled shaft-torsional and blade-bending natural frequencies are investigated using a reduced order mathematical model. The system-coupled model is developed using the Lagrangian approach in conjunction with the assumed modes method to discretize the blade bending deflection. The model accounts for the blade stagger (setting angle, the system rotating speed and its induced stiffening effect. The coupled equations of motion are linearized based on the small deformation theory for the blade bending and shaft torsional deformation to enable calculation of the system natural frequencies for various combinations of system parameters. The obtained coupled eignvalue system is ready for use as a reference for comparison for larger size finite element simulations and for the use as a fast check on natural frequencies for the coupled blade bending and shaft torsional vibrations in the design and diagnostics processes. Some results on the predicted natural frequencies are graphically presented and discussed pertinent to the coupling controlling factors and their effects. In addition, the predicted coupled natural frequencies are validated using the Finite Element Commercial Package (Pro-Mechanica where good agreements are found.
International Nuclear Information System (INIS)
Suarez Antola, R.
2008-11-01
The cores of nuclear reactors, including its structural parts and cooling fluids, are complex mechanical systems able to vibrate in a set of normal modes and frequencies, if suitable perturbed. The cyclic variations in the strain state of the core materials may produce changes in density. Changes in density modify the reactivity. Changes in reactivity modify thermal power. Modifications in thermal power produce variations in temperature fields. Variations in temperature produce variations in strain due to thermal-elastic effects. If the variation of the temperature field is fast enough and if the Doppler Effect and other stabilizing prompt effects in the fuel are weak enough, a fast oscillatory instability could be produced, coupled with mechanical vibrations of small amplitude. A recently constructed, simple mathematical model of nuclear reactor kinetics, that improves the one due to A.S. Thompson, is reviewed. It was constructed in order to study, in a first approximation, the stability of the reactor: a nonlinear nuclear-thermal oscillator (that corresponds to reactor point kinetics with thermal-elastic feedback and with frozen delayed neutron effects) is coupled nonlinearly with a linear mechanical-thermal oscillator (that corresponds to the first normal mode of mechanical vibrations excited by thermo-elastic effects). This mathematical model is studied here from the standpoint of mechanical vibrations. It is shown how, under certain conditions, a suitable mechanical perturbation could elicit fast and growing oscillatory instabilities in the reactor power. Applying the asymptotic method due to Krylov, Bogoliubov and Mitropolsky, analytical formulae that may be used in the calculation of the time varying amplitude and phase of the mechanical oscillations are given, as functions of the mechanical, thermal and nuclear parameters of the reactor. The consequences for the mechanical integrity of the reactor are assessed. Some conditions, mainly, but not exclusively
International Nuclear Information System (INIS)
Sencan, Arzu; Kalogirou, Soteris A.
2005-01-01
This paper presents a new approach using artificial neural networks (ANN) to determine the thermodynamic properties of two alternative refrigerant/absorbent couples (LiCl-H 2 O and LiBr + LiNO 3 + LiI + LiCl-H 2 O). These pairs can be used in absorption heat pump systems, and their main advantage is that they do not cause ozone depletion. In order to train the network, limited experimental measurements were used as training and test data. Two feedforward ANNs were trained, one for each pair, using the Levenberg-Marquardt algorithm. The training and validation were performed with good accuracy. The correlation coefficient obtained when unknown data were applied to the networks was 0.9997 and 0.9987 for the two pairs, respectively, which is very satisfactory. The present methodology proved to be much better than linear multiple regression analysis. Using the weights obtained from the trained network, a new formulation is presented for determination of the vapor pressures of the two refrigerant/absorbent couples. The use of this new formulation, which can be employed with any programming language or spreadsheet program for estimation of the vapor pressures of fluid couples, as described in this paper, may make the use of dedicated ANN software unnecessary
Coupling a thermodynamically active ice shelf to a regional simulation of the Weddell Sea
Directory of Open Access Journals (Sweden)
V. Meccia
2013-08-01
Full Text Available A thermodynamically interactive ice shelf cavity parameterization is coupled to the Regional Ocean Model System (ROMS and is applied to the Southern Ocean domain with enhanced resolution in the Weddell Sea. This implementation is tested in order to assess its degree of improvement to the hydrography (and circulation of the Weddell Sea. Results show that the inclusion of ice shelf cavities in the model is feasible and somewhat realistic (considering the lack of under-ice observations for validation. Ice shelf–ocean interactions are an important process to be considered in order to obtain realistic hydrographic values under the ice shelf. The model framework presented in this work is a promising tool for analyzing the Southern Ocean's response to future climate change scenarios.
Directory of Open Access Journals (Sweden)
Takashi Arima
2018-04-01
Full Text Available After summarizing the present status of Rational Extended Thermodynamics (RET of gases, which is an endeavor to generalize the Navier–Stokes and Fourier (NSF theory of viscous heat-conducting fluids, we develop the molecular RET theory of rarefied polyatomic gases with 15 independent fields. The theory is justified, at mesoscopic level, by a generalized Boltzmann equation in which the distribution function depends on two internal variables that take into account the energy exchange among the different molecular modes of a gas, that is, translational, rotational, and vibrational modes. By adopting the generalized Bhatnagar, Gross and Krook (BGK-type collision term, we derive explicitly the closed system of field equations with the use of the Maximum Entropy Principle (MEP. The NSF theory is derived from the RET theory as a limiting case of small relaxation times via the Maxwellian iteration. The relaxation times introduced in the theory are shown to be related to the shear and bulk viscosities and heat conductivity.
Forced vibration and wave propagation in mono-coupled periodic structures
DEFF Research Database (Denmark)
Ohlrich, Mogens
1986-01-01
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...... 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...... of the determination of the junction-receptance. The influence of such a disorder is illustrated by a simple example...
Study on Nonlinear Vibration and Crack Fault of Rotor-bearing-seal Coupling System
Directory of Open Access Journals (Sweden)
Yuegang LUO
2014-02-01
Full Text Available The nonlinear dynamic model of rotor-bearing-seal system with crack in shaft is set up based on the coupling model of nonlinear oil-film force and Muszyska’s nonlinear seal fluid force. The dynamic vibration characteristics of the rotor-bearing-seal system and the effects of physical and structural parameters of labyrinth seal and crack fault on movement character of the rotor were analyzed. The increases of seal length, seal pressure differential, seal radius and axial velocity are in favor of the stability of the system, and it of seal gap and crack depth are not in favor of the stability of the system.
Zhou, Shihua; Song, Guiqiu; Sun, Maojun; Ren, Zhaohui; Wen, Bangchun
2018-01-01
In order to analyze the nonlinear dynamics and stability of a novel design for the monowheel inclined vehicle-vibration platform coupled system (MIV-VPCS) with intermediate nonlinearity support subjected to a harmonic excitation, a multi-degree of freedom lumped parameter dynamic model taking into account the dynamic interaction of the MIV-VPCS with quadratic and cubic nonlinearities is presented. The dynamical equations of the coupled system are derived by applying the displacement relationship, interaction force relationship at the contact position and Lagrange's equation, which are further discretized into a set of nonlinear ordinary differential equations with coupled terms by Galerkin's truncation. Based on the mathematical model, the coupled multi-body nonlinear dynamics of the vibration system is investigated by numerical method, and the parameters influences of excitation amplitude, mass ratio and inclined angle on the dynamic characteristics are precisely analyzed and discussed by bifurcation diagram, Largest Lyapunov exponent and 3-D frequency spectrum. Depending on different ranges of system parameters, the results show that the different motions and jump discontinuity appear, and the coupled system enters into chaotic behavior through different routes (period-doubling bifurcation, inverse period-doubling bifurcation, saddle-node bifurcation and Hopf bifurcation), which are strongly attributed to the dynamic interaction of the MIV-VPCS. The decreasing excitation amplitude and inclined angle could reduce the higher order bifurcations, and effectively control the complicated nonlinear dynamic behaviors under the perturbation of low rotational speed. The first bifurcation and chaotic motion occur at lower value of inclined angle, and the chaotic behavior lasts for larger intervals with higher rotational speed. The investigation results could provide a better understanding of the nonlinear dynamic behaviors for the dynamic interaction of the MIV-VPCS.
Validation of vibration-dissociation coupling models in hypersonic non-equilibrium separated flows
Shoev, G.; Oblapenko, G.; Kunova, O.; Mekhonoshina, M.; Kustova, E.
2018-03-01
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.
Coupled vibration study of the blade of the flexible wind wheel with the low-speed shafting
International Nuclear Information System (INIS)
Su, L Y; Zhao, R Z; Liu, H; Meng, Z R
2013-01-01
Movement and deformation of flexible wind wheel has a profound effect on dynamics of the low-speed shafting in Megawatt wind turbine. The paper is based on the power production1.2 MW wind turbine, vibration characteristics of elastic wind wheel with the low-speed shafting were studied. In order to obtain the finite element model, the author created a physical model of this coupled system and used the minimum energy principle to simplify the model. While its single blade simplified as cantilever. Using modal superposition method for solving the coupled system model. Structural mechanics equations were used to solve the simple blade finite element model. Analyzing the natural frequency of the coupled system and the stress diagram, the results indicate that in the coupling system, low frequency vibration occurs in the low-speed shaft bearing, while the high-frequency vibration happens on wind turbine blades. In the low-frequency vibration process, blades vibration and low-speed shaft vibration there is a strong correlation. Contrast inherent frequency of the wind wheel with natural frequency of a single blade, the results show that the frequency of the wind wheel slightly less than it in the single blade
Black hole thermodynamics, conformal couplings, and R{sup 2} terms
Energy Technology Data Exchange (ETDEWEB)
Chernicoff, Mariano [Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México,A.P. 70-542, México D.F. 04510 (Mexico); Galante, Mario [Departamento de Física, Universidad de Buenos Aires and IFIBA-CONICET,Ciudad Universitaria, pabellón 1 (1428) Buenos Aires (Argentina); Van Swidenderen Institute for Particle Physics and Gravity, University of Groningen,Nijenborgh 4, 9747 AG Groningen (Netherlands); Giribet, Gaston [Departamento de Física, Universidad de Buenos Aires and IFIBA-CONICET,Ciudad Universitaria, pabellón 1 (1428) Buenos Aires (Argentina); Université Libre de Bruxelles and International Solvay Institutes,Campus Plaine C.P. 231 B-1050, Bruxelles (Belgium); Instituto de Física, Pontificia Universidad Católica de Valparaíso,Casilla 4950, Valparaíso (Chile); Goya, Andres; Leoni, Matias [Departamento de Física, Universidad de Buenos Aires and IFIBA-CONICET,Ciudad Universitaria, pabellón 1 (1428) Buenos Aires (Argentina); Oliva, Julio [Departamento de Física, Universidad de Concepción,Casilla 160-C, Concepción (Chile); Perez-Nadal, Guillem [Departamento de Física, Universidad de Buenos Aires and IFIBA-CONICET,Ciudad Universitaria, pabellón 1 (1428) Buenos Aires (Argentina)
2016-06-27
Lovelock theory provides a tractable model of higher-curvature gravity in which several questions can be studied analytically. This is the reason why, in the last years, this theory has become the favorite arena to study the effects of higher-curvature terms in the context of AdS/CFT correspondence. Lovelock theory also admits extensions that permit to accommodate matter coupled to gravity in a non-minimal way. In this setup, problems such as the backreaction of matter on the black hole geometry can also be solved exactly. In this paper, we study the thermodynamics of black holes in theories of gravity of this type, which include both higher-curvature terms, U(1) gauge fields, and conformal couplings with matter fields in D dimensions. These charged black hole solutions exhibit a backreacting scalar field configuration that is regular everywhere outside and on the horizon, and may exist both in asymptotically flat and asymptotically Anti-de Sitter (AdS) spaces. We work out explicitly the boundary action for this theory, which renders the variational problem well-posed and suffices to regularize the Euclidean action in AdS. We also discuss several interrelated properties of the theory, such as its duality symmetry under field redefinition and how it acts on black holes and gravitational wave solutions.
Schmitz, Andrew J; Hogle, David G; Gai, Xin Sonia; Fenlon, Edward E; Brewer, Scott H; Tucker, Matthew J
2016-09-08
The vibrations in the azide, N3, asymmetric stretching region and nitrile, CN, symmetric stretching region of 2'-azido-5-cyano-2'-deoxyuridine (N3CNdU) are examined by two-dimensional infrared (2D IR) spectroscopy. At earlier waiting times, the 2D IR spectrum shows the presence of both vibrational transitions along the diagonal and off-diagonal cross peaks indicating vibrational coupling. The coupling strength is determined from the off-diagonal anharmonicity to be 66 cm(-1) for the intramolecular distance of ∼7.9 Å, based on a structural map generated for this model system. In addition, the frequency-frequency correlation decay is detected, monitoring the solvent dynamics around each individual probe position. Overall, these vibrational reporters can be utilized in tandem to simultaneously track global structural information and fast structural fluctuations.
Sattar, M.; Wei, C.; Jalali, A.; Sattar, R.
2017-07-01
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.
Hole-vibrational coupling in Pentacene thin films detected by UPS
International Nuclear Information System (INIS)
Yamame, H.; Fukagawa, H.; Honda, H.; Ono, M.; Okudaira, K.K.; Ueno, N.; Kera, S.; Ishii, H.
2004-01-01
Full text:The hole/electron-vibrational coupling plays a crucial rule in the hole/electron transport in organic devices. In this work, fine structure of the highest occupied molecular orbital (HOMO) band in oriented thin films of pentacene on graphite (HOPG) was studied by using high-resolution ultraviolet photoelectron spectroscopy (UPS). Figure 1 shows the comparison of UPS spectra between pentacene thin films (circles) and gas-phase pentacene (dashed line). We observed a very sharp HOMO band, which consists of at least three components, as observed for Cu-phthalocyanine monolayer on HOPG. It is of note that the relative intensities of fine structures are different between the condensed phase and gas phase, while their energy separations are the same for the two phases (∼ 0.17 eV / 1400 cm -1 ). Furthermore, the relative intensity of fine structures showed remarkable dependence on photoelectron-take-off angle. Judging from these results, the observed fine structures in UPS originate from the hole-vibrational (molecular C-C stretching) coupling in pentacene thin films. At the conference, temperature and thickness dependences of UPS will be discussed
International Nuclear Information System (INIS)
Chattaraj, D.; Parida, S.C.; Dash, Smruti; Majumder, C.
2015-01-01
Highlights: • The physico-chemical properties of ZrCo and its hydrides were studied. • The isotope effect on vibrational and thermodynamic properties was investigated. • The changes in elastic properties due to hydrogenation of ZrCo were investigated. • Thermodynamics properties of ZrCo and its hydrides were calculated. - Abstract: The dynamical, thermodynamic and elastic properties of ZrCo and its hydrides ZrCoX 3 (X = H, D and T) are reported. While the electronic structure calculations are performed using plane wave pseudopotential approach, the effect of isotopes on the vibrational and thermodynamic properties has been demonstrated through frozen phonon approach. The results reveal significant difference between the ZrCoH 3 and its isotopic analogs in terms of phonon frequencies and zero point energies. For example, the energy gap between optical and acoustic modes reduces in the order of ZrCoT 3 > ZrCoD 3 > ZrCoH 3 . The vibrational properties shows that the intermetallic ZrCo is dynamically stable whereas ZrCoX 3 (X = H, D and T) are dynamically unstable. The calculated formation energies of ZrCoX 3 , including the ZPE, are −146.7, −158.3 and −164.1 kJ/(mole of ZrCoX 3 ) for X = H, D and T, respectively. In addition, the changes in elastic properties of ZrCo upon hydrogenation have also been investigated. The results show that both ZrCo and ZrCoH 3 are mechanically stable at ambient pressure. The Debye temperatures of both ZrCo and ZrCoH 3 are determined using the calculated elastic moduli
Energy Technology Data Exchange (ETDEWEB)
Chattaraj, D., E-mail: debchem@barc.gov.in [Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Parida, S.C.; Dash, Smruti [Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Majumder, C. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India)
2015-04-25
Highlights: • The physico-chemical properties of ZrCo and its hydrides were studied. • The isotope effect on vibrational and thermodynamic properties was investigated. • The changes in elastic properties due to hydrogenation of ZrCo were investigated. • Thermodynamics properties of ZrCo and its hydrides were calculated. - Abstract: The dynamical, thermodynamic and elastic properties of ZrCo and its hydrides ZrCoX{sub 3} (X = H, D and T) are reported. While the electronic structure calculations are performed using plane wave pseudopotential approach, the effect of isotopes on the vibrational and thermodynamic properties has been demonstrated through frozen phonon approach. The results reveal significant difference between the ZrCoH{sub 3} and its isotopic analogs in terms of phonon frequencies and zero point energies. For example, the energy gap between optical and acoustic modes reduces in the order of ZrCoT{sub 3} > ZrCoD{sub 3} > ZrCoH{sub 3}. The vibrational properties shows that the intermetallic ZrCo is dynamically stable whereas ZrCoX{sub 3} (X = H, D and T) are dynamically unstable. The calculated formation energies of ZrCoX{sub 3}, including the ZPE, are −146.7, −158.3 and −164.1 kJ/(mole of ZrCoX{sub 3}) for X = H, D and T, respectively. In addition, the changes in elastic properties of ZrCo upon hydrogenation have also been investigated. The results show that both ZrCo and ZrCoH{sub 3} are mechanically stable at ambient pressure. The Debye temperatures of both ZrCo and ZrCoH{sub 3} are determined using the calculated elastic moduli.
A study on different thermodynamic cycle schemes coupled with a high temperature gas-cooled reactor
International Nuclear Information System (INIS)
Qu, Xinhe; Yang, Xiaoyong; Wang, Jie
2017-01-01
Highlights: • The features of three different power generation schemes, including closed Brayton cycle, non-reheating combined cycle and reheating combined cycle, coupled with high temperature gas-cooled reactor (HTGR) were investigated and compared. • The effects and mechanism of reactor core outlet temperature, compression ratio and other key parameters over cycle characteristics were analyzed by the thermodynamic models.. • It is found that reheated combined cycle has the highest efficiency. Reactor outlet temperature and main steam parameters are key factors to improve the cycle’s performance. - Abstract: With gradual increase in reactor outlet temperature, the efficient power conversion technology has become one of developing trends of (very) high temperature gas-cooled reactors (HTGRs). In this paper, different cycle power generation schemes for HTGRs were systematically studied. Physical and mathematical models were established for these three cycle schemes: closed Brayton cycle, simple combined cycle, and reheated combined cycle. The effects and mechanism of key parameters such as reactor core outlet temperature, reactor core inlet temperature and compression ratio on the features of these cycles were analyzed. Then, optimization results were given with engineering restrictive conditions, including pinch point temperature differences. Results revealed that within the temperature range of HTGRs (700–900 °C), the reheated combined cycle had the highest efficiency, while the simple combined cycle had the lowest efficiency (900 °C). The efficiencies of the closed Brayton cycle, simple combined cycle and reheated combined cycle are 49.5%, 46.6% and 50.1%, respectively. These results provide insights on the different schemes of these cycles, and reveal the effects of key parameters on performance of these cycles. It could be helpful to understand and develop a combined cycle coupled with a high temperature reactor in the future.
Directory of Open Access Journals (Sweden)
A. Sheykhi
2016-01-01
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.
International Nuclear Information System (INIS)
Aspelund, O.
In the nuclear structure part, the foundations of Faessler and Greiner's rotation-vibration coupling theory are reviewed, whereafter an alternative derivation of Faessler and Greiner's Hamiltonian is presented. A non-spherical quadrupole phonon number N is defined and used in the matrix elements reported for odd-even/even-odd nuclei. These matrix elements are shown to evince oblate-prolate effects that can be exploited for assessing the signs of quadrupole deformations. In the nuclear reaction part, the wave functions emerging from the structure part are applied in a complete and consistent description of elastic and inelastic particle scattering, one-nucleon transfer, and particle/γ-ray angular correlations. The intentions are to demonstrate that anomolous angular distributions and 1=2 j-effects observed in one-nucleon transfer are interrelated phenomena, that can be satisfactorily explained in terms of the elementary vibrational excitation modes inherent in Faessler and Greiner's theory. The latter is regarded as a non-spherical approach to the theory of the quadrupole component of the nuclear potential energy surface. (Auth.)
International Nuclear Information System (INIS)
Yurtsever, E.; Brickmann, J.
1990-01-01
A two dimensional strongly nonharmonic vibrational system with nonlinear intermode coupling is studied both classically and quantum mechanically. The system was chosen such that there is a low lying transition (in energy) from a region where almost all trajectories move regularly to a region where chaotic dynamics strongly dominates. The corresponding quantum system is far away from the semiclassical limit. The eigenfunctions are calculated with high precision according to a linear variational scheme using conveniently chosen basis functions. It is the aim of this paper to check whether the prediction from semiclassical theory, namely that the measure of classically chaotic trajectories in phase space approaches the measure of irregular states in corresponding energy ranges, holds when the system is not close to the classical limit. It is also the aim to identify individual eigenfunctions with respect to regularity and to differentiate between local and normal vibrational states. It is found that there are quantitative and also qualitative differences between the quantum results and the semiclassical predictions. (orig./HK)
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
2017-01-01
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.
Directory of Open Access Journals (Sweden)
Yanwei Guan
2016-04-01
Full Text Available In this paper, a new micromachined tuning fork gyroscope (TFG with an anchored diamond coupling mechanism is proposed while the mode ordering and the vibration sensitivity are also investigated. The sense-mode of the proposed TFG was optimized through use of an anchored diamond coupling spring, which enables the in-phase mode frequency to be 108.3% higher than the anti-phase one. The frequencies of the in- and anti-phase modes in the sense direction are 9799.6 Hz and 4705.3 Hz, respectively. The analytical solutions illustrate that the stiffness difference ratio of the in- and anti-phase modes is inversely proportional to the output induced by the vibration from the sense direction. Additionally, FEM simulations demonstrate that the stiffness difference ratio of the anchored diamond coupling TFG is 16.08 times larger than the direct coupling one while the vibration output is reduced by 94.1%. Consequently, the proposed new anchored diamond coupling TFG can structurally increase the stiffness difference ratio to improve the mode ordering and considerably reduce the vibration sensitivity without sacrificing the scale factor.
Vibration Characteristics of Piezoelectric Microbeams Based on the Modified Couple Stress Theory
Directory of Open Access Journals (Sweden)
R. Ansari
2014-01-01
Full Text Available The vibration behavior of piezoelectric microbeams is studied on the basis of the modified couple stress theory. The governing equations of motion and boundary conditions for the Euler-Bernoulli and Timoshenko beam models are derived using Hamilton’s principle. By the exact solution of the governing equations, an expression for natural frequencies of microbeams with simply supported boundary conditions is obtained. Numerical results for both beam models are presented and the effects of piezoelectricity and length scale parameter are illustrated. It is found that the influences of piezoelectricity and size effects are more prominent when the length of microbeams decreases. A comparison between two beam models also reveals that the Euler-Bernoulli beam model tends to overestimate the natural frequencies of microbeams as compared to its Timoshenko counterpart.
International Nuclear Information System (INIS)
Patel, Vishesha; Malinovsky, Vladimir S.; Malinovskaya, Svetlana
2010-01-01
Coherent anti-Stokes Raman scattering (CARS) microscopy has been a major tool of investigation of biological structures as it contains the vibrational signature of molecules. A quantum control method based on chirped pulse adiabatic passage was recently proposed for selective excitation of a predetermined vibrational mode in CARS microscopy [Malinovskaya and Malinovsky, Opt. Lett. 32, 707 (2007)]. The method utilizes the chirp sign variation at the peak pulse amplitude and gives a robust adiabatic excitation of the desired vibrational mode. Using this method, we investigate the impact of coupling between vibrational modes in molecules on controllability of excitation of the CARS signal. We analyze two models of two coupled two-level systems (TLSs) having slightly different transitional frequencies. The first model, featuring degenerate ground states of the TLSs, gives robust adiabatic excitation and maximum coherence in the resonant TLS for positive value of the chirp. In the second model, implying nondegenerate ground states in the TLSs, a population distribution is observed in both TLSs, resulting in a lack of selectivity of excitation and low coherence. It is shown that the relative phase and coupling between the TLSs play an important role in optimizing coherence in the desired vibrational mode and suppressing unwanted transitions in CARS microscopy.
Directory of Open Access Journals (Sweden)
Congying ZHU
2018-04-01
Full Text Available The envelope of a hypersonic vehicle is affected by severe fluctuating pressure, which causes the airborne antenna to vibrate slightly. This vibration mixes with the transmitted signals and thus introduces additional multiplicative phase noise. Antenna vibration and signal coupling effects as well as their influence on the lock threshold of the hypersonic vehicle carrier tracking system of the Ka band are investigated in this study. A vibration model is initially established to obtain phase noise in consideration of the inherent relationship between vibration displacement and electromagnetic wavelength. An analytical model of the Phase-Locked Loop (PLL, which is widely used in carrier tracking systems, is established. The coupling effects on carrier tracking performance are investigated and quantitatively analyzed by imposing the multiplicative phase noise on the PLL model. Simulation results show that the phase noise presents a Gaussian distribution and is similar to vibration displacement variation. A large standard deviation in vibration displacement exerts a significant effect on the lock threshold. A critical standard deviation is observed in the PLL of Binary Phase Shift Keying (BPSK and Quadrature Phase Shift Keying (QPSK signals. The effect on QPSK signals is more severe than that on BPSK signals. The maximum tolerable standard deviations normalized by the wavelength of the carrier are 0.04 and 0.02 for BPSK and QPSK signals, respectively. With these critical standard deviations, lock thresholds are increased from −12 and −4 dB to 3 and −2 dB, respectively. Keywords: Antenna vibration, Carrier tracking performance, Lock threshold, Phase locked loop, Tracking Telemetry and Command (TT&C signals
Directory of Open Access Journals (Sweden)
Qiang Zhang
2015-01-01
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.
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
2016-11-21
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.
Czech Academy of Sciences Publication Activity Database
Gorman, D. G.; Trendafilova, I.; Mulholland, F.; Horáček, Jaromír
5-6, - (2006), s. 323-330 ISSN 1660-9336 R&D Projects: GA AV ČR(CZ) IAA2076101 Institutional research plan: CEZ:AV0Z20760514 Keywords : vibrations * vibro-acoustic interaction * structural/acoustic Subject RIV: BI - Acoustics
International Nuclear Information System (INIS)
Sai Venkata Ramana, A.
2014-01-01
The coupling parameter series expansion and the high temperature series expansion in the thermodynamic perturbation theory of fluids are shown to be equivalent if the interaction potential is pairwise additive. As a consequence, for the class of fluids with the potential having a hardcore repulsion, if the hard-sphere fluid is chosen as reference system, the terms of coupling parameter series expansion for radial distribution function, direct correlation function, and Helmholtz free energy follow a scaling law with temperature. The scaling law is confirmed by application to square-well fluids
Mork, Steven Wayne
High resolution infrared spectroscopy was used to examine intramolecular vibrational interactions in 2 -fluoroethanol (2FE) and 1,2-difluoroethane (DFE). A high resolution infrared spectrophotometer capable of better than 10 MHz spectral resolution was designed and constructed. The excitation source consists of three lasers: an argon-ion pumped dye laser which pumps a color -center laser. The infrared beam from the color-center laser is used to excite sample molecules which are rotationally and vibrationally cooled in a supersonic molecular beam. Rovibrational excitation of the sample molecules is detected by monitoring the kinetic energy of the molecular beam with a bolometer. The high resolution infrared spectrum of 2FE was collected and analyzed over the 2977-2990 cm^ {-1}^ectral region. This region contains the asymmetric CH stretch on the fluorinated carbon. The spectrum revealed extensive perturbations in the rotational fine structure. Analysis of these perturbations has provided a quantitative measure of selective vibrational mode coupling between the C-H stretch and its many neighboring dark vibrational modes. Interestingly, excitation of the C-H stretch is known to induce a photoisomerization reaction between 2FE's Gg^' and Tt conformers. Implications of the role of mode coupling in the reaction mechanism are also addressed. Similarly, the high resolution infrared spectrum of DFE was collected and analyzed over the 2978-2996 cm ^{-1}^ectral region. This region contains the symmetric combination of asymmetric C-H stretches in DFE. Perturbations in the rotational fine structure indicate vibrational mode coupling to a single dark vibrational state. The dark state is split by approximately 19 cm^{-1} due to tunneling between two identical gauche conformers. The coupling mechanism is largely anharmonic with a minor component of B/C-plane Coriolis coupling. Effects of centrifugal distortion along the molecular A-axis are also observed. The coupled vibrational
Energy Technology Data Exchange (ETDEWEB)
Monahan, Daniele M.; Whaley-Mayda, Lukas; Fleming, Graham R., E-mail: grfleming@lbl.gov [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)
2015-08-14
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.
Thermodynamic modeling of the Sc-Zn system coupled with first-principles calculation
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Tang C.
2012-01-01
Full Text Available The Sc-Zn system has been critically reviewed and assessed by means of CALPHAD (CALculation of PHAse Diagram approach. By means of first-principles calculation, the enthalpies of formation at 0 K for the ScZn, ScZn2, Sc17Zn58, Sc3Zn17 and ScZn12 have been computed with the desire to assist thermodynamic modeling. A set of self-consistent thermodynamic parameters for the Sc-Zn system is then obtained. The calculated phase diagram and thermodynamic properties agree well with the experimental data and first-principles calculations, respectively.
Energy Technology Data Exchange (ETDEWEB)
Alekhin, S.A.; Chernov, V.S.; Denisenko, V.V.; Gorodnyanskiy, I.F.; Prokopov, L.I.; Tikhonov, Yu.P.
1983-01-01
The vibration mixer is proposed which contains a housing, vibration drive with rod installed in the upper part of the mixing mechanism made in the form of a hollow shaft with blades. In order to improve intensity of mixing and dispersion of the mud, the shaft with the blades is arranged on the rod of the vibrator and is equipped with a cam coupling whose drive disc is attached to the vibration rod. The rod is made helical, while the drive disc of the cam coupling is attached to the helical surface of the rod. In addition, the vibration mixer is equipped with perforated discs installed on the ends of the rods.
Directory of Open Access Journals (Sweden)
Wei Jing
2016-01-01
Full Text Available In order to study the vibration problem of liquid-solid coupling of rectangular liquid-storage structure with horizontal elastic baffle, ignoring the influence of surface gravity wave, two different velocity potential functions corresponding to the liquid above and below the elastic baffle are assumed; based on the theory of mathematical equation and energy method, the formulas of basic frequency of liquid-solid coupling vibration system are derived, the baffle joined to the tank wall with 3 kinds of boundary conditions, namely, four edges simply supported, two opposite edges clamped and two opposite edges simply supported, and four edges clamped; the influence rules of baffle length-width ratio, the ratio of baffle height to liquid level, baffle elastic modulus, baffle density, baffle thickness, and liquid density on the coupling vibration performance are studied. The results show that the frequency of the clamped boundary is minimum; the influences of baffle length-width ratio and relative height on the basic frequency are much greater than that of the other system parameters; the relation between baffle length-width ratio and the frequency is exponential, while baffle relative height has a parabola relation with the frequency; the larger the baffle length-width ratio, the closer the baffle to the liquid level; the coupling frequency will be reduced more obviously.
International Nuclear Information System (INIS)
Zou, Hong-Xiang; Zhang, Wen-ming; Li, Wen-Bo; Wei, Ke-Xiang; Gao, Qiu-Hua; Peng, Zhi-Ke; Meng, Guang
2017-01-01
Highlights: • A magnetically coupled two-degree-of-freedom harvester for rotation is proposed. • The electromechanical coupling model is developed and validated experimentally. • The harvester can generate high voltage at low rotating speeds. • The harvester can harvest vibration energy in multiple frequency bands. - Abstract: Energy can be harvested from rotational motion for powering wireless autonomous electronic devices. The paper presents a magnetically coupled two-degree-of-freedom vibration energy harvester for rotary motion applications. The design consists of two inverted piezoelectric cantilever beams whose free ends point to the rotating shaft. The centrifugal force of the inverted cantilever beam is beneficial to producing large amplitude in a low speed range. The electromechanical coupling dynamical model is developed by the energy method from Hamilton’s principle and validated experimentally. The experimental results indicate that the presented harvester is suitable for low speed rotation and can harvest vibration energy in multiple frequency bands. The first and second resonant behaviors of voltage can be obtained at 420 r/min and 550 r/min, and the average output powers are 564 μW and 535.3 μW, respectively.
Interplay of quasiparticle-vibration coupling and pairing correlations on β-decay half-lives
Niu, Y. F.; Niu, Z. M.; Colò, G.; Vigezzi, E.
2018-05-01
The nuclear β-decay half-lives of Ni and Sn isotopes, around the closed shell nuclei 78Ni and 132Sn, are investigated by computing the distribution of the Gamow-Teller strength using the Quasiparticle Random Phase Approximation (QRPA) with quasiparticle-vibration coupling (QPVC), based on ground-state properties obtained by Hartree-Fock-Bogoliubov (HFB) calculations. We employ the effective interaction SkM* and a zero-range effective pairing force. The half-lives are strongly reduced by including the QPVC. We study in detail the effects of isovector (IV) and isoscalar (IS) pairing. Increasing the IV strength tends to increase the lifetime for nuclei in the proximity of, but lighter than, the closed-shell ones in QRPA calculations, while the effect is significantly reduced by taking into account the QPVC. On the contrary, the IS pairing mainly plays a role for nuclei after the shell closure. Increasing its strength decreases the half-lives, and the effect at QRPA and QRPA+QPVC level is comparable. The effect of IS pairing is particularly pronounced in the case of the Sn isotopes, where it turns out to be instrumental to obtain good agreement with experimental data.
International Nuclear Information System (INIS)
Colo, G.; SAgawa, H.; Bortignon, P. F.
2009-01-01
To study the structure of atomic nuclei, the ab-initio methods can nowadays be applied only for mass number A smaller than ∼ 10-15. For heavier systems, the self-consistent mean-field (SCMF) approach is probably the most microscopic approach which can be systematically applied to stable and exotic nuclei. In practice, the SCMF is mostly based on parametrizations of an effective interaction. However, the are groups who are intensively working on the development of a general density functional (DF) which is not necessarily extracted from an Hamiltonian. The basic question is to what extent this allows improving on the existing functionals. In this contribution we analyze the performance of existing functionals as far as the reproduction of single-particle states is concerned. We start by analyzing the effect of the tensor terms, on which the attention of several groups have recently focused. Then we discuss the impact of the particle-vibration coupling (PVC). Although the basic idea of this approach dates back to long time ago, we present here for the first time calculations which are entirely based on microscopic interactions without dropping any term or introducing ad hoc parameters. We show results both for well-known, benchmark nuclei like 4 0C a and 2 08P b as well as unstable nuclei like 1 32S n. Both single-particle energies and spectroscopic factors are discussed.(author)
Nuclear spin-isospin excitations from covariant quasiparticle-vibration coupling
Robin, Caroline; Litvinova, Elena
2016-09-01
Methods based on the relativistic Lagrangian of quantum hadrodynamics and nuclear field theory provide a consistent framework for the description of nuclear excitations, naturally connecting the high- and medium-energy scales of mesons to the low-energy domain of nucleonic collective motion. Applied in the neutral channel, this approach has been quite successful in describing the overall transition strength up to high excitation energies, as well as fine details of the low-lying distribution. Recently, this method has been extended to the description of spin-isospin excitations in open-shell nuclei. In the charge-exchange channel, the coupling between nucleons and collective vibrations generates a time-dependent proton-neutron effective interaction, in addition to the static pion and rho-meson exchange, and introduces complex configurations that induce fragmentation and spreading of the resonances. Such effects have a great impact on the quenching of the strength and on the computing of weak reaction rates that are needed for astrophysics modeling. Gamow-Teller transitions in medium-mass nuclei and associated beta-decay half-lives will be presented. Further developments aiming to include additional ground-state correlations will also be discussed. This work is supported by US-NSF Grants PHY-1404343 and PHY-1204486.
International Nuclear Information System (INIS)
Totsuji, Hiroo
2008-01-01
The thermodynamics is analyzed for a system composed of particles with hard cores, interacting via the repulsive Yukawa potential (Yukawa particulates), and neutralizing ambient (background) plasma. An approximate equation of state is given with proper account of the contribution of ambient plasma and it is shown that there exists a possibility for the total isothermal compressibility of Yukawa particulates and ambient plasma to diverge when the coupling between Yukawa particulates is sufficiently strong. In this case, the system undergoes a transition into separated phases with different densities and we have a critical point for this phase separation. Examples of approximate phase diagrams related to this transition are given. It is emphasized that the critical point can be in the solid phase and we have the possibility to observe a solid-solid phase separation. The applicability of these results to fine particle plasmas is investigated. It is shown that, though the values of the characteristic parameters are semiquantitative due to the effects not described by this model, these phenomena are expected to be observed in fine particle plasmas, when approximately isotropic bulk systems are realized with a very strong coupling between fine particles.
Totsuji, Hiroo
2008-07-01
The thermodynamics is analyzed for a system composed of particles with hard cores, interacting via the repulsive Yukawa potential (Yukawa particulates), and neutralizing ambient (background) plasma. An approximate equation of state is given with proper account of the contribution of ambient plasma and it is shown that there exists a possibility for the total isothermal compressibility of Yukawa particulates and ambient plasma to diverge when the coupling between Yukawa particulates is sufficiently strong. In this case, the system undergoes a transition into separated phases with different densities and we have a critical point for this phase separation. Examples of approximate phase diagrams related to this transition are given. It is emphasized that the critical point can be in the solid phase and we have the possibility to observe a solid-solid phase separation. The applicability of these results to fine particle plasmas is investigated. It is shown that, though the values of the characteristic parameters are semiquantitative due to the effects not described by this model, these phenomena are expected to be observed in fine particle plasmas, when approximately isotropic bulk systems are realized with a very strong coupling between fine particles.
Directory of Open Access Journals (Sweden)
Wei Ken Chin
2017-09-01
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.
International Nuclear Information System (INIS)
Adamovich, Igor V.
2014-01-01
A three-dimensional, nonperturbative, semiclassical analytic model of vibrational energy transfer in collisions between a rotating diatomic molecule and an atom, and between two rotating diatomic molecules (Forced Harmonic Oscillator–Free Rotation model) has been extended to incorporate rotational relaxation and coupling between vibrational, translational, and rotational energy transfer. The model is based on analysis of semiclassical trajectories of rotating molecules interacting by a repulsive exponential atom-to-atom potential. The model predictions are compared with the results of three-dimensional close-coupled semiclassical trajectory calculations using the same potential energy surface. The comparison demonstrates good agreement between analytic and numerical probabilities of rotational and vibrational energy transfer processes, over a wide range of total collision energies, rotational energies, and impact parameter. The model predicts probabilities of single-quantum and multi-quantum vibrational-rotational transitions and is applicable up to very high collision energies and quantum numbers. Closed-form analytic expressions for these transition probabilities lend themselves to straightforward incorporation into DSMC nonequilibrium flow codes
Vibrationally induced nuclear quadrupole coupling in the v3 = 1 state of 189OsO4
International Nuclear Information System (INIS)
Scappini, F.; Kreiner, W.A.; Frye, J.M.; Oka, T.
1987-01-01
Electric nuclear quadrupole hyperfine structure arising from a quadrupolar nucleus at the center of tetrahedral molecules, such as 189 OsO 4 , is symmetry forbidden. However, through vibration--rotation distortion a small nuclear quadrupole coupling is induced. The hyperfine structure due to the vibrationally induced eqQ has been measured for a number of P- and R-branch transitions in the ν 3 fundamental of 189 OsO 4 , by using inverse Lamb dip spectroscopy. Microwave modulation sidebands of CO 2 laser lines have been used as the tunable infrared radiation. From the analysis of the observed hyperfine structure patterns, the values of the scalar and tensor coupling constants have been determined to be chi/sup V//sub s/ = -4.103 +- 0.048 MHz and chi/sup V//sub t/ = -3.090 +- 0.059 MHz
International Nuclear Information System (INIS)
Spasennykh, M.Yu.; Apps, J.A.
1995-05-01
A model is developed describing one dimensional radionuclide transport in porous media coupled with locally reversible radionuclide water-mineral exchange reactions and radioactive decay. Problems are considered in which radionuclide transport by diffusion and infiltration processes occur in cases where radionuclide water-solid interaction are kinetically and thermodynamically controlled. The limits of Sr-90 and Cs-137 migration are calculated over a wide range of the problem variables (infiltration velocity, distribution coefficients, and rate constants of water-mineral radionuclide exchange reactions)
PAD: a one-dimensional, coupled neutronic-thermodynamic-hydrodynamic computer code
International Nuclear Information System (INIS)
Peterson, D.M.; Stratton, W.R.; McLaughlin, T.P.
1976-12-01
Theoretical and numerical foundations, utilization guide, sample problems, and program listing and glossary are given for the PAD computer code which describes dynamic systems with interactive neutronics, thermodynamics, and hydrodynamics in one-dimensional spherical, cylindrical, and planar geometries. The code has been applied to prompt critical excursions in various fissioning systems (solution, metal, LMFBR, etc.) as well as to nonfissioning systems
Deconstructing thermodynamic parameters of a coupled system from site-specific observables.
Chowdhury, Sandipan; Chanda, Baron
2010-11-02
Cooperative interactions mediate information transfer between structural domains of a protein molecule and are major determinants of protein function and modulation. The prevalent theories to understand the thermodynamic origins of cooperativity have been developed to reproduce the complex behavior of a global thermodynamic observable such as ligand binding or enzyme activity. However, in most cases the measurement of a single global observable cannot uniquely define all the terms that fully describe the energetics of the system. Here we establish a theoretical groundwork for analyzing protein thermodynamics using site-specific information. Our treatment involves extracting a site-specific parameter (defined as χ value) associated with a structural unit. We demonstrate that, under limiting conditions, the χ value is related to the direct interaction terms associated with the structural unit under observation and its intrinsic activation energy. We also introduce a site-specific interaction energy term (χ(diff)) that is a function of the direct interaction energy of that site with every other site in the system. When combined with site-directed mutagenesis and other molecular level perturbations, analyses of χ values of site-specific observables may provide valuable insights into protein thermodynamics and structure.
Energy Technology Data Exchange (ETDEWEB)
Gong, Xi Wu [Zhejiang Ocean University, Zhejian (China); Wang, Xiao Qiong; Li, You Rong; Wu, Chun Mei [Chongqing University, Chongqing (China)
2015-07-15
We present a novel coupled organic Rankine cycle (CORC) system driven by the low-grade waste heat, which couples a transcritical organic Rankine cycle with a subcritical organic Rankine cycle. Based on classical thermodynamic theory, a detailed performance analysis on the novel CORC system was performed. The results show that the pressure ratio of the expander is decreased in the CORC and the selection of the working fluids becomes more flexible and abundant. With the increase of the pinch point temperature difference of the internal heat exchanger, the net power output and thermal efficiency of the CORC all decrease. With the increase of the critical temperature of the working fluid, the system performance of the CORC is improved. The net power output and thermal efficiency of the CORC with isentropic working fluids are higher than those with dry working fluids.
Thermodynamic Cconstraints on Coupled Carbonate-Pyrite Weathering Dynamics and Carbon Fluxes
Winnick, M.; Maher, K.
2017-12-01
Chemical weathering within the critical zone regulates global biogeochemical cycles, atmospheric composition, and the supply of key nutrients to terrestrial and aquatic ecosystems. Recent studies suggest that thermodynamic limits on solute production act as a first-order control on global chemical weathering rates; however, few studies have addressed the factors that set these thermodynamic limits in natural systems. In this presentation, we investigate the effects of soil CO2 concentrations and pyrite oxidation rates on carbonate dissolution and associated carbon fluxes in the East River watershed in Colorado, using concentration-discharge relationships and thermodynamic constraints. Within the shallow subsurface, soil respiration rates and moisture content determine the extent of carbonic acid-promoted carbonate dissolution through their modulation of soil pCO2 and the balance of open- v. closed-system weathering processes. At greater depths, pyrite oxidation generates sulfuric acid, which alters the approach to equilibrium of infiltrating waters. Through comparisons of concentration-discharge data and reactive transport model simulations, we explore the conditions that determine whether sulfuric acid reacts to dissolve additional carbonate mineral or instead reacts with alkalinity already in solution - the balance of which determines watershed carbon flux budgets. Our study highlights the importance of interactions between the chemical structure of the critical zone and the hydrologic regulation of flowpaths in determining concentration-discharge relationships and overall carbon fluxes.
Padula, Daniele; Lee, Myeong H; Claridge, Kirsten; Troisi, Alessandro
2017-11-02
In this paper, we adopt an approach suitable for monitoring the time evolution of the intramolecular contribution to the spectral density of a set of identical chromophores embedded in their respective environments. We apply the proposed method to the Fenna-Matthews-Olson (FMO) complex, with the objective to quantify the differences among site-dependent spectral densities and the impact of such differences on the exciton dynamics of the system. Our approach takes advantage of the vertical gradient approximation to reduce the computational demands of the normal modes analysis. We show that the region of the spectral density that is believed to strongly influence the exciton dynamics changes significantly in the timescale of tens of nanoseconds. We then studied the impact of the intramolecular vibrations on the exciton dynamics by considering a model of FMO in a vibronic basis and neglecting the interaction with the environment to isolate the role of the intramolecular exciton-vibration coupling. In agreement with the assumptions in the literature, we demonstrate that high frequency modes at energy much larger than the excitonic energy splitting have negligible influence on exciton dynamics despite the large exciton-vibration coupling. We also find that the impact of including the site-dependent spectral densities on exciton dynamics is not very significant, indicating that it may be acceptable to apply the same spectral density on all sites. However, care needs to be taken for the description of the exciton-vibrational coupling in the low frequency part of intramolecular modes because exciton dynamics is more susceptible to low frequency modes despite their small Huang-Rhys factors.
Calculation of vibrational frequencies through a variational reduced-coupling approach.
Scribano, Yohann; Benoit, David M
2007-10-28
In this study, we present a new method to perform accurate and efficient vibrational configuration interaction computations for large molecular systems. We use the vibrational self-consistent field (VSCF) method to compute an initial description of the vibrational wave function of the system, combined with the single-to-all approach to compute a sparse potential energy surface at the chosen ab initio level of theory. A Davidson scheme is then used to diagonalize the Hamiltonian matrix built on the VSCF virtual basis. Our method is applied to the computation of the OH-stretch frequency of formic acid and benzoic acid to demonstrate the efficiency and accuracy of this new technique.
Rofouei, M K; Fereyduni, E; Sohrabi, N; Shamsipur, M; Attar Gharamaleki, J; Sundaraganesan, N
2011-01-01
In this work, we will report a combined experimental and theoretical study on molecular and vibrational structure of N,N'-di(p-thiazole)formamidine (DpTF). DpTF has been synthesized and characterized by elemental analysis, FT-IR, FT-Raman, 1H NMR, 13C NMR spectroscopy and X-ray single crystal diffraction. The FT-IR and FT-Raman spectra of DpTF were recorded in the solid phase. The optimized geometry was calculated by HF and B3LYP methods using 6-31G(d) basis set. The FT-IR and FT-Raman spectra of DpTF was calculated at the HF/B3LYP/6-31G(d) level and were interpreted in terms of potential energy distribution (PED) analysis. The scaled theoretical wavenumber showed very good agreement with the experimental values. A detailed interpretation of the infrared and Raman spectra of DpTF was reported. On the basis of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between Cp,m°, Sm°, Hm° and temperatures. Furthermore, molecular electrostatic potential maps (MESP) and total dipole moment properties of the compound have been calculated. Copyright © 2010 Elsevier B.V. All rights reserved.
International Nuclear Information System (INIS)
Ji, Hongli; Qiu, Jinhao; Xia, Pinqi; Inman, Daniel
2012-01-01
Modal coupling is an important issue in the analysis and control of structural systems with multi-degrees of freedom (MDOF). In this paper, modal coupling induced by energy conversion in the structural control of an MDOF system using a synchronized switch damping method is investigated theoretically and validated numerically. In the analysis, it is supposed that the voltage on the piezoelectric actuator is switched at the displacement extrema of a given mode. Two types of coupling in energy conversion are considered. The first is whether the switching action based on one mode induces energy conversion of the other modes. The second is whether the vibration of one mode affects the energy conversion of the other modes. The results indicate that the modal coupling in energy conversion is very complicated. In most cases the switching action based on one mode does induce energy conversion of another mode, but the efficiency depends on the frequency ratio of the two modes. The vibration of one mode affects the energy conversion of another mode only when the frequency ratio of the two modes takes some special values. Discussions are also given on the potential application of the theoretical results in the design of an energy harvesting device. (paper)
Mork, Steven W.; Miller, C. Cameron; Philips, Laura A.
1992-09-01
The high resolution infrared spectrum of 1,2-difluoroethane (DFE) in a molecular beam has been obtained over the 2978-2996 cm-1 spectral region. This region corresponds to the symmetric combination of asymmetric C-H stretches in DFE. Observed rotational fine structure indicates that this C-H stretch is undergoing vibrational mode coupling to a single dark mode. The dark mode is split by approximately 19 cm-1 due to tunneling between the two identical gauche conformers. The mechanism of the coupling is largely anharmonic with a minor component of B/C plane Coriolis coupling. Effects of centrifugal distortion along the molecular A-axis are also observed. Analysis of the fine structure identifies the dark state as being composed of C-C torsion, CCF bend, and CH2 rock. Coupling between the C-H stretches and the C-C torsion is of particular interest because DFE has been observed to undergo vibrationally induced isomerization from the gauche to trans conformer upon excitation of the C-H stretch.
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: mkhalil@chem.washington.edu [Department of Chemistry, University of Washington, Box 351700, Seattle, Washington 98195 (United States)
2014-02-28
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.
Effect of the adiabatic vibrational coupling on the fusion of the 16O-238U interaction
International Nuclear Information System (INIS)
Ismail, M.; Osman, M.; Ramadan, Kh.A.; Seif, W.
2003-01-01
The effect of both rotation and vibration of a deformed target nucleus on the fusion cross-section and barrier distributions was studied. This was done in the framework of the microscopically derived heavy-ion (HI) potential. Moreover, the effect of target deformation up to β 6 and the density dependence of the NN force on the fusion process was studied in the presence of vibrational excitations of the target. The results obtained were compared with experimental data. (author)
The role of ro-vibrational coupling in the revival dynamics of diatomic molecular wave packets
International Nuclear Information System (INIS)
Banerji, J; Ghosh, Suranjana
2006-01-01
We study the revival and fractional revivals of a diatomic molecular wave packet of circular states whose weighing coefficients are peaked about a vibrational quantum number ν-bar and a rotational quantum number j-bar. Furthermore, we show that the interplay between the rotational and vibrational motion is determined by a parameter γ =√D/C, where D is the dissociation energy and C is inversely proportional to the reduced mass of the two nuclei. Using I 2 and H 2 as examples, we show, both analytically and visually (through animations), that for γ>>ν-bar, j-bar, the rotational and vibrational time scales are so far apart that the ro-vibrational motion gets decoupled and the revival dynamics depends essentially on one time scale. For γ∼ν-bar, j-bar, on the other hand, the evolution of the wave packet depends crucially on both the rotational and vibrational time scales of revival. In the latter case, an interesting rotational-vibrational fractional revival is predicted and explained
Wei, Wei; Li, Wenhong; Deng, Yi; Yang, Song; Jiang, Jonathan H.; Huang, Lei; Liu, W. Timothy
2018-04-01
This study investigates dynamical and thermodynamical coupling between the North Atlantic subtropical high (NASH), marine boundary layer (MBL) clouds, and the local sea surface temperatures (SSTs) over the North Atlantic in boreal summer for 1984-2009 using NCEP/DOE Reanalysis 2 dataset, various cloud data, and the Hadley Centre sea surface temperature. On interannual timescales, the summer mean subtropical MBL clouds to the southeast of the NASH is actively coupled with the NASH and local SSTs: a stronger (weaker) NASH is often accompanied with an increase (a decrease) of MBL clouds and abnormally cooler (warmer) SSTs along the southeast flank of the NASH. To understand the physical processes between the NASH and the MBL clouds, the authors conduct a data diagnostic analysis and implement a numerical modeling investigation using an idealized anomalous atmospheric general circulation model (AGCM). Results suggest that significant northeasterly anomalies in the southeast flank of the NASH associated with an intensified NASH tend to induce stronger cold advection and coastal upwelling in the MBL cloud region, reducing the boundary surface temperature. Meanwhile, warm advection associated with the easterly anomalies from the African continent leads to warming over the MBL cloud region at 700 hPa. Such warming and the surface cooling increase the atmospheric static stability, favoring growth of the MBL clouds. The anomalous diabatic cooling associated with the growth of the MBL clouds dynamically excites an anomalous anticyclone to its north and contributes to strengthening of the NASH circulation in its southeast flank. The dynamical and thermodynamical couplings and their associated variations in the NASH, MBL clouds, and SSTs constitute an important aspect of the summer climate variability over the North Atlantic.
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.
1995-07-01
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.
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)
2006-07-15
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)
International Nuclear Information System (INIS)
Garcia-Morales, Vladimir; Pellicer, Julio; Manzanares, Jose A.
2008-01-01
We present some novel thermodynamic ideas based on the Maupertuis principle. By considering Hamiltonians written in terms of appropriate action-angle variables we show that thermal states can be characterized by the action variables and by their evolution in time when the system is nonintegrable. We propose dynamical definitions for the equilibrium temperature and entropy as well as an expression for the nonequilibrium entropy valid for isolated systems with many degrees of freedom. This entropy is shown to increase in the relaxation to equilibrium of macroscopic systems with short-range interactions, which constitutes a dynamical justification of the Second Law of Thermodynamics. Several examples are worked out to show that this formalism yields the right microcanonical (equilibrium) quantities. The relevance of this approach to nonequilibrium situations is illustrated with an application to a network of coupled oscillators (Kuramoto model). We provide an expression for the entropy production in this system finding that its positive value is directly related to dissipation at the steady state in attaining order through synchronization
Epifano, Enrica; Guéneau, Christine; Belin, Renaud C; Vauchy, Romain; Lebreton, Florent; Richaud, Jean-Christophe; Joly, Alexis; Valot, Christophe; Martin, Philippe M
2017-07-03
In the frame of minor actinide transmutation, americium can be diluted in UO 2 and (U, Pu)O 2 fuels burned in fast neutron reactors. The first mandatory step to foresee the influence of Am on the in-reactor behavior of transmutation targets or fuel is to have fundamental knowledge of the Am-O binary system and, in particular, of the AmO 2-x phase. In this study, we coupled HT-XRD (high-temperature X-ray diffraction) experiments with CALPHAD thermodynamic modeling to provide new insights into the structural properties and phase equilibria in the AmO 2-x -AmO 1.61+x -Am 2 O 3 domain. Because of this approach, we were able for the first time to assess the relationships between temperature, lattice parameter, and hypostoichiometry for fcc AmO 2-x . We showed the presence of a hyperstoichiometric existence domain for the bcc AmO 1.61+x phase and the absence of a miscibility gap in the fcc AmO 2-x phase, contrary to previous representations of the phase diagram. Finally, with the new experimental data, a new CALPHAD thermodynamic model of the Am-O system was developed, and an improved version of the phase diagram is presented.
Directory of Open Access Journals (Sweden)
Congcong Cheng
2016-01-01
Full Text Available A practical piezoelectric vibration energy harvesting (PVEH system is usually composed of two coupled parts: a harvesting structure and an interface circuit. Thus, it is much necessary to build system-level coupled models for analyzing PVEH systems, so that the whole PVEH system can be optimized to obtain a high overall efficiency. In this paper, two classes of coupled models are proposed by joint finite element and circuit analysis. The first one is to integrate the equivalent circuit model of the harvesting structure with the interface circuit and the second one is to integrate the equivalent electrical impedance of the interface circuit into the finite element model of the harvesting structure. Then equivalent circuit model parameters of the harvesting structure are estimated by finite element analysis and the equivalent electrical impedance of the interface circuit is derived by circuit analysis. In the end, simulations are done to validate and compare the proposed two classes of system-level coupled models. The results demonstrate that harvested powers from the two classes of coupled models approximate to theoretic values. Thus, the proposed coupled models can be used for system-level optimizations in engineering applications.
Bruch, Anton; Lewenkopf, Caio; von Oppen, Felix
2018-03-01
We develop a Landauer-Büttiker theory of entropy evolution in time-dependent, strongly coupled electron systems. The formalism naturally avoids the problem of the system-bath distinction by defining the entropy current in the attached leads. This current can then be used to infer changes of the entropy of the system which we refer to as the inside-outside duality. We carry out this program in an adiabatic expansion up to first order beyond the quasistatic limit. When combined with particle and energy currents, as well as the work required to change an external potential, our formalism provides a full thermodynamic description, applicable to arbitrary noninteracting electron systems in contact with reservoirs. This provides a clear understanding of the relation between heat and entropy currents generated by time-dependent potentials and their connection to the occurring dissipation.
International Nuclear Information System (INIS)
Zhong, Ming-Liang; Li, Yun-Ze; Mao, Yu-Feng; Liang, Yi-Hao; Liu, Jia
2017-01-01
Highlights: • A novel space wireless power transfer system is proposed. • Concentrated sunlight is used as the medium to avoid multiple conversions. • Fresnel lens and optical fiber bundle make the system compact and space-qualified. • Coupled optic-thermodynamic model is developed to analyze link efficiencies. • End-to-end efficiency achieved is as twice as that of microwave or laser system. - Abstract: The energy generation and supply for in-orbit spacecraft have become an urgent problem concerning efficient and economical utilization of spacecraft formation flying. To fill the gap between the requirement of inter-spacecraft energy transfer and the development of wireless power transfer, this paper presents a novel wireless power transfer system whose transmission medium is concentrated sunlight. The system concentrates sunlight using a Fresnel lens, and changes the direction of concentrated sunlight beam with optical fibers. The light energy is converted to thermal form by a heat collector, and then it is utilized to generate electricity by a Stirling engine integrated with linear alternator. Equipments employed on fractionated spacecraft shall be supported by this electric energy. A coupled optic-thermodynamic model was developed to analyze system link efficiencies. This system offers characteristics such as high flexibility, relatively low cost for launch and maintenance, and most importantly, high end-to-end efficiency. Simulation results show that the geometric concentration ratio and the temperature ratio of expansion and compression spaces are two key parameters of this system. Output power of 234.3 W was achieved on the distance of 100 m, and the end-to-end efficiency of the system was above 20%.
Energy Technology Data Exchange (ETDEWEB)
Rutqvist, Jonny; Kim, Hyung-Mok; Ryu, Dong-Woo; Synn, Joong-Ho; Song, Won-Kyong
2012-06-01
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
Coupled Boundary and Finite Element Analysis of Vibration from Railway Tunnels
DEFF Research Database (Denmark)
Andersen, Lars; Jones, C. J. C.
2004-01-01
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...
Nonequilibrium electron-vibration coupling and conductance fluctuations in a C60 junction
DEFF Research Database (Denmark)
Ulstrup, Søren; Frederiksen, Thomas; Brandbyge, Mads
2012-01-01
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...
Effects of the coupling of quasiparticle and collective vibrations on the properties of 120Sn
Vigezzi, Enrico
2018-03-01
Assuming quasiparticles and collective vibrations as fundamental modes of excitation and taking into account their interplay within the framework of Nuclear Field Theory, it is possible to give an accurate and comprehensive description of the low-energy spectrum of the superfluid nucleus 120Sn.
Anharmonicities of coupled β and γ vibrations discussed in a simple model
International Nuclear Information System (INIS)
Piepenbring, R.; Silvestre-Brac, B.; Szymanski, Z.
1984-01-01
The multiphonon method based on β and γ phonons is tested in a simple model allowing an exact solution for a many body fermion system where pairing and quadrupole forces are acting. The properties exhibiting the anharmonicities of the lowest-lying vibrational states of positive parity are nicely reproduced by this method. (orig.)
Anharmonicities of coupled β and γ vibrations discussed in a simple model
International Nuclear Information System (INIS)
Piepenbring, R.; Silvestre-Brac, B.; Szymanski, Z.
1983-11-01
The multiphonon method based on β and γ phonons is tested in a simple model allowing an exact solution for a many body fermion system where pairing and quadrupole forces are acting. The properties exhibiting the anharmonicities of the lowest-lying vibrational states of positive parity are nicely reproduced by this method
El Aroudi, Abdelali
2014-05-01
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.
International Nuclear Information System (INIS)
Gianturco, F.A.; Palma, A.; Semprini, E.; Stefani, F.; Baer, M.
1990-01-01
A three-dimensional quantum-mechanical study of vibrational, state-resolved differential cross sections (DCS) for the direct inelastic and for the charge-transfer scattering channels has been carried out for the H + +O 2 system. The collision energy considered was E c.m. =23.0 eV, which is the same as that examined by Noll and Toennies in their experiments [J. Chem. Phys. 85, 3313 (1986)]. The scattering treatment employed was the charge-transfer infinite-order sudden approximation (CT IOSA) with the vibrational states correctly expanded over the relevant adiabatic basis for each of the two electronic channels. The state-to-state DCS are found to follow closely the behavior of the experimental quantities, both in the inelastic and the charge-transfer channels. Moreover, a careful comparison between the measured relative probabilities and computed values allows us to test in minute detail the efficiency of the scattering model and the reliability of the potential-energy surfaces employed. It is found that vibrational energy transfer is overestimated in the vibrational inelastic channels while in the charge-transfer inelastic channels the same energy transfer is slightly underestimated by the calculations. The total flux distribution, however, is found to be in very good accord with experiments. Angular distributions are also well reproduced both by the DCS and by the average energy-transfer values. The study of some of the CT IOSA quantities also allows us to establish clearly the importance of nonadiabatic transitions in enhancing vibrational inelasticity in the present system
Holliday, Ezekiel S. (Inventor)
2014-01-01
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.
International Nuclear Information System (INIS)
Yu Dianlong; Fang Jianyu; Cai Li; Han Xiaoyun; Wen Jihong
2009-01-01
The propagation of triply coupled vibrations in a periodic, nonsymmetrical and axially loaded thin-walled Bernoulli-Euler beam composed of two kinds of materials is investigated with the transfer matrix method. The cross-section of the beam lacks symmetrical axes, and bending vibrations in the two perpendicular directions are coupled with torsional vibrations. Furthermore, the effect of warping stiffness is included. The band structures of the periodic beam, both including and excluding the warping effect, are obtained. The frequency response function of the finite periodic beam is simulated with the finite element method. These simulations show large vibration-based attenuation in the frequency range of the gap, as expected. By comparing the band structure of the beam with plane wave expansion method calculations that are available in the literature, one finds that including the warping effect leads to a more accurate simulation. The effects of warping stiffness and axial force on the band structure are also discussed.
Directory of Open Access Journals (Sweden)
Yingliang Liu
2017-07-01
Full Text Available Molecular couplings between DNA and water together with the accompanying processes of energy exchange are mapped via the ultrafast response of DNA backbone vibrations after OH stretch excitation of the water shell. Native salmon testes DNA is studied in femtosecond pump-probe experiments under conditions of full hydration and at a reduced hydration level with two water layers around the double helix. Independent of their local hydration patterns, all backbone vibrations in the frequency range from 940 to 1120 cm–1 display a quasi-instantaneous reshaping of the spectral envelopes of their fundamental absorption bands upon excitation of the water shell. The subsequent reshaping kinetics encompass a one-picosecond component, reflecting the formation of a hot ground state of the water shell, and a slower contribution on a time scale of tens of picoseconds. Such results are benchmarked by measurements with resonant excitation of the backbone modes, resulting in distinctly different absorption changes. We assign the fast changes of DNA absorption after OH stretch excitation to structural changes in the water shell which couple to DNA through the local electric fields. The second slower process is attributed to a flow of excess energy from the water shell into DNA, establishing a common heated ground state in the molecular ensemble. This interpretation is supported by theoretical calculations of the electric fields exerted by the water shell at different temperatures.
Ghadiri, Majid; Safarpour, Hamed
2016-09-01
In this paper, size-dependent effect of an embedded magneto-electro-elastic (MEE) nanoshell subjected to thermo-electro-magnetic loadings on free vibration behavior is investigated. Also, the surrounding elastic medium has been considered as the model of Winkler characterized by the spring. The size-dependent MEE nanoshell is investigated on the basis of the modified couple stress theory. Taking attention to the first-order shear deformation theory (FSDT), the modeled nanoshell and its equations of motion are derived using principle of minimum potential energy. The accuracy of the presented model is validated with some cases in the literature. Finally, using the Navier-type method, an analytical solution of governing equations for vibration behavior of simply supported MEE cylindrical nanoshell under combined loadings is presented and the effects of material length scale parameter, temperature changes, external electric potential, external magnetic potential, circumferential wave numbers, constant of spring, shear correction factor and length-to-radius ratio of the nanoshell on natural frequency are identified. Since there has been no research about size-dependent analysis MEE cylindrical nanoshell under combined loadings based on FSDT, numerical results are presented to be served as benchmarks for future analysis of MEE nanoshells using the modified couple stress theory.
Directory of Open Access Journals (Sweden)
M Pomarède
2016-09-01
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].
Fang, Pan; Hou, Yongjun; Nan, Yanghai
2015-01-01
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. PMID:25993472
Thermodynamic analysis of diesel engine coupled with ORC and absorption refrigeration cycle
International Nuclear Information System (INIS)
Salek, Farhad; Moghaddam, Alireza Naghavi; Naserian, Mohammad Mahdi
2017-01-01
Highlights: • Coupling ORC and Ammonia absorption cycles with diesel engine to recover energy. • By using designed bottoming system, recovered diesel engine energy is about 10%. • By using designed bottoming system, engine efficiency will grow about 4.65%. - Abstract: In this paper, Rankine cycle and Ammonia absorption cycle are coupled with Diesel engine to recover the energy of exhaust gases. The novelty of this paper is the use of ammonia absorption refrigeration cycle bottoming Rankine cycle which coupled with diesel engine to produce more power. Bottoming system converts engine exhaust thermal energy to cooling and mechanical energy. Energy transfer process has been done by two shell and tube heat exchangers. Simulation processes have been done by programming mathematic models of cycles in EES Program. Based on results, recovered energy varies with diesel engine load. For the particular load case of current research, the use of two heat exchangers causes 0.5% decrement of engine mechanical power. However, the recovered energy is about 10% of engine mechanical power.
Optimum Design of a Nonlinear Vibration Absorber Coupled to a Resonant Oscillator: A Case Study
Directory of Open Access Journals (Sweden)
H. F. Abundis-Fong
2018-01-01
Full Text Available This paper presents the optimal design of a passive autoparametric cantilever beam vibration absorber for a linear mass-spring-damper system subject to harmonic external force. The design of the autoparametric vibration absorber is obtained by using an approximation of the nonlinear frequency response function, computed via the multiple scales method. Based on the solution given by the perturbation method mentioned above, a static optimization problem is formulated in order to determine the optimum parameters (mass and length of the nonlinear absorber which minimizes the steady state amplitude of the primary mass under resonant conditions; then, a PZT actuator is cemented to the base of the beam, so the nonlinear absorber is made active, thus enabling the possibility of controlling the effective stiffness associated with the passive absorber and, as a consequence, the implementation of an active vibration control scheme able to preserve, as possible, the autoparametric interaction as well as to compensate varying excitation frequencies and parametric uncertainty. Finally, some simulations and experimental results are included to validate and illustrate the dynamic performance of the overall system.
International Nuclear Information System (INIS)
Eerdunchaolu; Xiao Xin; Han Chao; Xin Wei; Wuyunqimuge
2012-01-01
Based on the Huybrechts' linear-combination operator, effects of thermal lattice vibration on the effective potential of weak-coupling bipolaron in semiconductor quantum dots are studied by using the LLP variational method and quantum statistical theory. The results show that the absolute value of the induced potential of the bipolaron increases with increasing the electron-phonon coupling strength, but decreases with increasing the temperature and the distance of electrons, respectively; the absolute value of the effective potential increases with increasing the radius of the quantum dot, electron-phonon coupling strength and the distance of electrons, respectively, but decreases with increasing the temperature; the temperature and electron-phonon interaction have the important influence on the formation and state properties of the bipolaron: the bipolarons in the bound state are closer and more stable when the electron-phonon coupling strength is larger or the temperature is lower; the confinement potential and coulomb repulsive potential between electrons are unfavorable to the formation of bipolarons in the bound state. (condensed matter: electronic structure, electrical, magnetic, and optical properties)
Pennacchi, Paolo; Vania, Andrea
2008-07-01
The diagnostics of malfunctions that can cause catastrophic failures has to be made in early stage in the industrial environment. Often flexible couplings are employed in industrial rotating machines when gearboxes and heavy thermal gradients are present. The hot and cold alignment of these couplings can be very different. Severe misalignments can generate cracks in the stub shafts, which can propagate in operating condition. Owing to the flexural flexibility of the load coupling, the shaft vibrations may be not noticeably affected by some typical symptoms that usually point out the presence of a crack, like twice per revolution harmonics in the vibration spectrum. Anyhow, suitable diagnostic strategies can detect clear fault symptoms, while model-based methods can confirm the occurrence of the shaft bow induced by the progressive yielding of a load coupling due to a crack. This paper shows as a model-based diagnostic methodology would have allowed a crack in a load coupling of a gas turbine to be identified before a serious failure happened by means of the shaft vibration analysis under operating conditions and rated speed. Finally, the vibrations caused by the shaft bow due to the propagation of a crack in the stub shaft of the coupling have been simulated using suitable equivalent excitations, the magnitude and phase of which have been estimated by means of a model-based identification method.
International Nuclear Information System (INIS)
Sarvpreet Kaur; Mahajan, C.G.
1999-01-01
Three four-parameter potentials, U I , U II and U III have been proposed and their accuracy has been demonstrated by finding the mean square deviation from the true RKR potential curve for 15 electronic states of 12 diatomic molecules. Their percentage average mean square deviations from RKR curve have been found to be 1.45, 1.86 and 2.89 respectively. These compare favourably with the value 2.67 for the recently suggested four-parameter potential of Wei Hua which itself yields better results than the commonly employed three-parameter potentials. The superiority of the new potentials (especially of U I and U II ) has been further established by using these potentials to calculate the molecular constants α e and ω e χ e , following Dunham's method. The corresponding percentage average mean deviations for α e turn out to be 3.75, 5.13 and 15.43 and for ω e χ e 8.73, 17.23 and 27.49, respectively, against the respective values of 7.97 and 18.88 with Wei Hua's four-parameter potential. Also included are the values of dissociation energy determined with these potentials and these too corroborate the better performance of U I and U II . The relative worth of various potential functions has been further tested by carrying out numerical study of vibrational partition function (evaluated by sum over states method), entropy and thermal capacity for the ground state of 7 molecules and comparing these with the corresponding findings based on the RKR data. (author)
Energy flow analysis of out-of-plane vibration in coplanar coupled finite Mindlin plates
Directory of Open Access Journals (Sweden)
Young-Ho Park
2015-01-01
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.
Energy loss, equilibration, and thermodynamics of a baryon rich strongly coupled quark-gluon plasma
Energy Technology Data Exchange (ETDEWEB)
Rougemont, Romulo [Instituto de Física, Universidade de São Paulo, Rua do Matão, 1371, Butantã, CEP 05508-090, São Paulo, SP (Brazil); Ficnar, Andrej [Rudolf Peierls Centre for Theoretical Physics, University of Oxford, 1 Keble Road, Oxford OX1 3NP (United Kingdom); Finazzo, Stefano I. [Instituto de Física, Universidade de São Paulo, Rua do Matão, 1371, Butantã, CEP 05508-090, São Paulo, SP (Brazil); Instituto de Física Teórica, Universidade do Estado de São Paulo, Rua Dr. Bento T. Ferraz, 271, CEP 01140-070, São Paulo, SP (Brazil); Noronha, Jorge [Instituto de Física, Universidade de São Paulo, Rua do Matão, 1371, Butantã, CEP 05508-090, São Paulo, SP (Brazil); Department of Physics, Columbia University, 538 West 120th Street, New York, NY 10027 (United States)
2016-04-15
Lattice data for the QCD equation of state and the baryon susceptibility near the crossover phase transition (at zero baryon density) are used to determine the input parameters of a 5-dimensional Einstein-Maxwell-Dilaton holographic model that provides a consistent holographic framework to study both equilibrium and out-of-equilibrium properties of a hot and baryon rich strongly coupled quark-gluon plasma (QGP). We compare our holographic equation of state computed at nonzero baryon chemical potential, μ{sub B}, with recent lattice calculations and find quantitative agreement for the pressure and the speed of sound for μ{sub B}≤400 MeV. This holographic model is used to obtain holographic predictions for the temperature and μ{sub B} dependence of the drag force and the Langevin diffusion coefficients associated with heavy quark jet propagation as well as the jet quenching parameter q̂ and the shooting string energy loss of light quarks in the baryon dense plasma. We find that the energy loss of heavy and light quarks generally displays a nontrivial, fast-varying behavior as a function of the temperature near the crossover. Moreover, energy loss is also found to generally increase due to nonzero baryon density effects even though this strongly coupled liquid cannot be described in terms of well defined quasiparticle excitations. Furthermore, to get a glimpse of how thermalization occurs in a hot and baryon dense QGP, we study how the lowest quasinormal mode of an external massless scalar disturbance in the bulk is affected by a nonzero baryon charge. We find that the equilibration time associated with the lowest quasinormal mode decreases in a dense medium.
Rotational-vibrational coupling in the BPS Skyrme model of baryons
Energy Technology Data Exchange (ETDEWEB)
Adam, C.; Naya, C.; Sanchez-Guillen, J. [Departamento de Física de Partículas, Universidad de Santiago de Compostela and Instituto Galego de Física de Altas Enerxias (IGFAE), E-15782 Santiago de Compostela (Spain); Wereszczynski, A. [Institute of Physics, Jagiellonian University, Reymonta 4, Kraków (Poland)
2013-11-04
We calculate the rotational-vibrational spectrum in the BPS Skyrme model for the hedgehog skyrmion with baryon number one. The resulting excitation energies for the nucleon and delta Roper resonances are slightly above their experimental values. Together with the fact that in the standard Skyrme model these excitation energies are significantly lower than the experimental ones, this provides strong evidence for the conjecture that the inclusion of the BPS Skyrme model is required for a successful quantitative description of physical properties of baryons and nuclei.
Coupled transverse and torsional vibrations in a mechanical system with two identical beams
Vlase, S.; Marin, M.; Scutaru, M. L.; Munteanu, R.
2017-06-01
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.
The nonlinear dynamics of a spacecraft coupled to the vibration of a contained fluid
Peterson, Lee D.; Crawley, Edward F.; Hansman, R. John
1988-01-01
The dynamics of a linear spacecraft mode coupled to a nonlinear low gravity slosh of a fluid in a cylindrical tank is investigated. Coupled, nonlinear equations of motion for the fluid-spacecraft dynamics are derived through an assumed mode Lagrangian method. Unlike linear fluid slosh models, this nonlinear slosh model retains two fundamental slosh modes and three secondary modes. An approximate perturbation solution of the equations of motion indicates that the nonlinear coupled system response involves fluid-spacecraft modal resonances not predicted by either a linear, or a nonlinear, uncoupled slosh analysis. Experimental results substantiate the analytical predictions.
International Nuclear Information System (INIS)
Uvdal, P.; Wiegand, B.C.; Serafin, J.G.; Friend, C.M.
1992-01-01
The reactions of 2-propanol on Mo(110) were investigated using temperature programmed reaction, high resolution electron energy loss, and x-ray photoelectron spectroscopies. 2-Propanol forms 2-propoxide upon adsorption at 120 K on Mo(110). The 2-propoxide intermediate deoxygenates via selective γ C--H bond scission to eliminate propene as well as C--O bond hydrogenolysis to form trace amounts of propane. The C--O bond of 2-propoxide is estimated to be nearly perpendicular to the surface. Selective isotopic labeling was used to establish the coupling between the C--O stretch and modes associated with the hydrocarbon framework. The degree of coupling was strongly affected by bonding to the surface, primarily due to weakening of the C--O bond when 2-propoxide is bound to Mo(110). Selective isotopic labeling was, therefore, essential in making vibrational assignments and in identifying key reaction steps. Only a small kinetic isotope effect was observed during reaction of (CD 3 )(CH 3 )CHOH, consistent with a substantial component of C--O bond breaking in the transition state for propene elimination. Coupling of the C--O stretch to motion of the methyl group is also suggested to be important in the transition state for propene elimination
Directory of Open Access Journals (Sweden)
Colò Gianluca
2016-01-01
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.
Triple degree-of-freedom piezoelectric ultrasonic micromotor via flexural-axial coupled vibration.
Khoo, Ter Fong; Dang, Dinh Huy; Friend, James; Oetomo, Denny; Yeo, Leslie
2009-08-01
Actuators remain a limiting factor in robotics, especially in microrobotics where the power density of actuators is a problem. A 3 x 3 x 8.7 mm 3-axis piezoelectric ultrasonic micromotor system is described here in an effort to help solve this problem. Formed from 4 bulk lead zirconate titanate (PZT) thickness-polarized elements placed around the periphery of a rectangular rod, the stator is designed to combine axial and flexural vibrations in a way that permits rotation of a hardened steel ball as a rotor about an arbitrary axis. A simple prototype of the micromotor was found to produce at least a rotation speed of 10.4 rad/s with 4 microN-m torque about all 3 orthogonal directions at an excitation frequency of about 221 kHz, demonstrating the feasibility of a 3 degree-of-freedom millimeter-scale piezoelectric motor.
The free vibration of free-clamped fluid-coupled coaxial cylindrical shells
International Nuclear Information System (INIS)
Tani, Junji; Haiji, Hirohisa
1986-01-01
The linear free vibration of free-clamped coaxial cylinders partially filled with incompressible, inviscid liquid in the annular gap is investigated theoretically on the basis of the Donnell-type equations for cylinders and the velocity potential theory for liquid motion. The problem is solved by the modified Galerkin method. The initial axisymmetric deformation of the shell due to the static liquid pressure as well as the boundary condition on the free liquid surface are fully taken into consideration. It is found that the static liquid pressure and the liquid surface condition have a significant effect on the natural frequency, and that the interactive effect of the coaxial cylinders becomes small and the mode shape changes with an increase in the wave number and the annular gap. (author)
DEFF Research Database (Denmark)
Kuznetsov, A.M.; Ulstrup, Jens
2002-01-01
We present a new view and an analytical formalism of electron flow through a donor-acceptor molecule inserted between a pair of metal electrodes. The donor and acceptor levels are strongly coupled to an environmental nuclear continuum. The formalism applies to molecular donor-acceptor systems bot...
Directory of Open Access Journals (Sweden)
Yufei Liu
2015-01-01
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.
Directory of Open Access Journals (Sweden)
Xingjia Li
2017-01-01
Full Text Available A novel electric Gibbs function was proposed for the piezoelectric microbeams (PMBs by employing a modified couple stress theory. Based on the new Gibbs function and the Euler-Bernoulli beam theory, the governing equations which incorporate the effects of couple stress, flexoelectricity, and piezoelectricity were derived for the mechanics of PMBs. The analysis of the effective bending rigidity shows the effects of size and flexoelectricity can greaten the stiffness of PMBs so that the natural frequency increases significantly compared with the Euler-Bernoulli beam, and then the mechanical and electrical properties of PMBs are enhanced compared to the classical beam. This study can guide the design of microscale piezoelectric/flexoelectric structures which may find potential applications in the microelectromechanical systems (MEMS.
Miller, C. Cameron; Stone, Stephen C.; Philips, Laura A.
1995-01-01
The high-resolution infrared spectrum of 1-chloro-2-fluoroethane in a molecular beam was collected over the 2975-2994 cm-1 spectral region. The spectral region of 2975-2981 cm-1 contains a symmetric C-H stretching vibrational band of the gauche conformer containing the 35Cl isotope. The spectral region of 2985-2994 cm-1 contains three vibrational bands of the trans conformer. Two of the three bands are assigned as an antisymmetric C-H stretch of each of the two different chlorine isotopes. The third band is assigned as a symmetric C-H stretch of the 35Cl isotope. The gauche conformer of 1-chloro-2-fluoroethane showed doublet patterns similar to those previously observed in 1,2-difluoroethane. The model for 1,2-difluoroethane is further refined in the present work. These refinements suggest that the coupling dark state in 1,2-difluoroethane is composed of 1 quantum C-H bend, 1 quantum C-C stretch, and 12 quanta of torsion. For 1-chloro-2-fluoroethane the dark state could not be identified due to a small data set. The trans conformer of 1-chloro-2-fluoroethane showed no evidence of mode coupling in the three vibrational bands. Including 2-fluoroethanol in this series of molecules, the extent of vibrational mode coupling did not correlate with the density of states available for coupling. Therefore, density of states alone is insufficient to explain the observed trend. A correlation was observed between the degree of intramolecular interaction and vibrational mode coupling.
Temperature dependence of the vibrational spectra of acetanilide: Davydov solitons or Fermi coupling
Energy Technology Data Exchange (ETDEWEB)
Johnston, C.T.; Swanson, B.I.
1985-03-15
The unusual temperature dependence of the amide-I region in the IR spectrum of acetanilide (C/sub 6/H/sub 5/NHCOCH/sub 3/) has recently been attributed to a self-trapped Davydov-like soliton. The temperature dependence of the single-crystal Raman scattering from acetanilide and its N-D and /sup 13/C-O substituted analogs in the phonon and internal mode regions has now been studied. The behavior of the amide-I region in the Raman spectra of the normal isotopic species is similar to that observed earlier in infrared studies. However, on the basis of results obtained from the N-D and /sup 13/C-O substituted species the unusual temperature dependence in the 1650 cm/sup -1/ region has been attributed to Fermi coupling of the amide-I fundamental and a combination band involving the in-plane N-H deformation and a low-frequency torsional mode. As temperature is lowered, the strong blue-shift of the torsional mode results in a commensurate blue-shift in the combination level thereby increasing the Fermi coupling. Temperature tuning of the Fermi coupling results in the anomalous intensity changes observed in the IR and Raman spectra of the amide-I region for the normal isotopic species. 20 references, 3 figures.
Johnston, Clifford T.; Swanson, Basil I.
1985-03-01
The unusual temperature dependence of the amide-I region in the IR spectrum of acetanilide (C 6H 5NHCOCH 3) has recently been attributed to a self-trapped Davydov-like soliton. The temperature dependence of the single-crystal Raman scattering, from acetanilide and its ND and 13CO substituted analogs in the phonon and internal mode regions has now been studied. The behavior of the amide-I region in the Raman spectra of the normal isotopic species is similar to that observed earlier in infrared studies. However, on the basis of results obtained from the ND and 13CO substituted species the unusual temperature dependence in the 1650 cm -1 region has been attributed to Fermi coupling of the amide-I fundamental and a combination band involving the in-plane NH deformation and a low-frequency torsional mode. As temperature is lowered, the strong blue-shift of the torsional mode results in a commensurate blue-shift in the combination level thereby increasing the Fermi coupling. Temperature tuning of the Fermi coupling results in the anomalous intensity changes observed in the IR and Raman spectra of the amide-I region for the normal isotopic species.
Pan, Albert C; Cuello, Luis G; Perozo, Eduardo; Roux, Benoît
2011-12-01
The amount of ionic current flowing through K(+) channels is determined by the interplay between two separate time-dependent processes: activation and inactivation gating. Activation is concerned with the stimulus-dependent opening of the main intracellular gate, whereas inactivation is a spontaneous conformational transition of the selectivity filter toward a nonconductive state occurring on a variety of timescales. A recent analysis of multiple x-ray structures of open and partially open KcsA channels revealed the mechanism by which movements of the inner activation gate, formed by the inner helices from the four subunits of the pore domain, bias the conformational changes at the selectivity filter toward a nonconductive inactivated state. This analysis highlighted the important role of Phe103, a residue located along the inner helix, near the hinge position associated with the opening of the intracellular gate. In the present study, we use free energy perturbation molecular dynamics simulations (FEP/MD) to quantitatively elucidate the thermodynamic basis for the coupling between the intracellular gate and the selectivity filter. The results of the FEP/MD calculations are in good agreement with experiments, and further analysis of the repulsive, van der Waals dispersive, and electrostatic free energy contributions reveals that the energetic basis underlying the absence of inactivation in the F103A mutation in KcsA is the absence of the unfavorable steric interaction occurring with the large Ile100 side chain in a neighboring subunit when the intracellular gate is open and the selectivity filter is in a conductive conformation. Macroscopic current analysis shows that the I100A mutant indeed relieves inactivation in KcsA, but to a lesser extent than the F103A mutant.
International Nuclear Information System (INIS)
Jendrzejczyk, J.A.; Wambsganss, M.W.; Smith, R.K.; Rosas-Velez, P.
1993-08-01
To ensure successful operation of the APS, vibration of the storage ring quadrupole magnets must be limited to very low levels for frequencies >10 Hz. There will be many sources of vibration, such as pumps, fans, compressors, generators, and other rotating and reciprocating machinery when the APS is operational. In general, such vibration sources are isolated from the structural components and base foundations by vibration dampers and isolators. Pumps are typically mounted on seismic isolators, which are massive bases with response frequencies of <10 Hz, and fans are mounted with elastic-type isolators to minimize vibration coupling. The attenuation of expansion/isolation joints is a very important factor in predicting the response of the storage ring basemat to the various excitation sources. Several 75-hp pumps are located on the balcony of the rf extraction wing, which is close to the storage ring basemat. The pumps per se may prove to be a vibration excitation source of concern. Additional pumps will be placed in the RF extraction building and could add to the vibration levels. If the dynamic unbalance force of the pump motor, and the efficiency of the associated expansion joints were known, one could predict the response of the storage ring basemat. This information would also be useful in determining the placement of additional pumps. This report discusses vibration tests and measurements that were performed on July 28, 1993, in the rf extraction building. The purpose of the investigation was to study the efficiency of two specific expansion joints: (1) the joint that separates a structural column pad from the extraction wing floor, and (2) the joint that separates the extraction wing floor from the roof of the storage ring tunnel. A small electrodynamic exciter, with a maximum RMS force output of ∼0.5 lb at the frequencies of interest, was used
Experimental vibration study of in-air and fluid coupled co-axial cylinders
International Nuclear Information System (INIS)
Chu, M.; Brown, S.; Lestingi, J.
1979-01-01
It was the objective of this study to develop and carry out an experimental program which would provide additional insight into the mechanics of fluid--solid interaction with respect to the response of a set of coaxial cylinders with water in the annulus. Such configurations are found in nuclear reactors in the vessel wall-thermal liner. The effects of cylinder thickness and the fluid filled annulus gap size on the resonant frequencies and mode shapes of the cylinders (either singly or coupled in air and a water environment) are presented in this paper; also included is an evaluation of damping for selected gaps and cylinder thicknesses. Details of the experimental setup and procedures are also outlined
Directory of Open Access Journals (Sweden)
Chunyu Zhao
2009-01-01
Full Text Available The paper focuses on the quantitative analysis of the coupling dynamic characteristics of two non-identical exciters in a non-resonant vibrating system. The load torque of each motor consists of three items, including the torque of sine effect of phase angles, that of coupling sine effect and that of coupling cosine effect. The torque of frequency capture results from the torque of coupling cosine effect, which is equal to the product of the coupling kinetic energy, the coefficient of coupling cosine effect, and the sine of phase difference of two exciters. The motions of the system excited by two exciters in the same direction make phase difference close to π and that in opposite directions makes phase difference close to 0. Numerical results show that synchronous operation is stable when the dimensionless relative moments of inertia of two exciters are greater than zero and four times of their product is greater than the square of their coefficient of coupling cosine effect. The stability of the synchronous operation is only dependent on the structural parameters of the system, such as the mass ratios of two exciters to the vibrating system, and the ratio of the distance between an exciter and the centroid of the system to the equivalent radius of the system about its centroid.
Houjou, Hirohiko
2011-10-01
Using theory of harmonic normal-mode vibration analysis, we developed a procedure for evaluating the anisotropic stiffness of intermolecular forces. Our scheme for coarse-graining of molecular motions is modified so as to account for intramolecular vibrations in addition to relative translational/rotational displacement. We applied this new analytical scheme to four carboxylic acid dimers, for which coupling between intra- and intermolecular vibrations is crucial for determining the apparent stiffness of the intermolecular double hydrogen bond. The apparent stiffness constant was analyzed on the basis of a conjunct spring model, which defines contributions from true intermolecular stiffness and molecular internal stiffness. Consequently, the true intermolecular stiffness was in the range of 43-48 N m-1 for all carboxylic acids studied, regardless of the molecules' acidity. We concluded that the difference in the apparent stiffness can be attributed to differences in the internal stiffness of the respective molecules.
Zhang, Lucy T; Yang, Jubiao
2016-12-01
In this work we explore the aerodynamics flow characteristics of a coupled fluid-structure interaction system using a generalized Bernoulli equation derived directly from the Cauchy momentum equations. Unlike the conventional Bernoulli equation where incompressible, inviscid, and steady flow conditions are assumed, this generalized Bernoulli equation includes the contributions from compressibility, viscous, and unsteadiness, which could be essential in defining aerodynamic characteristics. The application of the derived Bernoulli's principle is on a fully-coupled fluid-structure interaction simulation of the vocal folds vibration. The coupled system is simulated using the immersed finite element method where compressible Navier-Stokes equations are used to describe the air and an elastic pliable structure to describe the vocal fold. The vibration of the vocal fold works to open and close the glottal flow. The aerodynamics flow characteristics are evaluated using the derived Bernoulli's principles for a vibration cycle in a carefully partitioned control volume based on the moving structure. The results agree very well to experimental observations, which validate the strategy and its use in other types of flow characteristics that involve coupled fluid-structure interactions.
Zhang, Lucy T.; Yang, Jubiao
2017-01-01
In this work we explore the aerodynamics flow characteristics of a coupled fluid-structure interaction system using a generalized Bernoulli equation derived directly from the Cauchy momentum equations. Unlike the conventional Bernoulli equation where incompressible, inviscid, and steady flow conditions are assumed, this generalized Bernoulli equation includes the contributions from compressibility, viscous, and unsteadiness, which could be essential in defining aerodynamic characteristics. The application of the derived Bernoulli’s principle is on a fully-coupled fluid-structure interaction simulation of the vocal folds vibration. The coupled system is simulated using the immersed finite element method where compressible Navier-Stokes equations are used to describe the air and an elastic pliable structure to describe the vocal fold. The vibration of the vocal fold works to open and close the glottal flow. The aerodynamics flow characteristics are evaluated using the derived Bernoulli’s principles for a vibration cycle in a carefully partitioned control volume based on the moving structure. The results agree very well to experimental observations, which validate the strategy and its use in other types of flow characteristics that involve coupled fluid-structure interactions. PMID:29527541
An algorithm for leak locating using coupled vibration of pipe-water
International Nuclear Information System (INIS)
Lee, Young Sup; Yoon, Dong Jin
2004-01-01
Leak noise is a good source to identify the exact location of a leak point of underground water pipelines. Water leak generates broadband sound from a leak location and this sound propagation due to leak in water pipelines is not a non-dispersive wave any more because of the surrounding pipes and soil. However, the necessity of long-range detection of this leak location makes to identify low-frequency acoustic waves rather than high frequency ones. Acoustic wave propagation coupled with surrounding boundaries including cast iron pipes is theoretically analyzed and the wave velocity was confirmed with experiment. The leak locations were identified both by the Acoustic Emission (AE) method and the cross-correlation method. In a short-range distance, both the AE method and cross-correlation method are effective to detect leak position. However, the detection for a long-range distance required a lower frequency range accelerometers only because higher frequency waves were attenuated very quickly with the increase of propagation paths. Two algorithms for the cross-correlation function were suggested, and a long-range detection has been achieved at real underground water pipelines longer than 300m
Struts, A. V.; Barmasov, A. V.; Brown, M. F.
2015-05-01
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.
Ghadiri, Majid; Shafiei, Navvab
2016-04-01
In this study, thermal vibration of rotary functionally graded Timoshenko microbeam has been analyzed based on modified couple stress theory considering temperature change in four types of temperature distribution on thermal environment. Material properties of FG microbeam are supposed to be temperature dependent and vary continuously along the thickness according to the power-law form. The axial forces are also included in the model as the thermal and true spatial variation due to the rotation. Governing equations and boundary conditions have been derived by employing Hamiltonian's principle. The differential quadrature method is employed to solve the governing equations for cantilever and propped cantilever boundary conditions. Validations are done by comparing available literatures and obtained results which indicate accuracy of applied method. Results represent effects of temperature changes, different boundary conditions, nondimensional angular velocity, length scale parameter, different boundary conditions, FG index and beam thickness on fundamental, second and third nondimensional frequencies. Results determine critical values of temperature changes and other essential parameters which can be applicable to design micromachines like micromotor and microturbine.
Ghadiri, Majid; Shafiei, Navvab; Alireza Mousavi, S.
2016-09-01
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.
Golibrzuch, Kai; Shirhatti, Pranav R; Altschäffel, Jan; Rahinov, Igor; Auerbach, Daniel J; Wodtke, Alec M; Bartels, Christof
2013-09-12
Translational motion is believed to be a spectator degree of freedom in electronically nonadiabatic vibrational energy transfer between molecules and metal surfaces, but the experimental evidence available to support this view is limited. In this work, we have experimentally determined the translational inelasticity in collisions of NO molecules with a single-crystal Au(111) surface-a system with strong electronic nonadiabaticity. State-to-state molecular beam surface scattering was combined with an IR-UV double resonance scheme to obtain high-resolution time-of-flight data. The measurements include vibrationally elastic collisions (v = 3→3, 2→2) as well as collisions where one or two quanta of molecular vibration are excited (2→3, 2→4) or de-excited (2→1, 3→2, 3→1). In addition, we have carried out comprehensive measurements of the effects of rotational excitation on the translational energy of the scattered molecules. We find that under all conditions of this work, the NO molecules lose a large fraction (∼0.45) of their incidence translational energy to the surface. Those molecules that undergo vibrational excitation (relaxation) during the collision recoil slightly slower (faster) than vibrationally elastically scattered molecules. The amount of translational energy change depends on the surface temperature. The translation-to-rotation coupling, which is well-known for v = 0→0 collisions, is found to be significantly weaker for vibrationally inelastic than elastic channels. Our results clearly show that the spectator view of the translational motion in electronically nonadiabatic vibrational energy transfer between NO and Au(111) is only approximately correct.
Guichard, F.; Kergoat, L.; Mougin, E.; Timouk, F.; Bock, O.; Hiernaux, P.
2009-04-01
the total incoming radiation is limited to shorter time scales in Summer over this Central Sahelian location. However, observations also reveal astonishing radiative signatures of the monsoon on the surface incoming radiative flux. The incoming longwave flux does not reach its maximum during the monsoon season when the atmosphere is the most cloudy and humid, but earlier, prior to the onset of rainfall, as the dry and warmer atmosphere suddenly becomes moist. This feature points to the significance of the atmospheric cooling during the monsoon season and of the aerosol amounts in Spring. It also reveals that prior to the rainfall onset, the monsoon flow plays a major role on the diurnal cycle of the low-level temperature, due to its radiative properties. Conversely, the incoming solar radiation at the surface increases slightly from late Spring to the core monsoon season even though the atmosphere becomes moister and cloudier; this again involves the high aerosol optical thickness prevailing in late Spring and early Summer against a weaker shortwave forcing by monsoon clouds. The climatological combination of thermodynamic and radiative variations taking place during the monsoon eventually leads to a positive correlation between the equivalent potential temperature and Rnet. This correlation is, in turn, broadly consistent with an overall positive soil moisture rainfall feedback at this scale. Beyond these Sahelian-specific features, and in agreement with some previous studies, strong links are found between the atmospheric humidity and the net longwave flux, LWnet at the surface all year long, even across the much lower humidity ranges encountered in this region. They point to, and locally quantify the major control of water vapour and water-related processes on the surface-atmosphere thermal coupling as measured by LWnet. Namely, they are found to be more tightly coupled (LWnet closer to 0) when the atmosphere is moister and cloudier. Observational results such as
Broadley, Kenneth J; Sykes, Shane C; Davies, Robin H
2010-11-15
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.
International Nuclear Information System (INIS)
Moog, H.C.; Keesmann, S.M.
2007-02-01
This paper reports on the project ''Coupling transport models with thermodynamic equilibrium calculations'' - short title EQLINK, promotion code number 02 E 9723 - in the which the scope for coupling thermodynamic equilibrium model calculations with EMOS was expanded and improved. The first step was to inquire into the current state of research on radiolytic processes. It transpired that there is currently no conclusive description of radiolytic processes. The existing descriptions are too complex and too narrowly geared to specific scenarios to allow a general view on radiolytic processes, which would be a prerequisite for creating suitable long-term geochemical safety analysis modules. It appears that the approximation calculations implemented in EMOS tend to overestimate rather than underestimate radiolytic gas formation. The thermodynamic database which is used at GRS (Society for Plant and Reactor Safety) as a basis for coupled transport calculations has been updated. For this purpose the radionuclide database of the Institut fuer Nukleare Entsorgung (INE = Institute for Nuclear Disposal) was converted to an in-house format which permits creating parameter files for specific requirements. The data of the INE comprise thermodynamic parameters such as equilibrium constants, Gibbs free enthalpies of formation, enthalpies and entropies of formation and Pitzer parameters, which are required for model calculations on high-saline solutions. The database for low-saline solutions which had been developed by PSI/NAGRA for calculations with CLAYPOS was also adopted. Both parameter sets were subjected to test calculations to detect any errors that might have occurred during the data transfer. It is thus now possible to perform coupled transport calculations with the EMOS modules LOPOS and CLAYPOS according to the state of the art of geochemical research. The EQLINK interface which had been developed in an earlier project, titled ''Development of a model for describing the
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)
2017-02-15
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.
Klegerman, Melvin E; Zou, Yuejiao; Golunski, Eva; Peng, Tao; Huang, Shao-Ling; McPherson, David D
2014-09-01
Thermodynamic analysis of ligand-target binding has been a useful tool for dissecting the nature of the binding mechanism and, therefore, potentially can provide valuable information regarding the utility of targeted formulations. Based on a consistent coupling of antibody-antigen binding and gel-liquid crystal transition energetics observed for antibody-phosphatidylethanolamine (Ab-PE) conjugates, we hypothesized that the thermodynamic parameters and the affinity for antigen of the Ab-PE conjugates could be effectively predicted once the corresponding information for the unconjugated antibody is determined. This hypothesis has now been tested in nine different antibody-targeted echogenic liposome (ELIP) preparations, where antibody is conjugated to dipalmitoylphosphatidylethanolamine (DPPE) head groups through a thioether linkage. Predictions were satisfactory (affinity not significantly different from the population of values found) in five cases (55.6%), but the affinity of the unconjugated antibody was not significantly different from the population of values found in six cases (66.7%), indicating that the affinities of the conjugated antibody tended not to deviate appreciably from those of the free antibody. While knowledge of the affinities of free antibodies may be sufficient to judge their suitability as targeting agents, thermodynamic analysis may still provide valuable information regarding their usefulness for specific applications.
Directory of Open Access Journals (Sweden)
Bingfeng Ju
2011-03-01
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.
Yan, Tianhong; Xu, Xinsheng; Han, Jianqiang; Lin, Rongming; Ju, Bingfeng; Li, Qing
2011-01-01
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.
Investigation of block foundations resting on soil–rock and rock–rock media under coupled vibrations
Directory of Open Access Journals (Sweden)
Renuka Darshyamkar
2017-04-01
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.
Langlois, A.; Royer, A.; Derksen, C.; Montpetit, B.; Dupont, F.; GoïTa, K.
2012-12-01
Satellite-passive microwave remote sensing has been extensively used to estimate snow water equivalent (SWE) in northern regions. Although passive microwave sensors operate independent of solar illumination and the lower frequencies are independent of atmospheric conditions, the coarse spatial resolution introduces uncertainties to SWE retrievals due to the surface heterogeneity within individual pixels. In this article, we investigate the coupling of a thermodynamic multilayered snow model with a passive microwave emission model. Results show that the snow model itself provides poor SWE simulations when compared to field measurements from two major field campaigns. Coupling the snow and microwave emission models with successive iterations to correct the influence of snow grain size and density significantly improves SWE simulations. This method was further validated using an additional independent data set, which also showed significant improvement using the two-step iteration method compared to standalone simulations with the snow model.
Grossman, B.; Cinella, P.
1988-01-01
A finite-volume method for the numerical computation of flows with nonequilibrium thermodynamics and chemistry is presented. A thermodynamic model is described which simplifies the coupling between the chemistry and thermodynamics and also results in the retention of the homogeneity property of the Euler equations (including all the species continuity and vibrational energy conservation equations). Flux-splitting procedures are developed for the fully coupled equations involving fluid dynamics, chemical production and thermodynamic relaxation processes. New forms of flux-vector split and flux-difference split algorithms are embodied in a fully coupled, implicit, large-block structure, including all the species conservation and energy production equations. Several numerical examples are presented, including high-temperature shock tube and nozzle flows. The methodology is compared to other existing techniques, including spectral and central-differenced procedures, and favorable comparisons are shown regarding accuracy, shock-capturing and convergence rates.
Ozturk, Koray
The thermodynamic database for the Mg-Al-Ca-Sr quaternary system was constructed by combining the thermodynamic descriptions of the constituent binary systems. There are six binaries in the quaternary system: Al-Ca, Al-Mg, Al-Sr, Ca-Sr, Ca-Mg and Mg-Sr. Only two of them had been absent from the databases: Al-Ca and Ca-Sr. Therefore, they were investigated in detail to develop their thermodynamic descriptions. They were evaluated using Thermo-Calc, the software developed at The Royal Institute of Technology, Sweden. It is based on the CALPHAD approach. The modeling in CALPHAD approach relies on the Gibbs energy of individual phases. Therefore, the Gibbs energy functions for each phase in the binaries were defined in the binary databases. The Ca-Sr system was modeled by using random solution model. In modeling of the Al-Ca system, both random solution and associate models were applied to liquid phase. It was also demonstrated for the Al-Ca that the first-principles calculations provide reliable enthalpies of formation for stoichiometric compounds. The constructed quaternary database were used to calculate the liquidus projections of the ternary Mg-Al-Ca, Mg-Al-Sr, Mg-Ca-Sr and Al-Ca-Sr systems. Their primary crystallization fields and invariant reaction points were determined. Two Mg-based Mg-Al-Ca alloys were studied experimentally. The equilibrium phases in the alloys were determined after heat treatment. The present experimental results as well as the literature data were compared with the present thermodynamic calculations. The database was also utilized to understand the microstructures and phase relationships of the two quaternary alloys. Scheil simulations and equilibrium calculations were performed for the solidification process and compared with experimental observations.
International Nuclear Information System (INIS)
Hwang, Jeong Ui; Jang, Jong Jae; Jee, Jong Gi
1987-01-01
The contents of this book are thermodynamics on the law of thermodynamics, classical thermodynamics and molecule thermodynamics, basics of molecule thermodynamics, molecule and assembly partition function, molecule partition function, classical molecule partition function, thermodynamics function for ideal assembly in fixed system, thermodynamics function for ideal assembly in running system, Maxwell-Boltzmann's law of distribution, chemical equilibrium like calculation of equilibrium constant and theory of absolute reaction rate.
International Nuclear Information System (INIS)
Appoloni, C.R.
1983-01-01
The angular distribution of the elastic and inelastic scattering of a particles corresponding to the excitation of the low-lying collective states of 142 Ce were measured at an incident energy of 18.0 MeV. The angular distribution of the following excited states were obtained: 641, 1.219, 1.450, 1.536, 1.653, 1.742, 2.004, 2.043, 2.114, 2.125, 2.279, 2.364, 2.542, 2.604 e 3.067 MeV. The angular distributions of the ground state and the first six excited states were analysed within the flamework of the Anharmonic Vibrational and Symmetric Rotational Models, with the Coupled Channel Theory. The Anharmonic Vibrational Model gave the best and most complete description of the experimental data. The wave functions and the deformation parameters of the analysed states were determined. (Author) [pt
International Nuclear Information System (INIS)
Kvasil, J.; Hrivnacova, I.; Nesterenko, V.O.
1990-01-01
The microscopic approach for description of low-lyinig states in deformed odd-odd nuclei is formulated as a generalization of the quasiparticle-phonon model (QPM) with including the rotational degrees of freedom and n-p interaction between external nucleons into the QPM. In comparison with other models, the approach proposed includes all three the most important effects coupling with rotational and vibrational degrees of freedom of doubly-even core and p-n interaction mentioned above even treates them on the microscopic base. 36 refs
International Nuclear Information System (INIS)
Ringwelski, S; Gabbert, U
2010-01-01
A recently developed approach for the simulation and design of a fluid-loaded lightweight structure with surface-mounted piezoelectric actuators and sensors capable of actively reducing the sound radiation and the vibration is presented. The objective of this paper is to describe the theoretical background of the approach in which the FEM is applied to model the actively controlled shell structure. The FEM is also employed to model finite fluid domains around the shell structure as well as fluid domains that are partially or totally bounded by the structure. Boundary elements are used to characterize the unbounded acoustic pressure fields. The approach presented is based on the coupling of piezoelectric and acoustic finite elements with boundary elements. A coupled finite element–boundary element model is derived by introducing coupling conditions at the fluid–fluid and fluid–structure interfaces. Because of the possibility of using piezoelectric patches as actuators and sensors, feedback control algorithms can be implemented directly into the multi-coupled structural–acoustic approach to provide a closed-loop model for the design of active noise and vibration control. In order to demonstrate the applicability of the approach developed, a number of test simulations are carried out and the results are compared with experimental data. As a test case, a box-shaped shell structure with surface-mounted piezoelectric actuators and four sensors and an open rearward end is considered. A comparison between the measured values and those predicted by the coupled finite element–boundary element model shows a good agreement
Ahmed, Mohammed; Namboodiri, V; Singh, Ajay K; Mondal, Jahur A
2014-10-28
The hydration energy of an ion largely resides within the first few layers of water molecules in its hydration shell. Hence, it is important to understand the transformation of water properties, such as hydrogen-bonding, intermolecular vibrational coupling, and librational freedom in the hydration shell of ions. We investigated these properties in the hydration shell of mono- (Cl(-) and I(-)) and bivalent (SO4(2-) and CO3(2-)) anions by using Raman multivariate curve resolution (Raman-MCR) spectroscopy in the OH stretch, HOH bend, and [bend+librational] combination bands of water. Raman-MCR of aqueous Na-salt (NaCl, NaI, Na2SO4, and Na2CO3) solutions provides ion-correlated spectra (IC-spectrum) which predominantly bear the vibrational characteristics of water in the hydration shell of respective anions. Comparison of these IC-spectra with the Raman spectrum of bulk water in different spectral regions reveals that the water is vibrationally decoupled with its neighbors in the hydration shell. Hydrogen-bond strength and librational freedom also vary with the nature of anion: hydrogen-bond strength, for example, decreases as CO3(2-) > SO4(2-) > bulk water ≈ Cl(-) > I(-); and the librational freedom increases as CO3(2-) ≈ SO4(2-) water water in the hydration shell of anions.
DEFF Research Database (Denmark)
Sjökvist, Lars-Göran; Brunskog, Jonas
2013-01-01
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...
Suresh, S.; Gunasekaran, S.; Srinivasan, S.
2015-03-01
The solid phase FT-IR and FT-Raman spectra of 4-Hydroxy-2-methyl-N-(2-pyridinyl)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide (Piroxicam) have been recorded in the region 4000-400 and 4000-100 cm-1 respectively. The molecular geometry, harmonic vibrational frequencies and bonding features of piroxicam in the ground state have been calculated by Hartree-Fock (HF) and density functional theory (DFT) methods using 6-311++G(d,p) basis set. The calculated harmonic vibrational frequencies are scaled and they are compared with experimental obtained by FT-IR and FT-Raman spectra. A detailed interpretation of the vibrational spectra of the title compound has been made on the basis of the calculated potential energy distribution (PED). The electronic properties, such as HOMO and LUMO energies, molecular electrostatic potential (MESP) are also performed. The linear polarizability (α) and the first order hyper polarizability (β) values of the title compound have been computed. The molecular stability arising from hyper conjugative interaction, charge delocalization has been analyzed using natural bond orbital (NBO) analysis.
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
Zheng, Chang-Jun; Bi, Chuan-Xing; Zhang, Chuanzeng; Gao, Hai-Feng; Chen, Hai-Bo
2018-04-01
The vibration behavior of thin elastic structures can be noticeably influenced by the surrounding water, which represents a kind of heavy fluid. Since the feedback of the acoustic pressure onto the structure cannot be neglected in this case, a strong coupled scheme between the structural and fluid domains is usually required. In this work, a coupled finite element and boundary element (FE-BE) solver is developed for the free vibration analysis of structures submerged in an infinite fluid domain or a semi-infinite fluid domain with a free water surface. The structure is modeled by the finite element method (FEM). The compressibility of the fluid is taken into account, and hence the Helmholtz equation serves as the governing equation of the fluid domain. The boundary element method (BEM) is employed to model the fluid domain, and a boundary integral formulation with a half-space fundamental solution is used to satisfy the Dirichlet boundary condition on the free water surface exactly. The resulting nonlinear eigenvalue problem (NEVP) is converted into a small linear one by using a contour integral method. Adequate modifications are suggested to improve the efficiency of the contour integral method and avoid missing the eigenfrequencies of interest. The Burton-Miller method is used to filter out the fictitious eigenfrequencies of the boundary integral formulations. Numerical examples are given to demonstrate the accuracy and applicability of the developed eigensolver, and also show that the fluid-loading effect strongly depends on both the water depth and the mode shapes.
Nguyen-Thanh, Nhon; Li, Weidong; Zhou, Kun
2018-03-01
This paper develops a coupling approach which integrates the meshfree method and isogeometric analysis (IGA) for static and free-vibration analyses of cracks in thin-shell structures. In this approach, the domain surrounding the cracks is represented by the meshfree method while the rest domain is meshed by IGA. The present approach is capable of preserving geometry exactness and high continuity of IGA. The local refinement is achieved by adding the nodes along the background cells in the meshfree domain. Moreover, the equivalent domain integral technique for three-dimensional problems is derived from the additional Kirchhoff-Love theory to compute the J-integral for the thin-shell model. The proposed approach is able to address the problems involving through-the-thickness cracks without using additional rotational degrees of freedom, which facilitates the enrichment strategy for crack tips. The crack tip enrichment effects and the stress distribution and displacements around the crack tips are investigated. Free vibrations of cracks in thin shells are also analyzed. Numerical examples are presented to demonstrate the accuracy and computational efficiency of the coupling approach.
International Nuclear Information System (INIS)
Duthil, P
2014-01-01
The goal of this paper is to present a general thermodynamic basis that is useable in the context of superconductivity and particle accelerators. The first part recalls the purpose of thermodynamics and summarizes its important concepts. Some applications, from cryogenics to magnetic systems, are covered. In the context of basic thermodynamics, only thermodynamic equilibrium is considered
Energy Technology Data Exchange (ETDEWEB)
Duthil, P [Orsay, IPN (France)
2014-07-01
The goal of this paper is to present a general thermodynamic basis that is useable in the context of superconductivity and particle accelerators. The first part recalls the purpose of thermodynamics and summarizes its important concepts. Some applications, from cryogenics to magnetic systems, are covered. In the context of basic thermodynamics, only thermodynamic equilibrium is considered.
Zhao, Y.; Qin, R. S.; Chen, D. F.
2013-08-01
A three-dimensional (3D) cellular automata (CA) model has been developed for the simulation of microstructure evolution in alloy solidification. The governing rule for the CA model is associated with the phase transition driving force which is obtained via a thermodynamic database. This determines the migration rate of the non-equilibrium solid-liquid (SL) interface and is calculated according to the local temperature and chemical composition. The curvature of the interface and the anisotropic property of the surface energy are taken into consideration. A 3D finite element (FE) method is applied for the calculation of transient heat and mass transfer. Numerical calculations for the solidification of Fe-1.5 wt% C alloy have been performed. The morphological evolution of dendrites, carbon segregation and temperature distribution in both isothermal and non-isothermal conditions are studied. The parameters affecting the growth of equiaxed and columnar dendrites are discussed. The calculated results are verified using the analytical model and previous experiments. The method provides a sophisticated approach to the solidification of multi-phase and multi-component systems.
Energy Technology Data Exchange (ETDEWEB)
Kruse, N.A., E-mail: natalie.kruse@ncl.ac.uk [Sir Joseph Swan Institute for Energy Research, Newcastle University, Newcastle upon Tyne NE1 7RU (United Kingdom); Younger, P.L. [Sir Joseph Swan Institute for Energy Research, Newcastle University, Newcastle upon Tyne NE1 7RU (United Kingdom)
2009-07-15
Accurate modeling of changing geochemistry in mine water can be an important tool in post-mining site management. The Pollutant Sources and Sinks in Underground Mines (POSSUM) model and Pollutant Loadings Above Average Pyrite Influenced Geochemistry POSSUM (PLAYING POSSUM) model were developed using object-oriented programming techniques to simulate changing geochemistry in abandoned underground mines over time. The conceptual model was created to avoid significant simplifying assumptions that decrease the accuracy and defensibility of model solutions. POSSUM and PLAYING POSSUM solve for changes in flow rate and depth of flow using a finite difference hydrodynamics model then, subsequently, solve for geochemical changes at distinct points along the flow path. Geochemical changes are modeled based on a suite of 28 kinetically controlled mineral weathering reactions. Additional geochemical transformations due to reversible sorption, dissolution and precipitation of acid generating salts and mineral precipitation are also simulated using simplified expressions. Contaminant transport is simulated using a novel application of the Random-Walk method. By simulating hydrogeochemical changes with a physically and thermodynamically controlled model, the 'state of the art' in post-mining management can be advanced.
International Nuclear Information System (INIS)
Lim, Gyeong Hui
2008-03-01
This book consists of 15 chapters, which are basic conception and meaning of statistical thermodynamics, Maxwell-Boltzmann's statistics, ensemble, thermodynamics function and fluctuation, statistical dynamics with independent particle system, ideal molecular system, chemical equilibrium and chemical reaction rate in ideal gas mixture, classical statistical thermodynamics, ideal lattice model, lattice statistics and nonideal lattice model, imperfect gas theory on liquid, theory on solution, statistical thermodynamics of interface, statistical thermodynamics of a high molecule system and quantum statistics
O'Neill, Luke; Lynch, Patrick; McNamara, Mary; Byrne, Hugh J.
2005-01-01
A series of π conjugated systems were studied by absorption, photoluminescence and vibrational spectroscopy. As is common for these systems, a linear relationship between the positioning of the absorption and photoluminescence maxima plotted against inverse conjugation length is observed. The relationships are in good agreement with the simple particle in a box method, one of the earliest descriptions of the properties of one-dimensional organic molecules. In addition to the electronic transi...
Montefusco, Alberto; Consonni, Francesco; Beretta, Gian Paolo
2015-04-01
By reformulating the steepest-entropy-ascent (SEA) dynamical model for nonequilibrium thermodynamics in the mathematical language of differential geometry, we compare it with the primitive formulation of the general equation for the nonequilibrium reversible-irreversible coupling (GENERIC) model and discuss the main technical differences of the two approaches. In both dynamical models the description of dissipation is of the "entropy-gradient" type. SEA focuses only on the dissipative, i.e., entropy generating, component of the time evolution, chooses a sub-Riemannian metric tensor as dissipative structure, and uses the local entropy density field as potential. GENERIC emphasizes the coupling between the dissipative and nondissipative components of the time evolution, chooses two compatible degenerate structures (Poisson and degenerate co-Riemannian), and uses the global energy and entropy functionals as potentials. As an illustration, we rewrite the known GENERIC formulation of the Boltzmann equation in terms of the square root of the distribution function adopted by the SEA formulation. We then provide a formal proof that in more general frameworks, whenever all degeneracies in the GENERIC framework are related to conservation laws, the SEA and GENERIC models of the dissipative component of the dynamics are essentially interchangeable, provided of course they assume the same kinematics. As part of the discussion, we note that equipping the dissipative structure of GENERIC with the Leibniz identity makes it automatically SEA on metric leaves.
Porchelvi, E. Elamurugu; Muthu, S.
2015-01-01
The thiosemicarbazone compound, Salicylaldehyde p-methylphenylthiosemicarbazone (abbreviated as SMPTSC) was synthesized and characterized by FTIR, FT-Raman and UV. Density functional (DFT) calculations have been carried out for the title compound by performing DFT level of theory using B3LYP/6-31++G(d,p) basis set. The molecular geometry and vibrational frequencies were calculated and compared with the experimental data. The detailed interpretation of the vibrational spectra has been carried out with aid of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology. The electronic dipole moment (μD) and the first hyperpolarizability (βtot) values of the investigated molecule were computed using density functional theory (DFT/B3LYP) with 6-311++G(d,p) basis set. The stability and charge delocalization of the molecule was studied by natural bond orbital (NBO) analysis. Thearomaticities of the phenyl rings were studied using the standard harmonic oscillator model of aromaticity (HOMA) index. Mulliken population analysis on atomic charges is also calculated. The molecule orbital contributions are studied by density of energy states (DOSs).
Woys, Ann Marie; Almeida, Aaron M; Wang, Lu; Chiu, Chi-Cheng; McGovern, Michael; de Pablo, Juan J; Skinner, James L; Gellman, Samuel H; Zanni, Martin T
2012-11-21
Infrared spectroscopy is playing an important role in the elucidation of amyloid fiber formation, but the coupling models that link spectra to structure are not well tested for parallel β-sheets. Using a synthetic macrocycle that enforces a two stranded parallel β-sheet conformation, we measured the lifetimes and frequency for six combinations of doubly (13)C═(18)O labeled amide I modes using 2D IR spectroscopy. The average vibrational lifetime of the isotope labeled residues was 550 fs. The frequencies of the labels ranged from 1585 to 1595 cm(-1), with the largest frequency shift occurring for in-register amino acids. The 2D IR spectra of the coupled isotope labels were calculated from molecular dynamics simulations of a series of macrocycle structures generated from replica exchange dynamics to fully sample the conformational distribution. The models used to simulate the spectra include through-space coupling, through-bond coupling, and local frequency shifts caused by environment electrostatics and hydrogen bonding. The calculated spectra predict the line widths and frequencies nearly quantitatively. Historically, the characteristic features of β-sheet infrared spectra have been attributed to through-space couplings such as transition dipole coupling. We find that frequency shifts of the local carbonyl groups due to nearest neighbor couplings and environmental factors are more important, while the through-space couplings dictate the spectral intensities. As a result, the characteristic absorption spectra empirically used for decades to assign parallel β-sheet secondary structure arises because of a redistribution of oscillator strength, but the through-space couplings do not themselves dramatically alter the frequency distribution of eigenstates much more than already exists in random coil structures. Moreover, solvent exposed residues have amide I bands with >20 cm(-1) line width. Narrower line widths indicate that the amide I backbone is solvent
Ngai, K L; Habasaki, J; Prevosto, D; Capaccioli, S; Paluch, Marian
2012-07-21
By now it is well established that the structural α-relaxation time, τ(α), of non-associated small molecular and polymeric glass-formers obey thermodynamic scaling. In other words, τ(α) is a function Φ of the product variable, ρ(γ)/T, where ρ is the density and T the temperature. The constant γ as well as the function, τ(α) = Φ(ρ(γ)/T), is material dependent. Actually this dependence of τ(α) on ρ(γ)/T originates from the dependence on the same product variable of the Johari-Goldstein β-relaxation time, τ(β), or the primitive relaxation time, τ(0), of the coupling model. To support this assertion, we give evidences from various sources itemized as follows. (1) The invariance of the relation between τ(α) and τ(β) or τ(0) to widely different combinations of pressure and temperature. (2) Experimental dielectric and viscosity data of glass-forming van der Waals liquids and polymer. (3) Molecular dynamics simulations of binary Lennard-Jones (LJ) models, the Lewis-Wahnström model of ortho-terphenyl, 1,4 polybutadiene, a room temperature ionic liquid, 1-ethyl-3-methylimidazolium nitrate, and a molten salt 2Ca(NO(3))(2)·3KNO(3) (CKN). (4) Both diffusivity and structural relaxation time, as well as the breakdown of Stokes-Einstein relation in CKN obey thermodynamic scaling by ρ(γ)/T with the same γ. (5) In polymers, the chain normal mode relaxation time, τ(N), is another function of ρ(γ)/T with the same γ as segmental relaxation time τ(α). (6) While the data of τ(α) from simulations for the full LJ binary mixture obey very well the thermodynamic scaling, it is strongly violated when the LJ interaction potential is truncated beyond typical inter-particle distance, although in both cases the repulsive pair potentials coincide for some distances.
International Nuclear Information System (INIS)
Olumayegun, Olumide; Wang, Meihong; Kelsall, Greg
2017-01-01
Highlights: • Nitrogen closed Brayton cycle for small modular sodium-cooled fast reactor studied. • Thermodynamic modelling and analysis of closed Brayton cycle performed. • Two-shaft configuration proposed and performance compared to single shaft. • Preliminary design of heat exchangers and turbomachinery carried out. - Abstract: Sodium-cooled fast reactor (SFR) is considered the most promising of the Generation IV reactors for their near-term demonstration of power generation. Small modular SFRs (SM-SFRs) have less investment risk, can be deployed more quickly, are easier to operate and are more flexible in comparison to large nuclear reactor. Currently, SFRs use the proven Rankine steam cycle as the power conversion system. However, a key challenge is to prevent dangerous sodium-water reaction that could happen in SFR coupled to steam cycle. Nitrogen gas is inert and does not react with sodium. Hence, intercooled closed Brayton cycle (CBC) using nitrogen as working fluid and with a single shaft configuration has been one common power conversion system option for possible near-term demonstration of SFR. In this work, a new two shaft nitrogen CBC with parallel turbines was proposed to further simplify the design of the turbomachinery and reduce turbomachinery size without compromising the cycle efficiency. Furthermore, thermodynamic performance analysis and preliminary design of components were carried out in comparison with a reference single shaft nitrogen cycle. Mathematical models in Matlab were developed for steady state thermodynamic analysis of the cycles and for preliminary design of the heat exchangers, turbines and compressors. Studies were performed to investigate the impact of the recuperator minimum terminal temperature difference (TTD) on the overall cycle efficiency and recuperator size. The effect of turbomachinery efficiencies on the overall cycle efficiency was examined. The results showed that the cycle efficiency of the proposed
Brinson, Thomas E.; Kopasakis, George
2004-01-01
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.
International Nuclear Information System (INIS)
Fadaee, M.; Yu, S.D.
2013-01-01
In this paper, a finite element based dynamic model is presented for bending, axial, and torsional vibrations of an outer CANDU fuel element subjected to multiple unilateral frictional contact (MUFC) constraints. The Bozzak-Newmark relaxation-integration scheme is used to discretize the equations of motion in the time domain. At a time step, equations of state of the fuel element with MUFC constraints reduce to a linear complementarity problem (LCP). Results are compared with those available in the literature. Good agreement is achieved. The 2D sliding and stiction motion of a fuel element at points of contact is obtained for harmonic excitations. (author)
Directory of Open Access Journals (Sweden)
Pavol Baňacký
Full Text Available It has been shown that the adiabatic electronic structure of the superconducting phase of sulfur hydride at 200 GPa is unstable toward the vibration motion of H-atoms. A theoretical study indicates that in coupling to H-vibrations, the system undergoes a transition from adiabatic into a stabilized anti-adiabatic multi-gap superconducting state at a temperature that can reach 203 K. Keywords: Superconductivity of sulfur hydride, Electron–phonon coupling in superconductors, Anti-adiabatic theory of superconductivity
Entropy for Mechanically Vibrating Systems
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
Directory of Open Access Journals (Sweden)
Suqi Liu
2017-11-01
Full Text Available Wireless power transfer (WPT via coupled magnetic resonances has become a focus recently, but the mechanisms responsible for such work are uncertain. We found that WPT system is a self-organization system by utilizing self-organization theory to judge. Firstly, the circuit model was established and transfer characteristic of a system was researched by utilizing circuit theories. Thus, with the introduction of entropy variable S, the energy equation of state can be established from the energy of the transmitter side and the energy of the receiver side. According to the energy equation of state, this paper obtains two equations when the reactance of the transmitter side and the receiver side equate to zero respectively. The vibration phenomenon of the receiver-coil in a three-coil WPT system was predicted and explained. Our findings illuminate the unusual self-organization in the WPT system and explain the vibration phenomenon of the receiver-coil in a three-coil WPT system.
Liu, Suqi; Tan, Jianping; Wen, Xue
2017-11-01
Wireless power transfer (WPT) via coupled magnetic resonances has become a focus recently, but the mechanisms responsible for such work are uncertain. We found that WPT system is a self-organization system by utilizing self-organization theory to judge. Firstly, the circuit model was established and transfer characteristic of a system was researched by utilizing circuit theories. Thus, with the introduction of entropy variable S, the energy equation of state can be established from the energy of the transmitter side and the energy of the receiver side. According to the energy equation of state, this paper obtains two equations when the reactance of the transmitter side and the receiver side equate to zero respectively. The vibration phenomenon of the receiver-coil in a three-coil WPT system was predicted and explained. Our findings illuminate the unusual self-organization in the WPT system and explain the vibration phenomenon of the receiver-coil in a three-coil WPT system.
Foucher, Mickaël; Marinov, Daniil; Carbone, Emile; Chabert, Pascal; Booth, Jean-Paul
2015-08-01
Inductively-coupled plasmas in pure O2 (at pressures of 5-80 mTorr and radiofrequency power up to 500 W) were studied by optical absorption spectroscopy over the spectral range 200-450 nm, showing the presence of highly vibrationally excited O2 molecules (up to vʺ = 18) by Schumann-Runge band absorption. Analysis of the relative band intensities indicates a vibrational temperature up to 10,000 K, but these hot molecules only represent a fraction of the total O2 density. By analysing the (11-0) band at higher spectral resolution the O2 rotational temperature was also determined, and was found to increase with both pressure and power, reaching 900 K at 80 mTorr 500 W. These measurements were achieved using a new high-sensitivity ultra-broad-band absorption spectroscopy setup, based on a laser-plasma light source, achromatic optics and an aberration-corrected spectrograph. This setup allows the measurement of weak broadband absorbances due to a baseline variability lower than 2 × 10-5 across a spectral range of 250 nm.
Directory of Open Access Journals (Sweden)
Chunyu Zhao
2009-01-01
Full Text Available In this paper an analytical approach is proposed to study the feature of frequency capture of two non-identical coupled exciters in a non-resonant vibrating system. The electromagnetic torque of an induction motor in the quasi-steady-state operation is derived. With the introduction of two perturbation small parameters to average angular velocity of two exciters and their phase difference, we deduce the Equation of Frequency Capture by averaging two motion equations of two exciters over their average period. It converts the synchronization problem of two exciters into that of existence and stability of zero solution for the Equation of Frequency Capture. The conditions of implementing frequency capture and that of stabilizing synchronous operation of two motors have been derived. The concept of torque of frequency capture is proposed to physically explain the peculiarity of self-synchronization of the two exciters. An interesting conclusion is reached that the moments of inertia of the two exciters in the Equation of Frequency Capture reduce and there is a coupling moment of inertia between the two exciters. The reduction of moments of inertia and the coupling moment of inertia have an effect on the stability of synchronous operation.
Incorporation of coupled nonequilibrium chemistry into a two-dimensional nozzle code (SEAGULL)
Ratliff, A. W.
1979-01-01
A two-dimensional multiple shock nozzle code (SEAGULL) was extended to include the effects of finite rate chemistry. The basic code that treats multiple shocks and contact surfaces was fully coupled with a generalized finite rate chemistry and vibrational energy exchange package. The modified code retains all of the original SEAGULL features plus the capability to treat chemical and vibrational nonequilibrium reactions. Any chemical and/or vibrational energy exchange mechanism can be handled as long as thermodynamic data and rate constants are available for all participating species.
International Nuclear Information System (INIS)
Garcia-Moliner, F.
1975-01-01
Basic thermodynamics of a system consisting of two bulk phases with an interface. Solid surfaces: general. Discussion of experimental data on surface tension and related concepts. Adsorption thermodynamics in the Gibbsian scheme. Adsorption on inert solid adsorbents. Systems with electrical charges: chemistry and thermodynamics of imperfect crystals. Thermodynamics of charged surfaces. Simple models of charge transfer chemisorption. Adsorption heat and related concepts. Surface phase transitions
Kavner, A.
2017-12-01
In a multicomponent multiphase geochemical system undergoing a chemical reaction such as precipitation and/or dissolution, the partitioning of species between phases is determined by a combination of thermodynamic properties and transport processes. The interpretation of the observed distribution of trace elements requires models integrating coupled chemistry and mechanical transport. Here, a framework is presented that predicts the kinetic effects on the distribution of species between two reacting phases. Based on a perturbation theory combining Navier-Stokes fluid flow and chemical reactivity, the framework predicts rate-dependent partition coefficients in a variety of different systems. We present the theoretical framework, with applications to two systems: 1. species- and isotope-dependent Soret diffusion of species in a multicomponent silicate melt subjected to a temperature gradient, and 2. Elemental partitioning and isotope fractionation during precipitation of a multicomponent solid from a multicomponent liquid phase. Predictions will be compared with results from experimental studies. The approach has applications for understanding chemical exchange in at boundary layers such as the Earth's surface magmatic systems and at the core/mantle boundary.
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)
2007-11-15
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).
Thermodynamics of freezing and melting
DEFF Research Database (Denmark)
Pedersen, Ulf Rørbæk; Costigliola, Lorenzo; Bailey, Nicholas
2016-01-01
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...
Quantum thermodynamics: a nonequilibrium Green's function approach.
Esposito, Massimiliano; Ochoa, Maicol A; Galperin, Michael
2015-02-27
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.
Nonequilibrium thermodynamics of nucleation
Schweizer, M.; Sagis, L.M.C.
2014-01-01
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
Müller, Ingo
1993-01-01
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...
Bozkaya, Uǧur; Sherrill, C. David
2013-08-01
Orbital-optimized coupled-electron pair theory [or simply "optimized CEPA(0)," OCEPA(0), for short] and its analytic energy gradients are presented. For variational optimization of the molecular orbitals for the OCEPA(0) method, a Lagrangian-based approach is used along with an orbital direct inversion of the iterative subspace algorithm. The cost of the method is comparable to that of CCSD [O(N6) scaling] for energy computations. However, for analytic gradient computations the OCEPA(0) method is only half as expensive as CCSD since there is no need to solve the λ2-amplitude equation for OCEPA(0). The performance of the OCEPA(0) method is compared with that of the canonical MP2, CEPA(0), CCSD, and CCSD(T) methods, for equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions between radicals. For bond lengths of both closed and open-shell molecules, the OCEPA(0) method improves upon CEPA(0) and CCSD by 25%-43% and 38%-53%, respectively, with Dunning's cc-pCVQZ basis set. Especially for the open-shell test set, the performance of OCEPA(0) is comparable with that of CCSD(T) (ΔR is 0.0003 Å on average). For harmonic vibrational frequencies of closed-shell molecules, the OCEPA(0) method again outperforms CEPA(0) and CCSD by 33%-79% and 53%-79%, respectively. For harmonic vibrational frequencies of open-shell molecules, the mean absolute error (MAE) of the OCEPA(0) method (39 cm-1) is fortuitously even better than that of CCSD(T) (50 cm-1), while the MAEs of CEPA(0) (184 cm-1) and CCSD (84 cm-1) are considerably higher. For complete basis set estimates of hydrogen transfer reaction energies, the OCEPA(0) method again exhibits a substantially better performance than CEPA(0), providing a mean absolute error of 0.7 kcal mol-1, which is more than 6 times lower than that of CEPA(0) (4.6 kcal mol-1), and comparing to MP2 (7.7 kcal mol-1) there is a more than 10-fold reduction in errors. Whereas the MAE for the CCSD method is only 0.1 kcal
Stošić, Dušan; Auroux, Aline
Basic principles of calorimetry coupled with other techniques are introduced. These methods are used in heterogeneous catalysis for characterization of acidic, basic and red-ox properties of solid catalysts. Estimation of these features is achieved by monitoring the interaction of various probe molecules with the surface of such materials. Overview of gas phase, as well as liquid phase techniques is given. Special attention is devoted to coupled calorimetry-volumetry method. Furthermore, the influence of different experimental parameters on the results of these techniques is discussed, since it is known that they can significantly influence the evaluation of catalytic properties of investigated materials.
International Nuclear Information System (INIS)
Coudrain-Ribstein, A.
1985-01-01
This study is a contribution of analyses possibilities of modelling the transfer of components in the underground taking into account complexes geochemical phenomena. In the first part, the aim and the methodology of existing codes are presented. The transfer codes describe with a great precision the physical phenomena of transport but they are based on a very simple conceptualisation of the geochemical phenomena of retention by the rock. The geochemical models are interested by a stable unity of volume. They allow to compute the equilibrium distribution of the components between the chemical species of the solution, and the solid and gaseous phases. They use important thermodynamic data bases corresponding to each possible reaction. To sum up the situation about the geochemical codes in Europe and United States, a list of about thirty codes describe their method and potentialities. The mathematical analysis of the different methods used in both types of codes is presented. Then, the principles of a modelisation associating the potentialities of the transport codes and the geochemical codes are discussed. It is not possible to think of a simple coupling. A general code must be established on the bases of the existing codes but also on new concepts and under new constraints. In such studies one must always deal with the problem of the reactions kinetics. When the velocity of the reactions is big enough versus the velocity of transport processes, the assumption of local geochemical equilibrium can be retained. A general code would be very cumbersome, expensive and difficult to use. The results would be difficult to analyse and exploit. On the other hand, for each case study, a detailed analysis can point out many computing simplifications without simplifying the concepts [fr
Postma, H; Heyde, K; Walker, P; Grant, I; Veskovic, M; Stone, N; Stone, J
2002-01-01
% 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 ...
Hurtado Parra, Sebastian; Straus, Daniel; Iotov, Natasha; Fichera, Bryan; Gebhardt, Julian; Rappe, Andrew; Subotnik, Joseph; Kikkawa, James; Kagan, Cherie
Quantum and dielectric confinement effects in Ruddlesden-Popper 2D hybrid perovskites create excitons with a binding energy exceeding 150 meV. We exploit the large exciton binding energy to study exciton and carrier dynamics as well as electron-phonon coupling (EPC) in hybrid perovskites using absorption and photoluminescence (PL) spectroscopies. At temperatures 75 K, excitonic absorption and PL exhibit homogeneous broadening. While absorption remains homogeneous, PL becomes inhomogeneous at temperatures <75K, which we speculate is caused by the formation and subsequent dynamics of a polaronic exciton. This work is supported by the U.S. Department of Energy, Office of Basic Energy Sciences Grant DE-SC0002158 and the National Science Foundation Graduate Research Fellowship Grant DGE-1321851.
Olander, Donald
2007-01-01
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
Lanzani, Guglielmo; De Silvestri, Sandro
2007-01-01
Vibrational spectroscopy is a powerful investigation tool for a wide class of materials covering diverse areas in physics, chemistry and biology. The continuous development in the laser field regarding ultrashort pulse generation has led to the possibility of producing light pulses that can follow vibrational motion coupled to the electronic transitions in molecules and solids in real time. Aimed at researchers and graduate students using vibrational spectroscopy, this book provides both introductory chapters as well as more advanced contents reporting on recent progress. It also provides a good starting point for scientists seeking a sound introduction to ultrafast optics and spectroscopic techniques.
Flux-split algorithms for flows with non-equilibrium chemistry and vibrational relaxation
Grossman, B.; Cinnella, P.
1990-01-01
The present consideration of numerical computation methods for gas flows with nonequilibrium chemistry thermodynamics gives attention to an equilibrium model, a general nonequilibrium model, and a simplified model based on vibrational relaxation. Flux-splitting procedures are developed for the fully-coupled inviscid equations encompassing fluid dynamics and both chemical and internal energy-relaxation processes. A fully coupled and implicit large-block structure is presented which embodies novel forms of flux-vector split and flux-difference split algorithms valid for nonequilibrium flow; illustrative high-temperature shock tube and nozzle flow examples are given.
Directory of Open Access Journals (Sweden)
Yongle Li
2015-01-01
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.
Statistical thermodynamics of alloys
Gokcen, N A
1986-01-01
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 ...
Iribarne, J V
1973-01-01
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...
Wei, Bo-Bo; Jiang, Zhan-Feng; Liu, Ren-Bao
2015-01-01
The holographic principle states that the information about a volume of a system is encoded on the boundary surface of the volume. Holography appears in many branches of physics, such as optics, electromagnetism, many-body physics, quantum gravity, and string theory. Here we show that holography is also an underlying principle in thermodynamics, a most important foundation of physics. The thermodynamics of a system is fully determined by its partition function. We prove that the partition function of a finite but arbitrarily large system is an analytic function on the complex plane of physical parameters, and therefore the partition function in a region on the complex plane is uniquely determined by its values along the boundary. The thermodynamic holography has applications in studying thermodynamics of nano-scale systems (such as molecule engines, nano-generators and macromolecules) and provides a new approach to many-body physics. PMID:26478214
Thermodynamic Calculations for Systems Biocatalysis
DEFF Research Database (Denmark)
Abu, Rohana; Gundersen, Maria T.; Woodley, John M.
2015-01-01
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...... on the basis of kinetics. However, many of the most interesting non-natural chemical reactions which could potentially be catalysed by enzymes, are thermodynamically unfavourable and are thus limited by the equilibrium position of the reaction. A good example is the enzyme ω-transaminase, which catalyses...... be altered by coupling with other reactions. For instance, in the case of ω-transaminase, such a coupling could be with alanine dehydrogenase. Herein, the aim of this work is to identify thermodynamic bottlenecks within a multi-enzyme process, using group contribution method to calculate the Gibbs free...
International Nuclear Information System (INIS)
Naitoh, Masanori; Uchida, Shunsuke; Koshizuka, Seiichi; Ninokata, Hisashi; Anahara, Naoki; Dosaki, Koji; Katono, Kenichi; Akiyama, Minoru; Saitoh, Hiroaki
2007-01-01
Problems in major components and structural materials in nuclear power plants have often been caused by flow induced vibration, corrosion and their overlapping effects. In order to establish safe and reliable plant operation, it is necessary to predict future problems for structural materials based on combined analyses of flow dynamics and corrosion and to mitigate them before they become serious issues for plant operation. An innovative method for flow induced vibration of structures in two phase flow by combined analyses of three dimensional flow dynamics and structures is to be introduced. (author)
Eichhorn, Ralf; Aurell, Erik
2014-04-01
'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
Ben-Naim, Arieh
2017-01-01
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...
Schrödinger, Erwin
1952-01-01
Nobel Laureate's brilliant attempt to develop a simple, unified standard method of dealing with all cases of statistical thermodynamics - classical, quantum, Bose-Einstein, Fermi-Dirac, and more.The work also includes discussions of Nernst theorem, Planck's oscillator, fluctuations, the n-particle problem, problem of radiation, much more.
International Nuclear Information System (INIS)
Chen, S.S.
1975-06-01
Several mathematical models have been proposed for calculating fuel rod responses in axial flows based on a single rod consideration. The spacing between fuel rods in liquid metal fast breeder reactors is small; hence fuel rods will interact with one another due to fluid coupling. The objective of this paper is to study the coupled vibration of fuel bundles. To account for the fluid coupling, a computer code, AMASS, is developed to calculate added mass coefficients for a group of circular cylinders based on the potential flow theory. The equations of motion for rod bundles are then derived including hydrodynamic forces, drag forces, fluid pressure, gravity effect, axial tension, and damping. Based on the equations, a method of analysis is presented to study the free and forced vibrations of rod bundles. Finally, the method is applied to a typical LMFBR fuel bundle consisting of seven rods
Application of Statistical Thermodynamics in Refrigeration
International Nuclear Information System (INIS)
Avsec, J.; Marcic, M.
1999-01-01
The paper presents the mathematical model for computing the thermodynamical properties in the liquid, gas and two-phase domain by means of statistical thermodynamics. The paper features all important components (translation, rotation, internal rotation, vibration, intermolecular potential energy and influence of electron and nuclei excitation). To calculate the thermodynamic properties of real gases, we have developed the cluster theory, which yields better results than the virial equation. In case of real liquids, the Johnson-Zollweg-Gubbins model based on the modified Benedict-Webb-Rubin (BWR) equation was applied. The Lennard-Jones intermolecular potential was used. The analytical results are compared with the thermodynamical data and models obtained from classical thermodynamics, and they show relatively good agreement. (author)
Kaliski, S
2013-01-01
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
Ben-Naim, Arieh
1987-01-01
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...
DEFF Research Database (Denmark)
Sørensen, Herman
1997-01-01
Methods for calculating natural frequencies for ship hulls and for plates and panels.Evaluation of the risk for inconvenient vibrations on board......Methods for calculating natural frequencies for ship hulls and for plates and panels.Evaluation of the risk for inconvenient vibrations on board...
The Thermodynamic Machinery of Life
Kurzynski, Michal
2006-01-01
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.
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.
2005-01-01
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
Thermodynamics of asymptotically safe theories
DEFF Research Database (Denmark)
Rischke, Dirk H.; Sannino, Francesco
2015-01-01
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...
International Nuclear Information System (INIS)
Hayasaka, Hideo
1983-01-01
The thermodynamics and the energy distribution function of the neutron gas in a constant power reactor are considered, taking into account the burn-up of fuel. To separate the secular motion of neutrons owing to fuel burn-up and the microscopic fluctuations of neutrons around this motion, a long time of the order of several months is divided into m equal intervals, and the respective states corresponding to m small time intervals are treated as quasi-stationary states. The local energy distribution function of the neutron gas in the quasi-stationary state is given by a generalized Boltzmann distribution specified by the respective generalized activity coefficient for each subsystem. The effects of fuel burn-up on the respective distribution functions for successive small time intervals are taken into account through various quantities relating to reactor physics, depending upon the fuel burn-up, by successive approximation. (author)
International Nuclear Information System (INIS)
Gomez Palacio, German Rau
1998-01-01
Ecology is no more a descriptive and self-sufficient science. Many viewpoints are needed simultaneously to give a full coverage of such complex systems: ecosystems. These viewpoints come from physics, chemistry, and nuclear physics, without a new far from equilibrium thermodynamics and without new mathematical tools such as catastrophe theory, fractal theory, cybernetics and network theory, the development of ecosystem science would never have reached the point of today. Some ideas are presented about the importance that concept such as energy, entropy, exergy information and none equilibrium have in the analysis of processes taking place in ecosystems
Novel active vibration absorber with magnetorheological fluid
Energy Technology Data Exchange (ETDEWEB)
Gerlach, T; Ehrlich, J; Boese, H [Fraunhofer-Institut fuer Silicatforschung ISC, Neunerplatz 2, D-97082 Wuerzburg (Germany)], E-mail: thomas.gerlach@isc.fraunhofer.de
2009-02-01
Disturbing vibrations diminish the performance of technical high precision devices significantly. In search of a suitable solution for reducing these vibrations, a novel concept of active vibration reduction was developed which exploits the special properties of magnetorheological fluids. In order to evaluate the concept of such an active vibration absorber (AVA) a demonstrator was designed and manufactured. This demonstrator generates a force which counteracts the motion of the vibrating body. Since the counterforce is generated by a centrifugal exciter, the AVA provides the capability to compensate vibrations even in two dimensions. To control the strength of the force transmitted to the vibrating body, the exciter is based on a tunable MR coupling. The AVA was integrated in an appropriate testing device to investigate its performance. The recorded results show a significant reduction of the vibration amplitudes by an order of magnitude.
Energy Technology Data Exchange (ETDEWEB)
Falkenstein, Jens Werner [Rostock Univ. (Germany). Inst. fuer Antriebstechnik und Mechatronik
2004-07-01
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.)
Czech Academy of Sciences Publication Activity Database
Dračínský, Martin; Kaminský, Jakub; Bouř, Petr
2009-01-01
Roč. 130, č. 9 (2009), 094106/1-094106/13 ISSN 0021-9606 R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702 Institutional research plan: CEZ:AV0Z40550506 Keywords : NMR * anharmonic forces * vibrational averaging Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.093, year: 2009
DEFF Research Database (Denmark)
Morrison, Ann; Knudsen, L.; Andersen, Hans Jørgen
2012-01-01
In this paper we describe a field study conducted with a wearable vibration belt where we test to determine the vibration intensity sensitivity ranges on a large diverse group of participants with evenly distributed ages and...
Structure and thermodynamics of molten salts
International Nuclear Information System (INIS)
Papatheodorou, G.N.
1983-01-01
This chapter investigates single-component molten salts and multicomponent salt mixtures. Molten salts provide an important testing ground for theories of liquids, solutions, and plasmas. Topics considered include molten salts as liquids (the pair potential, the radial distribution function, methods of characterization), single salts (structure, thermodynamic correlations), and salt mixtures (the thermodynamics of mixing; spectroscopy and structure). Neutron and X-ray scattering techniques are used to determine the structure of molten metal halide salts. The corresponding-states theory is used to obtain thermodynamic correlations on single salts. Structural information on salt mixtures is obtained by using vibrational (Raman) and electronic absorption spectroscopy. Charge-symmetrical systems and charge-unsymmetrical systems are used to examine the thermodynamics of salt mixtures
Vibrational and Thermal Properties of Oxyanionic Crystals
Korabel'nikov, D. V.
2018-03-01
The vibrational and thermal properties of dolomite and alkali chlorates and perchlorates were studied in the gradient approximation of density functional theory using the method of a linear combination of atomic orbitals (LCAO). Long-wave vibration frequencies, IR and Raman spectra, and mode Gruneisen parameters were calculated. Equation-of-state parameters, thermodynamic potentials, entropy, heat capacity, and thermal expansion coefficient were also determined. The thermal expansion coefficient of dolomite was established to be much lower than for chlorates and perchlorates. The temperature dependence of the heat capacity at T > 200 K was shown to be generally governed by intramolecular vibrations.
de Oliveira, Mário J
2017-01-01
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...
Pappas, Iraklis; Chirik, Paul J
2016-10-03
The hydrogenolysis of titanium-nitrogen bonds in a series of bis(cyclopentadienyl) titanium amides, hydrazides and imides by proton coupled electron transfer (PCET) is described. Twelve different N-H bond dissociation free energies (BDFEs) among the various nitrogen-containing ligands were measured or calculated, and effects of metal oxidation state and N-ligand substituent were determined. Two metal hydride complexes, (η 5 -C 5 Me 5 )(py-Ph)Rh-H (py-Ph = 2-pyridylphenyl, [Rh]-H) and (η 5 -C 5 R 5 )(CO) 3 Cr-H ([Cr] R -H, R= H, Me) were evaluated for formal H atom transfer reactivity and were selected due to their relatively weak M-H bond strengths yet ability to activate and cleave molecular hydrogen. Despite comparable M-H BDFEs, disparate reactivity between the two compounds was observed and was traced to the vastly different acidities of the M-H bonds and overall redox potentials of the molecules. With [Rh]-H, catalytic syntheses of ammonia, silylamine and N,N-dimethylhydrazine have been accomplished from the corresponding titanium(IV) complex using H 2 as the stoichiometric H atom source. The data presented in this study provides the thermochemical foundation for the synthesis of NH 3 by proton coupled electron transfer at a well-defined transition metal center.
PREFACE: Vibrations at surfaces Vibrations at surfaces
Rahman, Talat S.
2011-12-01
This special issue is dedicated to the phenomenon of vibrations at surfaces—a topic that was indispensible a couple of decades ago, since it was one of the few phenomena capable of revealing the nature of binding at solid surfaces. For clean surfaces, the frequencies of modes with characteristic displacement patterns revealed how surface geometry, as well as the nature of binding between atoms in the surface layers, could be different from that in the bulk solid. Dispersion of the surface phonons provided further measures of interatomic interactions. For chemisorbed molecules on surfaces, frequencies and dispersion of the vibrational modes were also critical for determining adsorption sites. In other words, vibrations at surfaces served as a reliable means of extracting information about surface structure, chemisorption and overlayer formation. Experimental techniques, such as electron energy loss spectroscopy and helium-atom-surface scattering, coupled with infra-red spectroscopy, were continually refined and their resolutions enhanced to capture subtleties in the dynamics of atoms and molecules at surfaces. Theoretical methods, whether based on empirical and semi-empirical interatomic potential or on ab initio electronic structure calculations, helped decipher experimental observations and provide deeper insights into the nature of the bond between atoms and molecules in regions of reduced symmetry, as encountered on solid surfaces. Vibrations at surfaces were thus an integral part of the set of phenomena that characterized surface science. Dedicated workshops and conferences were held to explore the variety of interesting and puzzling features revealed in experimental and theoretical investigations of surface vibrational modes and their dispersion. One such conference, Vibrations at Surfaces, first organized by Harald Ibach in Juelich in 1980, continues to this day. The 13th International Conference on Vibrations at Surfaces was held at the University of
Directory of Open Access Journals (Sweden)
Hao Jin
2015-01-01
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.
Thermodynamics of Radiation Modes
Pina, Eduardo; de la Selva, Sara Maria Teresa
2010-01-01
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…
2009-01-01
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.
Umesh P. Agarwal; Rajai Atalla
2010-01-01
Vibrational spectroscopy is an important tool in modern chemistry. In the past two decades, thanks to significant improvements in instrumentation and the development of new interpretive tools, it has become increasingly important for studies of lignin. This chapter presents the three important instrumental methods-Raman spectroscopy, infrared (IR) spectroscopy, and...
Mathematical foundations of thermodynamics
Giles, R; Stark, M; Ulam, S
2013-01-01
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
eQuilibrator--the biochemical thermodynamics calculator.
Flamholz, Avi; Noor, Elad; Bar-Even, Arren; Milo, Ron
2012-01-01
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 (http://equilibrator.weizmann.ac.il) 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.
eQuilibrator—the biochemical thermodynamics calculator
Flamholz, Avi; Noor, Elad; Bar-Even, Arren; Milo, Ron
2012-01-01
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 (http://equilibrator.weizmann.ac.il) 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
Metal viscoplasticity with two-temperature thermodynamics and two dislocation densities
Roy Chowdhury, Shubhankar; Kar, Gurudas; Roy, Debasish; Reddy, J. N.
2018-03-01
Posed within the two-temperature theory of non-equilibrium thermodynamics, we propose a model for thermoviscoplastic deformation in metals. We incorporate the dynamics of dislocation densities-mobile and forest—that play the role of internal state variables in the formulation. The description based on two temperatures appears naturally when one recognizes that the thermodynamic system undergoing viscoplastic deformation is composed of two weakly interacting subsystems, viz. a kinetic-vibrational subsystem of the vibrating atomic lattices and a configurational subsystem of the slower degrees of freedom relating to defect motion, each with its own temperature. Starting with a basic model that involves only homogeneous deformation, a three-dimensional model for inhomogeneous viscoplasticity applicable to finite deformation is charted out in an overstress driven viscoplastic deformation framework. The model shows how the coupled evolutions of mobile and forest dislocation densities, which are critically influenced by the dynamics of configurational temperature, govern the strength and ductility of the metal. Unlike most contemporary models, the current proposal also affords a prediction of certain finer details as observed in the experimental data on stress-strain behaviour of metals and this in turn enhances the understanding of the evolving and interacting dislocation densities.
Thermodynamic tables to accompany Modern engineering thermodynamics
Balmer, Robert T
2011-01-01
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.
Classical and statistical thermodynamics
Rizk, Hanna A
2016-01-01
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.
Katano, Satoshi; Toma, Koji; Toma, Mana; Tamada, Kaoru; Uehara, Yoichi
2010-11-28
Scanning tunneling microscope light emission (STM-LE) spectroscopy has been utilized to elucidate the luminescence phenomena of Ag nanoparticles capped with myristate (myristate-capped AgNP) and 2-methyl-1-propanethiolate (C(4)S-capped AgNP) on the dodecanethiol-precovered Au substrate. The STM imaging revealed that myristate-capped AgNPs form an ordered hexagonal array whereas C(4)S-capped AgNPs show imperfect ordering, indicating that a shorter alkyl chain of C(4)S-capped AgNP is not sufficient to form rigid interdigitation. It should be noted that such a nanoparticle ordering affects the luminescence properties of the Ag nanoparticle. We found that the STM-LE is only detected from the Ag nanoparticles forming the two-dimensional superlattice. This indicates that the STM-LE of the Ag nanoparticle is radiated via the collective excitation of the local surface plasmon resonance (LSPR) spread over the Ag nanoparticles. Note that the STM-LE spectra of the Ag nanoparticles exhibit spike-like peaks superimposed on the broad light emission peak. Using Raman spectroscopy, we concluded that the spike-like structure appearing in the STM-LE spectra is associated with the vibrational excitation of the molecule embedded between Ag nanoparticles.
Bouhaj, M.; von Estorff, O.; Peiffer, A.
2017-09-01
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.
Zhong, Yuhan; Wang, Peida; Mei, Huayue; Jia, Zhenyuan; Cheng, Nanpu
2018-06-01
CuInTe2 chalcopyrite compound is widely used in the fields of optoelectronics and pyroelectricity, and doping atoms can further improve the physical properties of the CuInTe2 compound. For all we know, this is the first time that the elastic behaviors and lattice dynamical properties of Ag-doped CuInTe2 compounds with the tetragonal system are determined theoretically. The elastic, lattice dynamical and thermal properties of Cu1‑x Ag x InTe2 (x = 0, 0.25, 0.5, 0.75 and 1) compounds have been investigated by using density functional theory. The obtained elastic constants of Cu1‑x Ag x InTe2 compounds indicate that these compounds are mechanically stable and elastic anisotropic. The anisotropy of the {001} plane is more obvious than those of the {100} and {010} planes. Additionally, with increasing Ag doping concentrations, the bulk and shear moduli of Cu1‑x Ag x InTe2 compounds decrease and their toughness improves. The phonon spectra and density of states reveal that Cu (or Ag) atoms in Cu1‑x Ag x InTe2 compounds form chemical bonds with Te atoms, and Cu-Te bonds are gradually replaced by Ag-Te bonds with increasing Ag doping concentration. Vibration modes of Cu1‑x Ag x InTe2 compounds at the {{Γ }} point in the Brillouin zone show that each Cu1‑x Ag x InTe2 (x = 0 and 1) crystal includes five irreducible representations (A1, A2, B1, B2 and E). As for Cu1‑x Ag x InTe2 (x = 0.25, 0.5 and 0.75) compounds, each crystal has three irreducible representations (A, B and E). The atomic displacements of several typical phonon modes in CuInTe2 crystals have been analyzed to deepen the understanding of lattice vibrations in Cu1‑x AgxInTe2 compounds. With increasing Ag doping concentration, the Debye temperatures of Cu1‑x Ag x InTe2 compounds decrease, while their heat capacities increase.
The thermodynamic-buffer enzymes.
Stucki, J W
1980-08-01
Oxidative phosphorylation operates at optimal efficiency if and only if the condition of conductance matching L33/L11 = square root 1-q2 is fulfilled. In this relation L11 is the phenomenological conductance of phosphorylation, L33 the phenomenological conductance of the load, i.e. the irreversible ATP-utilizing processes in the cell, and q the degree of coupling of oxidative phosphorylation driven by respiration. Since during short time intervals L11 and q are constant whereas L33 fluctuates in the cell, oxidative phosphorylation would only rarely operate at optimal efficiency due to violation of conductance matching. This paper demonstrates that the reversible ATP-utilizing reaction catalyzed by adenylate kinase can effectively compensate deviations from conductance matching in the presence of a fluctuating L33 and hence allows oxidative phosphorylation to operate at optimal efficiency in the cell. Since the adenylate kinase reaction was found to buffer a thermodynamic potential, i.e. the phosphate potential, this finding was generalized to the concept of thermodynamic buffering. The thermodynamic buffering ability of the adenylate kinase reaction was demonstrated by experiments with incubated rat-liver mitochondria. Considerations of changes introduced in the entropy production by the adenylate kinase reaction allowed to establish the theoretical framework for thermodynamic buffering. The ability of thermodynamic buffering to compensate deviations from conductance matching in the presence of fluctuating loads was demonstrated by computer simulations. The possibility of other reversible ATP-utilizing reactions, like the ones catalyzed by creatine kinase and arginine kinase, to contribute to thermodynamic buffering is discussed. Finally, the comparison of the theoretically calculated steady-stae cytosolic adenine nucleotide concentrations with experimental data from perfused livers demonstrated that in livers from fed rats conductance matching is fulfilled on a
Simulating metabolism with statistical thermodynamics.
Cannon, William R
2014-01-01
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.
Thermodynamics in Einstein's thought
International Nuclear Information System (INIS)
Klein, M.J.
1983-01-01
The role of the thermodynamical approach in the Einstein's scientific work is analyzed. The Einstein's development of a notion about statistical fluctuations of thermodynamical systems that leads him to discovery of corpuscular-wave dualism is retraced
Reinsch, Thomas; Thurley, Tom; Jousset, Philippe
2017-12-01
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.
Saxena, A K
2014-01-01
Heat and thermodynamics aims to serve as a textbook for Physics, Chemistry and Engineering students. The book covers basic ideas of Heat and Thermodynamics, Kinetic Theory and Transport Phenomena, Real Gases, Liquafaction and Production and Measurement of very Low Temperatures, The First Law of Thermodynamics, The Second and Third Laws of Thermodynamics and Heat Engines and Black Body Radiation. KEY FEATURES Emphasis on concepts Contains 145 illustrations (drawings), 9 Tables and 48 solved examples At the end of chapter exercises and objective questions
A constitutive model for magnetostriction based on thermodynamic framework
International Nuclear Information System (INIS)
Ho, Kwangsoo
2016-01-01
This work presents a general framework for the continuum-based formulation of dissipative materials with magneto–mechanical coupling in the viewpoint of irreversible thermodynamics. The thermodynamically consistent model developed for the magnetic hysteresis is extended to include the magnetostrictive effect. The dissipative and hysteretic response of magnetostrictive materials is captured through the introduction of internal state variables. The evolution rate of magnetostrictive strain as well as magnetization is derived from thermodynamic and dissipative potentials in accordance with the general principles of thermodynamics. It is then demonstrated that the constitutive model is competent to describe the magneto-mechanical behavior by comparing simulation results with the experimental data reported in the literature. - Highlights: • A thermodynamically consistent model is proposed to describe the magneto-mechanical coupling effect. • Internal state variables are introduced to capture the dissipative material response. • The evolution rate of the magnetostrictive strain is derived through thermodynamic and dissipation potentials.
Advanced classical thermodynamics
International Nuclear Information System (INIS)
Emanuel, G.
1987-01-01
The theoretical and mathematical foundations of thermodynamics are presented in an advanced text intended for graduate engineering students. Chapters are devoted to definitions and postulates, the fundamental equation, equilibrium, the application of Jacobian theory to thermodynamics, the Maxwell equations, stability, the theory of real gases, critical-point theory, and chemical thermodynamics. Diagrams, graphs, tables, and sample problems are provided. 38 references
Ideal gas thermodynamic properties for the phenyl, phenoxy, and o-biphenyl radicals
Burcat, A.; Zeleznik, F. J.; Mcbride, B. J.
1985-01-01
Ideal gas thermodynamic properties of the phenyl and o-biphenyl radicals, their deuterated analogs and the phenoxy radical were calculated to 5000 K using estimated vibrational frequencies and structures. The ideal gas thermodynamic properties of benzene, biphenyl, their deuterated analogs and phenyl were also calculated.
Introduction to applied thermodynamics
Helsdon, R M; Walker, G E
1965-01-01
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
Twenty lectures on thermodynamics
Buchdahl, H A
2013-01-01
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
Rational extended thermodynamics
Müller, Ingo
1998-01-01
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...
On the mechanical vibrator-earth contact geometry and its dynamics
Noorlandt, R.P.; Drijkoningen, G.G.
2016-01-01
The geometry of the contact between a vibrator and the earth underneath influences the dynamics of the vibrator. Although a vibrator might appear to be well-coupled with the earth on a macroscale, perfect coupling certainly does not occur on the microscale. With the aid of contact mechanical
National Aeronautics and Space Administration — Ground vibration tests or modal surveys are routinely conducted to support flutter analysis for subsonic and supersonic vehicles. However, vibration testing...
Theory of vibration protection
Karnovsky, Igor A
2016-01-01
This text is an advancement of the theory of vibration protection of mechanical systems with lumped and distributed parameters. The book offers various concepts and methods of solving vibration protection problems, discusses the advantages and disadvantages of different methods, and the fields of their effective applications. Fundamental approaches of vibration protection, which are considered in this book, are the passive, parametric and optimal active vibration protection. The passive vibration protection is based on vibration isolation, vibration damping and dynamic absorbers. Parametric vibration protection theory is based on the Shchipanov-Luzin invariance principle. Optimal active vibration protection theory is based on the Pontryagin principle and the Krein moment method. The book also contains special topics such as suppression of vibrations at the source of their occurrence and the harmful influence of vibrations on humans. Numerous examples, which illustrate the theoretical ideas of each chapter, ar...
Structural Design Optimization On Thermally Induced Vibration
International Nuclear Information System (INIS)
Gu, Yuanxian; Chen, Biaosong; Zhang, Hongwu; Zhao, Guozhong
2002-01-01
The numerical method of design optimization for structural thermally induced vibration is originally studied in this paper and implemented in application software JIFEX. The direct and adjoint methods of sensitivity analysis for thermal induced vibration coupled with both linear and nonlinear transient heat conduction is firstly proposed. Based on the finite element method, the structural linear dynamics is treated simultaneously with coupled linear and nonlinear transient heat structural linear dynamics is treated simultaneously with coupled linear and nonlinear transient heat conduction. In the thermal analysis model, the nonlinear heat conduction considered is result from the radiation and temperature-dependent materials. The sensitivity analysis of transient linear and nonlinear heat conduction is performed with the precise time integration method. And then, the sensitivity analysis of structural transient dynamics is performed by the Newmark method. Both the direct method and the adjoint method are employed to derive the sensitivity equations of thermal vibration, and there are two adjoint vectors of structure and heat conduction respectively. The coupling effect of heat conduction on thermal vibration in the sensitivity analysis is particularly investigated. With coupling sensitivity analysis, the optimization model is constructed and solved by the sequential linear programming or sequential quadratic programming algorithm. The methods proposed have been implemented in the application software JIFEX of structural design optimization, and numerical examples are given to illustrate the methods and usage of structural design optimization on thermally induced vibration
An introduction to equilibrium thermodynamics
Morrill, Bernard; Hartnett, James P; Hughes, William F
1973-01-01
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
Thermodynamics for scientists and engineers
International Nuclear Information System (INIS)
Lim, Gyeong Hui
2011-02-01
This book deals with thermodynamics for scientists and engineers. It consists of 11 chapters, which are concept and background of thermodynamics, the first law of thermodynamics, the second law of thermodynamics and entropy, mathematics related thermodynamics, properties of thermodynamics on pure material, equilibrium, stability of thermodynamics, the basic of compound, phase equilibrium of compound, excess gibbs energy model of compound and activity coefficient model and chemical equilibrium. It has four appendixes on properties of pure materials and thermal mass.
Anatomy of an Exciton : Vibrational Distortion and Exciton Coherence in H- and J-Aggregates
Tempelaar, Roel; Stradomska, Anna; Knoester, Jasper; Spano, Frank C.
2013-01-01
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
Thermodynamics of Bioreactions.
Held, Christoph; Sadowski, Gabriele
2016-06-07
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.
Methods of performing downhole operations using orbital vibrator energy sources
Cole, Jack H.; Weinberg, David M.; Wilson, Dennis R.
2004-02-17
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.
A tightly coupled non-equilibrium model for inductively coupled radio-frequency plasmas
International Nuclear Information System (INIS)
Munafò, A.; Alfuhaid, S. A.; Panesi, M.; Cambier, J.-L.
2015-01-01
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
Thermodynamically efficient solar concentrators
Winston, Roland
2012-10-01
Non-imaging Optics is the theory of thermodynamically efficient optics and as such depends more on thermodynamics than on optics. Hence in this paper a condition for the "best" design is proposed based on purely thermodynamic arguments, which we believe has profound consequences for design of thermal and even photovoltaic systems. This new way of looking at the problem of efficient concentration depends on probabilities, the ingredients of entropy and information theory while "optics" in the conventional sense recedes into the background.
Black Holes and Thermodynamics
Wald, Robert M.
1997-01-01
We review the remarkable relationship between the laws of black hole mechanics and the ordinary laws of thermodynamics. It is emphasized that - in analogy with the laws of thermodynamics - the validity the laws of black hole mechanics does not appear to depend upon the details of the underlying dynamical theory (i.e., upon the particular field equations of general relativity). It also is emphasized that a number of unresolved issues arise in ``ordinary thermodynamics'' in the context of gener...
Reiss, Howard
1997-01-01
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
Thermodynamics of nuclear materials
International Nuclear Information System (INIS)
Rand, M.H.
1975-01-01
A report is presented of the Fourth International Symposium on Thermodynamics of Nuclear Materials held in Vienna, 21-25 October 1974. The technological theme of the Symposium was the application of thermodynamics to the understanding of the chemistry of irradiated nuclear fuels and to safety assessments for hypothetical accident conditions in reactors. The first four sessions were devoted to these topics and they were followed by four more sessions on the more basic thermodynamics, phase diagrams and the thermodynamic properties of a wide range of nuclear materials. Sixty-seven papers were presented
International Nuclear Information System (INIS)
Kwak, Mun Gyu; Na, Sung Su; Baek, Gwang Hyeon; Song, Chul Gi; Han, Sang Bo
2001-09-01
This book deals with vibration of machine which gives descriptions of free vibration using SDOF system, forced vibration using SDOF system, vibration of multi-degree of freedom system like introduction and normal form, distribution system such as introduction, free vibration of bar and practice problem, approximate solution like lumped approximations and Raleigh's quotient, engineering by intuition and experience, real problem and experimental method such as technology of signal, fourier transform analysis, frequency analysis and sensor and actuator.
Enhanced vibration diagnostics using vibration signature analysis
International Nuclear Information System (INIS)
Ahmed, S.; Shehzad, K.; Zahoor, Y.; Mahmood, A.; Bibi, A.
2001-01-01
Symptoms will appear in equipment, as well as in human beings. when 'suffering from sickness. Symptoms of abnormality in equipment are vibration, noise, deformation, temperature, pressure, electric current, crack, wearing, leakage etc. these are called modes of failure. If the mode of failure is vibration then the vibration signature analysis can be effectively used in order to diagnose the machinery problems. Much valuable information is contained within these vibration 'Spectra' or 'Signatures' but is only of use if the analyst can unlock its 'Secrets'. This paper documents a vibration problem in the motor of a centrifugal pump (Type ETA). It focuses mainly on the roll of modern vibration monitoring system in problem analysis. The problem experienced was the motor unstability and noise due to high vibration. Using enhanced vibration signature data, the problem was analyzed. which suggested that the rotor eccentricity was the cause of excessive noise and vibration in the motor. In conclusion, advanced electronic monitoring and diagnostic systems provide powerful information for machine's condition assessment and problem analysis. Appropriate interpretation and use of this information is important for accurate and effective vibration analysis. (author)
Thermodynamic properties of sea air
Directory of Open Access Journals (Sweden)
R. Feistel
2010-02-01
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.
Benefits of Spacecraft Level Vibration Testing
Gordon, Scott; Kern, Dennis L.
2015-01-01
NASA-HDBK-7008 Spacecraft Level Dynamic Environments Testing discusses the approaches, benefits, dangers, and recommended practices for spacecraft level dynamic environments testing, including vibration testing. This paper discusses in additional detail the benefits and actual experiences of vibration testing spacecraft for NASA Goddard Space Flight Center (GSFC) and Jet Propulsion Laboratory (JPL) flight projects. JPL and GSFC have both similarities and differences in their spacecraft level vibration test approach: JPL uses a random vibration input and a frequency range usually starting at 5 Hz and extending to as high as 250 Hz. GSFC uses a sine sweep vibration input and a frequency range usually starting at 5 Hz and extending only to the limits of the coupled loads analysis (typically 50 to 60 Hz). However, both JPL and GSFC use force limiting to realistically notch spacecraft resonances and response (acceleration) limiting as necessary to protect spacecraft structure and hardware from exceeding design strength capabilities. Despite GSFC and JPL differences in spacecraft level vibration test approaches, both have uncovered a significant number of spacecraft design and workmanship anomalies in vibration tests. This paper will give an overview of JPL and GSFC spacecraft vibration testing approaches and provide a detailed description of spacecraft anomalies revealed.
Thermodynamic and Quantum Thermodynamic Analyses of Brownian Movement
Gyftopoulos, Elias P.
2006-01-01
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.
Thermodynamics of nuclear materials
International Nuclear Information System (INIS)
1979-01-01
Full text: The science of chemical thermodynamics has substantially contributed to the understanding of the many problems encountered in nuclear and reactor technology. These problems include reaction of materials with their surroundings and chemical and physical changes of fuels. Modern reactor technology, by its very nature, has offered new fields of investigations for the scientists and engineers concerned with the design of nuclear fuel elements. Moreover, thermodynamics has been vital in predicting the behaviour of new materials for fission as well as fusion reactors. In this regard, the Symposium was organized to provide a mechanism for review and discussion of recent thermodynamic investigations of nuclear materials. The Symposium was held in the Juelich Nuclear Research Centre, at the invitation of the Government of the Federal Republic of Germany. The International Atomic Energy Agency has given much attention to the thermodynamics of nuclear materials, as is evidenced by its sponsorship of four international symposia in 1962, 1965, 1967, and 1974. The first three meetings were primarily concerned with the fundamental thermodynamics of nuclear materials; as with the 1974 meeting, this last Symposium was primarily aimed at the thermodynamic behaviour of nuclear materials in actual practice, i.e., applied thermodynamics. Many advances have been made since the 1974 meeting, both in fundamental and applied thermodynamics of nuclear materials, and this meeting provided opportunities for an exchange of new information on this topic. The Symposium dealt in part with the thermodynamic analysis of nuclear materials under conditions of high temperatures and a severe radiation environment. Several sessions were devoted to the thermodynamic studies of nuclear fuels and fission and fusion reactor materials under adverse conditions. These papers and ensuing discussions provided a better understanding of the chemical behaviour of fuels and materials under these
Nonequilibrium Thermodynamics of Driven Disordered Materials
Bouchbinder, Eran
2011-03-01
We present a nonequilibrium thermodynamic framework for describing the dynamics of driven disordered solids (noncrystalline solids near and below their glass temperature, soft glassy materials such as colloidal suspensions and heavily dislocated polycrystalline solids). A central idea in our approach is that the set of mechanically stable configurations, i.e. the part of the system that is described by inherent structures, evolves slowly as compared to thermal vibrations and is characterized by an effective disorder temperature. Our thermodynamics-motivated equations of motion for the flow of energy and entropy are supplemented by coarse-grained internal variables that carry information about the relevant microscopic physics. Applications of this framework to amorphous visco-plasticity (Shear-Transformation-Zone theory), glassy memory effects (the Kovacs effect) and dislocation-mediated polycrystalline plasticity will be briefly discussed.
Quantum thermodynamics of nanoscale steady states far from equilibrium
Taniguchi, Nobuhiko
2018-04-01
We develop an exact quantum thermodynamic description for a noninteracting nanoscale steady state that couples strongly with multiple reservoirs. We demonstrate that there exists a steady-state extension of the thermodynamic function that correctly accounts for the multiterminal Landauer-Büttiker formula of quantum transport of charge, energy, or heat via the nonequilibrium thermodynamic relations. Its explicit form is obtained for a single bosonic or fermionic level in the wide-band limit, and corresponding thermodynamic forces (affinities) are identified. Nonlinear generalization of the Onsager reciprocity relations are derived. We suggest that the steady-state thermodynamic function is also capable of characterizing the heat current fluctuations of the critical transport where the thermal fluctuations dominate. Also, the suggested nonequilibrium steady-state thermodynamic relations seemingly persist for a spin-degenerate single level with local interaction.
Theoretical investigation of the thermodynamic properties of metallic thin films
International Nuclear Information System (INIS)
Hung, Vu Van; Phuong, Duong Dai; Hoa, Nguyen Thi; Hieu, Ho Khac
2015-01-01
The thermodynamic properties of metallic thin films with face-centered cubic structure at ambient conditions were investigated using the statistical moment method including the anharmonicity effects of thermal lattice vibrations. The analytical expressions of Helmholtz free energy, lattice parameter, linear thermal expansion coefficient, specific heats at the constant volume and constant pressure were derived in terms of the power moments of the atomic displacements. Numerical calculations of thermodynamic properties have been performed for Au and Al thin films and compared with those of bulk metals. This research proposes that thermodynamic quantities of thin films approach the values of bulk when the thickness of thin film is about 70 nm. - Highlights: • Thermodynamic properties of thin films were investigated using the moment method. • Expressions of Helmholtz energy, expansion coefficient, specific heats were derived. • Calculations for Au, Al thin films were performed and compared with those of bulks
Theoretical investigation of the thermodynamic properties of metallic thin films
Energy Technology Data Exchange (ETDEWEB)
Hung, Vu Van [Vietnam Education Publishing House, 81 Tran Hung Dao, Hanoi (Viet Nam); Phuong, Duong Dai [Hanoi National University of Education, 136 Xuan Thuy, Hanoi (Viet Nam); Hoa, Nguyen Thi [University of Transport and Communications, Lang Thuong, Dong Da, Hanoi (Viet Nam); Hieu, Ho Khac, E-mail: hieuhk@duytan.edu.vn [Institute of Research and Development, Duy Tan University, K7/25 Quang Trung, Danang (Viet Nam)
2015-05-29
The thermodynamic properties of metallic thin films with face-centered cubic structure at ambient conditions were investigated using the statistical moment method including the anharmonicity effects of thermal lattice vibrations. The analytical expressions of Helmholtz free energy, lattice parameter, linear thermal expansion coefficient, specific heats at the constant volume and constant pressure were derived in terms of the power moments of the atomic displacements. Numerical calculations of thermodynamic properties have been performed for Au and Al thin films and compared with those of bulk metals. This research proposes that thermodynamic quantities of thin films approach the values of bulk when the thickness of thin film is about 70 nm. - Highlights: • Thermodynamic properties of thin films were investigated using the moment method. • Expressions of Helmholtz energy, expansion coefficient, specific heats were derived. • Calculations for Au, Al thin films were performed and compared with those of bulks.
Granet, Irving
2014-01-01
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...
The thermodynamic solar energy
International Nuclear Information System (INIS)
Rivoire, B.
2002-04-01
The thermodynamic solar energy is the technic in the whole aiming to transform the solar radiation energy in high temperature heat and then in mechanical energy by a thermodynamic cycle. These technic are most often at an experimental scale. This paper describes and analyzes the research programs developed in the advanced countries, since 1980. (A.L.B.)
Quasiparticles and thermodynamical consistency
International Nuclear Information System (INIS)
Shanenko, A.A.; Biro, T.S.; Toneev, V.D.
2003-01-01
A brief and simple introduction into the problem of the thermodynamical consistency is given. The thermodynamical consistency relations, which should be taken into account under constructing a quasiparticle model, are found in a general manner from the finite-temperature extension of the Hellmann-Feynman theorem. Restrictions following from these relations are illustrated by simple physical examples. (author)
Local thermodynamics of a magnetized, anisotropic plasma
International Nuclear Information System (INIS)
Hazeltine, R. D.; Mahajan, S. M.; Morrison, P. J.
2013-01-01
An expression for the internal energy of a fluid element in a weakly coupled, magnetized, anisotropic plasma is derived from first principles. The result is a function of entropy, particle density and magnetic field, and as such plays the role of a thermodynamic potential: it determines in principle all thermodynamic properties of the fluid element. In particular it provides equations of state for the magnetized plasma. The derivation uses familiar fluid equations, a few elements of kinetic theory, the MHD version of Faraday's law, and certain familiar stability and regularity conditions.
Equilibrium thermodynamics - Callen's postulational approach
Jongschaap, R.J.J.; Öttinger, Hans Christian
2001-01-01
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
Applied chemical engineering thermodynamics
Tassios, Dimitrios P
1993-01-01
Applied Chemical Engineering Thermodynamics provides the undergraduate and graduate student of chemical engineering with the basic knowledge, the methodology and the references he needs to apply it in industrial practice. Thus, in addition to the classical topics of the laws of thermodynamics,pure component and mixture thermodynamic properties as well as phase and chemical equilibria the reader will find: - history of thermodynamics - energy conservation - internmolecular forces and molecular thermodynamics - cubic equations of state - statistical mechanics. A great number of calculated problems with solutions and an appendix with numerous tables of numbers of practical importance are extremely helpful for applied calculations. The computer programs on the included disk help the student to become familiar with the typical methods used in industry for volumetric and vapor-liquid equilibria calculations.
Thermodynamics an engineering approach
Cengel, Yunus A
2014-01-01
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...
[Occupational standing vibration rate and vibrational diseases].
Karnaukh, N G; Vyshchipan, V F; Haumenko, B S
2003-12-01
Occupational standing vibration rate is proposed in evaluating a degree of impairment of an organism activity. It will allow more widely to introduce specification of quality and quantity in assessment of the development of vibrational disease. According out-patient and inpatient obtained data we have established criterial values of functional changes in accordance with accumulated occupational standing vibration rate. The nomogram was worked out for defining a risk of the development of vibrational disease in mine workers. This nomogram more objectively can help in diagnostics of the disease.
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 ...
Two-dimensional vibrational-electronic spectroscopy
Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.; Khalil, Munira
2015-10-01
Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (νCN) and either a ligand-to-metal charge transfer transition ([FeIII(CN)6]3- dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN)5FeIICNRuIII(NH3)5]- dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific νCN modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a wide range of complex molecular, material, and biological systems.
Two-dimensional vibrational-electronic spectroscopy
Energy Technology Data Exchange (ETDEWEB)
Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.; Khalil, Munira, E-mail: mkhalil@uw.edu [Department of Chemistry, University of Washington, Box 351700, Seattle, Washington 98195 (United States)
2015-10-21
Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (ν{sub CN}) and either a ligand-to-metal charge transfer transition ([Fe{sup III}(CN){sub 6}]{sup 3−} dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN){sub 5}Fe{sup II}CNRu{sup III}(NH{sub 3}){sub 5}]{sup −} dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific ν{sub CN} modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a
Thermodynamic estimation: Ionic materials
International Nuclear Information System (INIS)
Glasser, Leslie
2013-01-01
Thermodynamics establishes equilibrium relations among thermodynamic parameters (“properties”) and delineates the effects of variation of the thermodynamic functions (typically temperature and pressure) on those parameters. However, classical thermodynamics does not provide values for the necessary thermodynamic properties, which must be established by extra-thermodynamic means such as experiment, theoretical calculation, or empirical estimation. While many values may be found in the numerous collected tables in the literature, these are necessarily incomplete because either the experimental measurements have not been made or the materials may be hypothetical. The current paper presents a number of simple and relible estimation methods for thermodynamic properties, principally for ionic materials. The results may also be used as a check for obvious errors in published values. The estimation methods described are typically based on addition of properties of individual ions, or sums of properties of neutral ion groups (such as “double” salts, in the Simple Salt Approximation), or based upon correlations such as with formula unit volumes (Volume-Based Thermodynamics). - Graphical abstract: Thermodynamic properties of ionic materials may be readily estimated by summation of the properties of individual ions, by summation of the properties of ‘double salts’, and by correlation with formula volume. Such estimates may fill gaps in the literature, and may also be used as checks of published values. This simplicity arises from exploitation of the fact that repulsive energy terms are of short range and very similar across materials, while coulombic interactions provide a very large component of the attractive energy in ionic systems. Display Omitted - Highlights: • Estimation methods for thermodynamic properties of ionic materials are introduced. • Methods are based on summation of single ions, multiple salts, and correlations. • Heat capacity, entropy
A Vibration Control Method for the Flexible Arm Based on Energy Migration
Directory of Open Access Journals (Sweden)
Yushu Bian
2015-01-01
Full Text Available A vibration control method based on energy migration is proposed to decrease vibration response of the flexible arm undergoing rigid motion. A type of vibration absorber is suggested and gives rise to the inertial coupling between the modes of the flexible arm and the absorber. By analyzing 1 : 2 internal resonance, it is proved that the internal resonance can be successfully created and the exchange of vibration energy is existent. Due to the inertial coupling, the damping enhancement effect is revealed. Via the inertial coupling, vibration energy of the flexible arm can be dissipated by not only the damping of the vibration absorber but also its own enhanced damping, thereby effectively decreasing vibration. Through numerical simulations and analyses, it is proven that this method is feasible in controlling nonlinear vibration of the flexible arm undergoing rigid motion.
International Nuclear Information System (INIS)
Mansson, B.A.
1990-01-01
Economics, as the social science most concerned with the use and distribution of natural resources, must start to make use of the knowledge at hand in the natural sciences about such resources. In this, thermodynamics is an essential part. In a physicists terminology, human economic activity may be described as a dissipative system which flourishes by transforming and exchanging resources, goods and services. All this involves complex networks of flows of energy and materials. This implies that thermodynamics, the physical theory of energy and materials flows, must have implications for economics. On another level, thermodynamics has been recognized as a physical theory of value, with value concepts similar to those of economic theory. This paper discusses some general aspects of the significance of non-equilibrium thermodynamics for economics. The role of exergy, probably the most important of the physical measures of value, is elucidated. Two examples of integration of thermodynamics with economic theory are reviewed. First, a simple model of a steady-state production system is sued to illustrate the effects of thermodynamic process constraints. Second, the framework of a simple macroeconomic growth model is used to illustrate how some thermodynamic limitations may be integrated in macroeconomic theory
Black hole thermodynamics under the microscope
Falls, Kevin; Litim, Daniel F.
2014-04-01
A coarse-grained version of the effective action is used to study the thermodynamics of black holes, interpolating from largest to smallest masses. The physical parameters of the black hole are linked to the running couplings by thermodynamics, and the corresponding equation of state includes quantum corrections for temperature, specific heat, and entropy. If quantum gravity becomes asymptotically safe, the state function predicts conformal scaling in the limit of small horizon area and bounds on black hole mass and temperature. A metric-based derivation for the equation of state and quantum corrections to the thermodynamical, statistical, and phenomenological definition of entropy are also given. Further implications and limitations of our study are discussed.
Thermodynamic properties of pressurized PH3 superconductor
Koka, S.; Rao, G. Venugopal
2018-05-01
The paper presents the superconducting thermodynamic functions determined for pressurized phosphorus trihydride (PH3). In particular, free energy difference ΔF, thermodynamic critical field Hc, specific heat etc. have been calculated using analytical expressions. The calculations were performed in the frame work of the strong-coupling formalism. The obtained dimensionless parameters: RΔ ≡ 2Δ(0)/kBTc, RC ≡ ΔC(Tc)/CN(Tc) and RH≡TcCN(Tc)/Hc2(0) are 4.05, 1.96 and 0.156 respectively, which significantly differ from the values arising from the BCS theory of superconductivity. The thermodynamic properties strongly depend on the depairing electron correlations and retardation effects.
A statistical model for instable thermodynamical systems
International Nuclear Information System (INIS)
Sommer, Jens-Uwe
2003-01-01
A generic model is presented for statistical systems which display thermodynamic features in contrast to our everyday experience, such as infinite and negative heat capacities. Such system are instable in terms of classical equilibrium thermodynamics. Using our statistical model, we are able to investigate states of instable systems which are undefined in the framework of equilibrium thermodynamics. We show that a region of negative heat capacity in the adiabatic environment, leads to a first order like phase transition when the system is coupled to a heat reservoir. This phase transition takes place without a phase coexistence. Nevertheless, all intermediate states are stable due to fluctuations. When two instable system are brought in thermal contact, the temperature of the composed system is lower than the minimum temperature of the individual systems. Generally, the equilibrium states of instable system cannot be simply decomposed into equilibrium states of the individual systems. The properties of instable system depend on the environment, ensemble equivalence is broken
A Tightly Coupled Non-Equilibrium Magneto-Hydrodynamic Model for Inductively Coupled RF Plasmas
2016-02-29
development a tightly coupled magneto-hydrodynamic model for Inductively Coupled Radio- Frequency (RF) Plasmas. Non Local Thermodynamic Equilibrium (NLTE...for Inductively Coupled Radio-Frequency (RF) Plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State...Inductively Coupled Plasma (ICP) torches have wide range of possible applications which include deposition of metal coatings, synthesis of ultra-fine powders
Beecher, L. C.; Williams, F. T.
1970-01-01
Gas-driven vibration exciter produces a sinusoidal excitation function controllable in frequency and in amplitude. It allows direct vibration testing of components under normal loads, removing the possibility of component damage due to high static pressure.
Advanced thermodynamics engineering
Annamalai, Kalyan; Jog, Milind A
2011-01-01
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
REA, The Editors of
2012-01-01
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
Non-equilibrium thermodynamics
De Groot, Sybren Ruurds
1984-01-01
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
Thermodynamics of quantum strings
Morgan, M J
1994-01-01
A statistical mechanical analysis of an ideal gas of non-relativistic quantum strings is presented, in which the thermodynamic properties of the string gas are calculated from a canonical partition function. This toy model enables students to gain insight into the thermodynamics of a simple 'quantum field' theory, and provides a useful pedagogical introduction to the more complicated relativistic string theories. A review is also given of the thermodynamics of the open bosonic string gas and the type I (open) superstring gas. (author)
Modern engineering thermodynamics
Balmer, Robert T
2010-01-01
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
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 ...
Carbon Nanotube Tape Vibrating Gyroscope
Tucker, Dennis Stephen (Inventor)
2016-01-01
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.
Adaptive vibration isolation system for diesel engine
Institute of Scientific and Technical Information of China (English)
YANG Tie-jun; ZHANG Xin-yu; XIAO You-hong; HUANG Jin-e; LIU Zhi-gang
2004-01-01
An active two-stage isolation mounting, on which servo-hydraulic system is used as the actuator (secondary vibration source) and a diesel engine is used as primary vibration source, has been built. The upper mass of the mounting is composed of a 495diesel and an electrical eddy current dynamometer. The lower mass is divided into four small masses to which servo-hydraulic actuator and rubber isolators are attached. According to the periodical characteristics of diesel vibration signals, a multi-point adaptive strategy based on adaptive comb filtered algorithm is applied to active multi-direction coupled vibrations control for the engine. The experimental results demonstrate that a good suppression in the effective range of phase compensation in secondary path (within 100Hz) at different operation conditions is achieved, and verify that this strategy is effective. The features of the active system, the development activities carried out on the system and experimental results are discussed in the paper.
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-.
Heavy atom vibrational modes and low-energy vibrational autodetachment in nitromethane anions
International Nuclear Information System (INIS)
Thompson, Michael C.; Weber, J. Mathias; Baraban, Joshua H.; Matthews, Devin A.; Stanton, John F.
2015-01-01
We report infrared spectra of nitromethane anion, CH 3 NO 2 − , in the region 700–2150 cm −1 , obtained by Ar predissociation spectroscopy and electron detachment spectroscopy. The data are interpreted in the framework of second-order vibrational perturbation theory based on coupled-cluster electronic structure calculations. The modes in the spectroscopic region studied here are mainly based on vibrations involving the heavier atoms; this work complements earlier studies on nitromethane anion that focused on the CH stretching region of the spectrum. Electron detachment begins at photon energies far below the adiabatic electron affinity due to thermal population of excited vibrational states
Theoretical physics 5 thermodynamics
Nolting, Wolfgang
2017-01-01
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...
Elements of chemical thermodynamics
Nash, Leonard K
2005-01-01
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.
Elements of statistical thermodynamics
Nash, Leonard K
2006-01-01
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.
Electrochemical thermodynamic measurement system
Reynier, Yvan [Meylan, FR; Yazami, Rachid [Los Angeles, CA; Fultz, Brent T [Pasadena, CA
2009-09-29
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.
Workshop on Teaching Thermodynamics
1985-01-01
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 ...
International Nuclear Information System (INIS)
Bekenstein, J.D.
1980-01-01
Including black holes in the scheme of thermodynamics has disclosed a deep-seated connection between gravitation, heat and the quantum that may lead us to a synthesis of the corresponding branches of physics
Polyelectrolytes thermodynamics and rheology
P M, Visakh; Picó, Guillermo Alfredo
2014-01-01
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.
Vibration of liquid-filled thin shells
International Nuclear Information System (INIS)
Kalnins, A.
1979-01-01
This paper describes the analysis of free and forced vibration of a thin, axisymmetric shell, which contains some liquid. The axis of symmetry is vertical. Only such vibration is considered which can be produced by a horizontal movement of the base of shell. The objective of this paper is to examine the response of the coupled shell-liquid system for a frequency range lying between zero and the lowest natural sloshing frequency of the liquid. The mass of the liquid is modeled by a stationary and one or more sloshing masses. It is shown how the stationary mass can be incorporated in the vibration analysis of the shell and how to natural frequency of the coupled shell-liquid system can be obtained from a simple formula, if the lowest natural frequency of the shell, plus the stationary mass of the liquid, can be determined. A numerical example is given. (orig.)
Thermodynamic Optimality criteria for biological systems in linear irreversible thermodynamics
International Nuclear Information System (INIS)
Chimal, J C; Sánchez, N; Ramírez, PR
2017-01-01
In this paper the methodology of the so-called Linear Irreversible Thermodynamics (LIT) is applied; although traditionally used locally to study general systems in non-equilibrium states in which it is consider both internal and external contributions to the entropy increments in order to analyze the efficiency of two coupled processes with generalized fluxes J 1 , J 2 and their corresponding forces X 1 , X 2 . We extend the former analysis to takes into account two different operating regimes namely: Omega Function and Efficient Power criterion, respectively. Results show analogies in the optimal performance between and we can say that there exist a criteria of optimization which can be used specially for biological systems where a good design of the biological parameters made by nature at maximum efficient power conditions lead to more efficient engines than those at the maximum power conditions or ecological conditions. (paper)
A New Perspective on Thermodynamics
Lavenda, Bernard H
2010-01-01
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...
Intermodal resonance of vibrating suspended cables
Rienstra, S.W.
2010-01-01
The weakly nonlinear free vibrations of a single suspended cable, or a coupled system of suspended cables, may be classified as gravity modes (no tension variations to leading order) and elasto-gravity modes (tension and vertical displacement equally important). It was found earlier [12] that the
Vibration of hydraulic machinery
Wu, Yulin; Liu, Shuhong; Dou, Hua-Shu; Qian, Zhongdong
2013-01-01
Vibration of Hydraulic Machinery deals with the vibration problem which has significant influence on the safety and reliable operation of hydraulic machinery. It provides new achievements and the latest developments in these areas, even in the basic areas of this subject. The present book covers the fundamentals of mechanical vibration and rotordynamics as well as their main numerical models and analysis methods for the vibration prediction. The mechanical and hydraulic excitations to the vibration are analyzed, and the pressure fluctuations induced by the unsteady turbulent flow is predicted in order to obtain the unsteady loads. This book also discusses the loads, constraint conditions and the elastic and damping characters of the mechanical system, the structure dynamic analysis, the rotor dynamic analysis and the system instability of hydraulic machines, including the illustration of monitoring system for the instability and the vibration in hydraulic units. All the problems are necessary for vibration pr...
Hewitt, Sue; Dong, Ren G; Welcome, Daniel E; McDowell, Thomas W
2015-03-01
For exposure to hand-transmitted vibration (HTV), personal protective equipment is sold in the form of anti-vibration (AV) gloves, but it remains unclear how much these gloves actually reduce vibration exposure or prevent the development of hand-arm vibration syndrome in the workplace. This commentary describes some of the issues that surround the classification of AV gloves, the assessment of their effectiveness and their applicability in the workplace. The available information shows that AV gloves are unreliable as devices for controlling HTV exposures. Other means of vibration control, such as using alternative production techniques, low-vibration machinery, routine preventative maintenance regimes, and controlling exposure durations are far more likely to deliver effective vibration reductions and should be implemented. Furthermore, AV gloves may introduce some adverse effects such as increasing grip force and reducing manual dexterity. Therefore, one should balance the benefits of AV gloves and their potential adverse effects if their use is considered. © Crown copyright 2014.
Gravity as a thermodynamic phenomenon
Moustos, Dimitris
2017-01-01
The analogy between the laws of black hole mechanics and the laws of thermodynamics led Bekenstein and Hawking to argue that black holes should be considered as real thermodynamic systems that are characterised by entropy and temperature. Black hole thermodynamics indicates a deeper connection between thermodynamics and gravity. We review and examine in detail the arguments that suggest an interpretation of gravity itself as a thermodynamic theory.
Linear and nonlinear piezoelectric shunting strategies for vibration mitigation
Directory of Open Access Journals (Sweden)
Soltani P.
2014-01-01
Full Text Available This paper studies linear and nonlinear piezoelectric vibration absorbers that are designed based on the equal-peak method. A comparison between the performance of linear mechanical and electrical tuned vibration absorbers coupled to a linear oscillator is first performed. Nonlinearity is then introduced in the primary oscillator to which a new nonlinear electrical tuned vibration absorber is attached. Despite the frequency-energy dependence of nonlinear oscillations, we show that the nonlinear absorber is capable of effectively mitigating the vibrations of the nonlinear primary system in a large range of forcing amplitudes.
Thermodynamics of hairy black holes in Lovelock gravity
Energy Technology Data Exchange (ETDEWEB)
Hennigar, Robie A. [Department of Physics and Astronomy, University of Waterloo, Waterloo, Ontario, Canada, N2L 3G1 (Canada); Tjoa, Erickson [Division of Physics and Applied Physics, School of Physical and Mathematical Sciences,Nanyang Technological University, Singapore, 637371 (Singapore); Department of Physics and Astronomy, University of Waterloo, Waterloo, Ontario, Canada, N2L 3G1 (Canada); Mann, Robert B. [Department of Physics and Astronomy, University of Waterloo, Waterloo, Ontario, Canada, N2L 3G1 (Canada)
2017-02-14
We perform a thorough study of the thermodynamic properties of a class of Lovelock black holes with conformal scalar hair arising from coupling of a real scalar field to the dimensionally extended Euler densities. We study the linearized equations of motion of the theory and describe constraints under which the theory is free from ghosts/tachyons. We then consider, within the context of black hole chemistry, the thermodynamics of the hairy black holes in the Gauss-Bonnet and cubic Lovelock theories. We clarify the connection between isolated critical points and thermodynamic singularities, finding a one parameter family of these critical points which occur for well-defined thermodynamic parameters. We also report on a number of novel results, including ‘virtual triple points’ and the first example of a ‘λ-line’ — a line of second order phase transitions — in black hole thermodynamics.
Thermodynamics of hairy black holes in Lovelock gravity
Hennigar, Robie A.; Tjoa, Erickson; Mann, Robert B.
2017-02-01
We perform a thorough study of the thermodynamic properties of a class of Lovelock black holes with conformal scalar hair arising from coupling of a real scalar field to the dimensionally extended Euler densities. We study the linearized equations of motion of the theory and describe constraints under which the theory is free from ghosts/tachyons. We then consider, within the context of black hole chemistry, the thermodynamics of the hairy black holes in the Gauss-Bonnet and cubic Lovelock theories. We clarify the connection between isolated critical points and thermodynamic singularities, finding a one parameter family of these critical points which occur for well-defined thermodynamic parameters. We also report on a number of novel results, including `virtual triple points' and the first example of a `λ-line' — a line of second order phase transitions — in black hole thermodynamics.
convergent methods for calculating thermodynamic Green functions
Bowen, S. P.; Williams, C. D.; Mancini, J. D.
1984-01-01
A convergent method of approximating thermodynamic Green functions is outlined briefly. The method constructs a sequence of approximants which converges independently of the strength of the Hamiltonian's coupling constants. Two new concepts associated with the approximants are introduced: the resolving power of the approximation, and conditional creation (annihilation) operators. These ideas are illustrated on an exactly soluble model and a numerical example. A convergent expression for the s...
Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Puzzarini, Cristina
2013-03-12
A state-of-the-art computational strategy for the evaluation of accurate molecular structures as well as thermodynamic and spectroscopic properties along with the direct simulation of infrared (IR) and Raman spectra is established, validated (on the basis of the experimental data available for the Ip glycine conformer) and then used to provide a reliable and accurate characterization of the elusive IVn/gtt and IIIp/tct glycine conformers. The integrated theoretical model proposed is based on accurate post-Hartree-Fock computations (involving composite schemes) of energies, structures, properties, and harmonic force fields coupled to DFT corrections for the proper inclusion of vibrational effects at an anharmonic level (as provided by general second-order perturbative approach). It is shown that the approach presented here allows the evaluation of structural, thermodynamic, and spectroscopic properties with an overall accuracy of about, or better than, 0.001 Å, 20 MHz, 1 kJ·mol(-1), and 10 cm(-1) for bond distances, rotational constants, conformational enthalpies, and vibrational frequencies, respectively. The high accuracy of the computational results allows one to support and complement experimental studies, thus providing (i) an unequivocal identification of several conformers concomitantly present in the experimental mixture and (ii) data not available or difficult to experimentally derive.
Non-Equilibrium Thermodynamics of Self-Replicating Protocells
DEFF Research Database (Denmark)
Fellermann, Harold; Corominas-Murtra, Bernat; Hansen, Per Lyngs
2018-01-01
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....
Thermodynamic condition for ''Gamma'' flotation
International Nuclear Information System (INIS)
Kaoma, J.; Yarar, B.
1989-01-01
Using the definition of the critical surface tension of wetting solids (Γc) and Gibb's adsorption isotherm, coupled with Young-Dupre's equation, the equilibrium thermodynamic condition for 'GAMMA' flotation has been derived. It is defined by the relation, Cos Oe=Γc/Γlg. At equilibrium for 'Gamma' flotation to occur, the liquid/gas interfacial tension (9γlg) should be larger than the critical surface tension of wetting of the solid surface, meaning that the equilibrium contact angle (Oe) should be greater than Zero, or cos Oe < 1, a Pre- requisite for the solid/gas bubble attachment. This definition holds for solid surfaces in the absence of any specific adsorption at the solid/liquid and solid/gas inter faces. Contact angle and flotation data are presented to sustain this definition. (author)., 15 refs., 9 figs
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)
1999-07-25
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)
Elastic and inelastic vibrational cross sections for positron scattering by carbon monoxide
Energy Technology Data Exchange (ETDEWEB)
Tenfen, W. [Departamento de Física, Universidade Federal da Fronteira Sul, 85770-000, Realeza, Paraná (Brazil); Arretche, F., E-mail: fartch@gmail.com [Departamento de Física, Universidade Federal de Santa Catarina, 88040-900, Florianópolis, Santa Catarina (Brazil); Michelin, S.E.; Mazon, K.T. [Departamento de Física, Universidade Federal de Santa Catarina, 88040-900, Florianópolis, Santa Catarina (Brazil)
2015-11-01
The vibrational cross sections of the CO molecule induced by positron impact is the focus of this work. The positron–molecule interaction is represented by the static potential plus a model potential designed to take into account the positron–target correlations. To calculate the vibrational cross sections, we applied the multichannel version of the continued fractions method in the close-coupling scheme. We present vibrational excitation cross sections and elastic ones, for the ground and excited vibrational states. The results are interpreted in terms of the vibrational coupling-scheme used in the scattering model.
Tables of thermodynamic functions for gaseous thorium, uranium, and plutonium oxides
International Nuclear Information System (INIS)
Green, D.W.
1980-03-01
Measured and estimated spectroscopic data for thorium, uranium, and plutonium oxide vapor species have been used with the methods of statistical mechanics to calculate thermodynamic functions. Some inconsistencies between spectroscopic data and some thermodynamic data have been resolved by recalculating ΔH 0 /sub f/ (298.15 0 K) values for the vapor species of these oxides. Evaluation of the uncertainties in data, methods of estimating molecular parameters, and effects of assumptions have been discussed elsewhere. The tables of thermodynamic functions that were reported earlier have been revised principally because the low-frequency vibrational modes of UO 2 and UO 3 have now been measured. These new empirical data resulted in changes in the electronic contributions to the calculated thermodynamic functions of UO 2 and the estimated vibrational contributions for PuO 2 . In addition, some minor changes have been made in the methods of calculation of the electronic contributions for all molecules
GENERIC Integrators: Structure Preserving Time Integration for Thermodynamic Systems
Öttinger, Hans Christian
2018-04-01
Thermodynamically admissible evolution equations for non-equilibrium systems are known to possess a distinct mathematical structure. Within the GENERIC (general equation for the non-equilibrium reversible-irreversible coupling) framework of non-equilibrium thermodynamics, which is based on continuous time evolution, we investigate the possibility of preserving all the structural elements in time-discretized equations. Our approach, which follows Moser's [1] construction of symplectic integrators for Hamiltonian systems, is illustrated for the damped harmonic oscillator. Alternative approaches are sketched.
Thermodynamic Product Relations for Generalized Regular Black Hole
International Nuclear Information System (INIS)
Pradhan, Parthapratim
2016-01-01
We derive thermodynamic product relations for four-parametric regular black hole (BH) solutions of the Einstein equations coupled with a nonlinear electrodynamics source. The four parameters can be described by the mass (m), charge (q), dipole moment (α), and quadrupole moment (β), respectively. We study its complete thermodynamics. We compute different thermodynamic products, that is, area product, BH temperature product, specific heat product, and Komar energy product, respectively. Furthermore, we show some complicated function of horizon areas that is indeed mass-independent and could turn out to be universal.
Analysis of non-equilibrium phenomena in inductively coupled plasma generators
Energy Technology Data Exchange (ETDEWEB)
Zhang, W.; Panesi, M., E-mail: mpanesi@illinois.edu [University of Illinois at Urbana-Champaign, Urbana, Illinois 61822 (United States); Lani, A. [Von Karman Institute for Fluid Dynamics, Rhode-Saint-Genèse (Belgium)
2016-07-15
This work addresses the modeling of non-equilibrium phenomena in inductively coupled plasma discharges. In the proposed computational model, the electromagnetic induction equation is solved together with the set of Navier-Stokes equations in order to compute the electromagnetic and flow fields, accounting for their mutual interaction. Semi-classical statistical thermodynamics is used to determine the plasma thermodynamic properties, while transport properties are obtained from kinetic principles, with the method of Chapman and Enskog. Particle ambipolar diffusive fluxes are found by solving the Stefan-Maxwell equations with a simple iterative method. Two physico-mathematical formulations are used to model the chemical reaction processes: (1) A Local Thermodynamics Equilibrium (LTE) formulation and (2) a thermo-chemical non-equilibrium (TCNEQ) formulation. In the TCNEQ model, thermal non-equilibrium between the translational energy mode of the gas and the vibrational energy mode of individual molecules is accounted for. The electronic states of the chemical species are assumed in equilibrium with the vibrational temperature, whereas the rotational energy mode is assumed to be equilibrated with translation. Three different physical models are used to account for the coupling of chemistry and energy transfer processes. Numerical simulations obtained with the LTE and TCNEQ formulations are used to characterize the extent of non-equilibrium of the flow inside the Plasmatron facility at the von Karman Institute. Each model was tested using different kinetic mechanisms to assess the sensitivity of the results to variations in the reaction parameters. A comparison of temperatures and composition profiles at the outlet of the torch demonstrates that the flow is in non-equilibrium for operating conditions characterized by pressures below 30 000 Pa, frequency 0.37 MHz, input power 80 kW, and mass flow 8 g/s.
Thermodynamics of nuclear materials
International Nuclear Information System (INIS)
1962-01-01
The first session of the symposium discussed in general the thermodynamic properties of actinides, including thorium, uranium and Plutonium which provide reactor fuel. The second session was devoted to applications of thermodynamic theory to the study of nuclear materials, while the experimental techniques for the determination of thermodynamic data were examined at the next session. The thermodynamic properties of alloys were considered at a separate session, and another session was concerned with solids other than alloys. Vaporization processes, which are of special interest in the development of high-temperature reactors, were discussed at a separate session. The discussions on the methods of developing the data and ascertaining their accuracy were especially useful in highlighting the importance of determining whether any given data are reliable before they can be put to practical application. Many alloys and refractory materials (i. e. materials which evaporate only at very high temperatures) are of great importance in nuclear technology, and some of these substances are extremely complex in their chemical composition. For example, until recently the phase composition of the oxides of thorium, uranium and plutonium had been only very imperfectly understood, and the same was true of the carbides of these elements. Recent developments in experimental techniques have made it possible to investigate the phase composition of these complex materials as well as the chemical species of these materials in the gaseous phase. Recent developments in measuring techniques, such as fluorine bomb calorimetry and Knudsen effusion technique, have greatly increased the accuracy of thermodynamic data
Peculiarities of Vibration Characteristics of Amorphous Ices
Gets, Kirill V.; Subbotin, Oleg S.; Belosludov, Vladimir R.
2012-03-01
Dynamic properties of low (LDA), high (HDA) and very high (VHDA) density amorphous ices were investigated within the approach based on Lattice Dynamics simulations. In this approach, we assume that the short-range molecular order mainly determines the dynamic and thermodynamic properties of amorphous ices. Simulation cell of 512 water molecules with periodical boundary conditions and disordering allows us to study dynamical properties and dispersion curves in the Brillouin zone of pseudo-crystal. Existence of collective phenomena in amorphous ices which is usual for crystals but anomalous for disordered phase was confirmed in our simulations. Molecule amplitudes of delocalized (collective) as well as localized vibrations have been considered.
Experimental Research on Vibrations of Double Harmonic Gear Transmission
Directory of Open Access Journals (Sweden)
Sava Ianici
2017-11-01
Full Text Available Gears transmission can be important sources of vibration in the mechanical system structures and can have a significant share in the overall vibration level. The current trend of significant increase in powers and speeds transmitted by modern mechanical systems, along with the size reduction, may cause a worsening of the behaviour of transmissions with gears in terms of vibration, especially when the optimization criteria were not respected in the design, execution and installation phase. This paper presents a study of vibrations that occur in a double harmonic gear transmission (DHGT, based on experimental research. The experimental researches revealed that in a double harmonic gear transmission the vibrations are initiated and develop in the multipara harmonics engagement of the teeth and in the kinematic couplings materialized between the wave generator and the flexible toothed wheel. These vibrations are later transmitted by means of the shafts and bearings to the transmission housing, respectively, through the walls of it, propagating in the air.
DEFF Research Database (Denmark)
Westerhoff, Hans V.; Jensen, Peter Ruhdal; Snoep, Jacky L.
1998-01-01
-called emergent properties. Tendency towards increased entropy is an essential determinant for the behaviour of ideal gas mixtures, showing that even in the simplest physical/chemical systems, (dys)organisation of components is crucial for the behaviour of systems. This presentation aims at illustrating...... that the behaviour of two functionally interacting biological components (molecules, protein domains, pathways, organelles) differs from the behaviour these components would exhibit in isolation from one another, where the difference should be essential for the maintenance and growth of the living state, For a true...... 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...
Extended Irreversible Thermodynamics
Jou, David
2010-01-01
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...
Thermodynamics of Crystalline States
Fujimoto, Minoru
2010-01-01
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...
Bandshapes in vibrational spectroscopy
International Nuclear Information System (INIS)
Dijkman, F.G.
1978-01-01
A detailed account is given of the development of modern bandshape theories since 1965. An investigation into the relative contributions of statistical irreversible relaxation processes is described, for a series of molecules in which gradually the length of one molecular axis is increased. An investigation into the theoretical and experimental investigation of the broadening brought about by the effect of fluctuating intermolecular potentials on the vibrational frequency is also described. The effect of an intermolecular perturbative potential on anharmonic and Morse oscillators is discussed and the results are presented of a computation on the broadening of the vibrational band of some diatomic molecules in a rigid lattice type solvent. The broadening of the OH-stretching vibration in a number of aliphatic alcohols, the vibrational bandshapes of the acetylenic C-H stretching vibration and of the symmetric methyl stretching vibration are investigated. (Auth./ C.F.)
The thermodynamic properties of benzothiazole and benzoxazole
Steele, W. V.; Chirico, R. D.; Knipmeyer, S. E.; Nguyen, A.
1991-08-01
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.
Direct observation of vibrational energy dispersal via methyl torsions.
Gardner, Adrian M; Tuttle, William D; Whalley, Laura E; Wright, Timothy G
2018-02-28
Explicit evidence for the role of methyl rotor levels in promoting energy dispersal is reported. A set of coupled zero-order vibration/vibration-torsion (vibtor) levels in the S 1 state of para -fluorotoluene ( p FT) are investigated. Two-dimensional laser-induced fluorescence (2D-LIF) and two-dimensional zero-kinetic-energy (2D-ZEKE) spectra are reported, and the assignment of the main features in both sets of spectra reveals that the methyl torsion is instrumental in providing a route for coupling between vibrational levels of different symmetry classes. We find that there is very localized, and selective, dissipation of energy via doorway states, and that, in addition to an increase in the density of states, a critical role of the methyl group is a relaxation of symmetry constraints compared to direct vibrational coupling.
Concise chemical thermodynamics
Peters, APH
2010-01-01
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
REA, The Editors of
2013-01-01
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
Wong, Kaufui Vincent
2011-01-01
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.
Mechanics, Waves and Thermodynamics
Ranjan Jain, Sudhir
2016-05-01
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.
Statistical thermodynamics of alloys
International Nuclear Information System (INIS)
Gokcen, N.A.
1986-01-01
This book presents information on the following topics: consequences of laws of thermodynamics; Helmholtz and Gibbs energies; analytical forms of excess partial molar properties; single-component and multicomponent equilibria; phase rules and diagrams; lever rule; fermions, bosons, and Boltzons; approximate equations; enthalpy and heat capacity; Pd-H system; hydrogen-metal systems; limitations of Wagner model; energy of electrons and hols; dopants in semiconductors; derived thermodynamic properties; simple equivalent circuit; calculation procedure; multicompoent diagrams re; Engel-Brewer theories; p-n junctions; and solar cells
Transfer vibration through spine
Benyovszky, Adam
2012-01-01
Transfer Vibration through Spine Abstract In the bachelor project we deal with the topic of Transfer Vibration through Spine. The problem of TVS is trying to be solved by the critical review method. We analyse some diagnostic methods and methods of treatment based on this principle. Close attention is paid to the method of Transfer Vibration through Spine that is being currently solved by The Research Institute of Thermomechanics in The Czech Academy of Sciences in cooperation with Faculty of...
Entropy, related thermodynamic properties, and structure of methylisocyanate
International Nuclear Information System (INIS)
Davis, Phil S.; Kilpatrick, John E.
2013-01-01
Highlights: ► The thermodynamic properties of methylisocyanate have been determined by isothermal calorimetry from 15 to 298.15 K. ► The third law entropy has been compared with the entropy calculated by statistical thermodynamics. ► The comparisons are consistent with selected proposed molecular structures and vibrational frequencies. -- Abstract: The entropy and related thermodynamic properties of methylisocyanate, CH 3 NCO, have been determined by isothermal calorimetry. The entropy in the ideal gas state at 298.15 K and 1 atmosphere is S m o = 284.3 ± 0.6 J/K · mol. Other thermodynamic properties determined include: the heat capacity from 15 to 300 K, the temperature of fusion (T fus = 178.461 ± 0.024 K), the enthalpy of fusion (ΔH fus = 7455.2 ± 14.0 J/mol), the enthalpy of vaporization at 298.15 K (ΔH vap = 28768 ± 54 J/mol), and the vapor pressure from fusion to 300 K. Using statistical thermodynamics, the entropy in this same state has been calculated for various assumed structures for methylisocyante which have been proposed based on several spectroscopic and ab initio results. Comparisons between the experimental and calculated entropy have led to the following conclusions concerning historical differences among problematic structural properties: (1) The CNC/CNO angles can have the paired values of 140/180° or 135/173° respectively. It is not possible to distinguish between the two by this thermodynamic analysis. (2) The methyl group functions as a free rotor or near free rotor against the NCO rigid frame. The barrier to internal rotation is less than 2100 J/mol. (3) The CNC vibrational bending frequency is consistent with the more recently observed assignments at 165 and 172 cm −1 with some degree of anharmonicity or with a pure harmonic at about 158 cm −1
Experimental thermodynamics experimental thermodynamics of non-reacting fluids
Neindre, B Le
2013-01-01
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
Thermodynamical inequivalence of quantum stress-energy and spin tensors
International Nuclear Information System (INIS)
Becattini, F.; Tinti, L.
2011-01-01
It is shown that different couples of stress-energy and spin tensors of quantum-relativistic fields, which would be otherwise equivalent, are in fact inequivalent if the second law of thermodynamics is taken into account. The proof of the inequivalence is based on the analysis of a macroscopic system at full thermodynamical equilibrium with a macroscopic total angular momentum and a specific instance is given for the free Dirac field, for which we show that the canonical and Belinfante stress-energy tensors are not equivalent. For this particular case, we show that the difference between the predicted angular momentum densities for a rotating system at full thermodynamical equilibrium is a quantum effect, persisting in the nonrelativistic limit, corresponding to a polarization of particles of the order of (ℎ/2π)ω/KT (ω being the angular velocity) and could in principle be measured experimentally. This result implies that specific stress-energy and spin tensors are physically meaningful even in the absence of gravitational coupling and raises the issue of finding the thermodynamically right (or the right class of) tensors. We argue that the maximization of the thermodynamic potential theoretically allows us to discriminate between two different couples, yet for the present we are unable to provide a theoretical method to single out the best couple of tensors in a given quantum field theory. The existence of a nonvanishing spin tensor would have major consequences in hydrodynamics, gravity and cosmology.
Flow induced vibrations of piping
International Nuclear Information System (INIS)
Gibert, R.J.; Axisa, F.
1977-01-01
In order to design the supports of piping systems, estimations of the vibrations induced by the fluid conveyed through the pipes are generally needed. For that purpose it is necessary to calculate the model parameters of liquid containing pipes. In most computer codes, fluid effects are accounted for just by adding the fluid mass to the structure. This may lead to serious errors. This paper presents a method to take into account these effects, by solving a coupled mechanical-acoustical problem: the computer code TEDEL of the C.E.A /D.E.M.T. System, based on the finite-elements method, has been extended to calculate simultaneously the pressure fluctuations in the fluid and the vibrations of the pipe. By this way the mechanical-acoustical coupled eigenmodes of any piping system can be obtained. These eigenmodes are used to determine the response of the system to various sources. Equations have been written in the hypohesis that acoustical wave lengths remain large compared to the diameter of the pipe. The method has been checked by an experiment performed on the GASCOGNE loop at D.E.M.T. The piping system under test consists of a tube with four elbows. The circuit is ended at each extremity by a large vessel which performs acoustical isolation by generating modes for the pressure. Excitation of the circuit is caused by a valve located near the downstream vessel. This provides an efficient localised broad band acoustical source. The comparison between the test results and the calculations has shown that the low frequency resonant characteristics of the pipe and the vibrational amplitude at various flow-rates can be correctly predicted
Black Hole Thermodynamics in an Undergraduate Thermodynamics Course.
Parker, Barry R.; McLeod, Robert J.
1980-01-01
An analogy, which has been drawn between black hole physics and thermodynamics, is mathematically broadened in this article. Equations similar to the standard partial differential relations of thermodynamics are found for black holes. The results can be used to supplement an undergraduate thermodynamics course. (Author/SK)
Correct thermodynamic forces in Tsallis thermodynamics: connection with Hill nanothermodynamics
International Nuclear Information System (INIS)
Garcia-Morales, Vladimir; Cervera, Javier; Pellicer, Julio
2005-01-01
The equivalence between Tsallis thermodynamics and Hill's nanothermodynamics is established. The correct thermodynamic forces in Tsallis thermodynamics are pointed out. Through this connection we also find a general expression for the entropic index q which we illustrate with two physical examples, allowing in both cases to relate q to the underlying dynamics of the Hamiltonian systems
Thermodynamics of superconducting quantum metamaterials
Energy Technology Data Exchange (ETDEWEB)
Dallaire-Demers, Pierre-Luc; Wilhelm-Mauch, Frank [Universitaet des Saarlandes (Germany)
2015-07-01
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.
Fluctuating Thermodynamics for Biological Processes
Ham, Sihyun
Because biomolecular processes are largely under thermodynamic control, dynamic extension of thermodynamics is necessary to uncover the mechanisms and driving factors of fluctuating processes. The fluctuating thermodynamics technology presented in this talk offers a practical means for the thermodynamic characterization of conformational dynamics in biomolecules. The use of fluctuating thermodynamics has the potential to provide a comprehensive picture of fluctuating phenomena in diverse biological processes. Through the application of fluctuating thermodynamics, we provide a thermodynamic perspective on the misfolding and aggregation of the various proteins associated with human diseases. In this talk, I will present the detailed concepts and applications of the fluctuating thermodynamics technology for elucidating biological processes. This work was supported by Samsung Science and Technology Foundation under Project Number SSTF-BA1401-13.
A Hamiltonian approach to Thermodynamics
Energy Technology Data Exchange (ETDEWEB)
Baldiotti, M.C., E-mail: baldiotti@uel.br [Departamento de Física, Universidade Estadual de Londrina, 86051-990, Londrina-PR (Brazil); Fresneda, R., E-mail: rodrigo.fresneda@ufabc.edu.br [Universidade Federal do ABC, Av. dos Estados 5001, 09210-580, Santo André-SP (Brazil); Molina, C., E-mail: cmolina@usp.br [Escola de Artes, Ciências e Humanidades, Universidade de São Paulo, Av. Arlindo Bettio 1000, CEP 03828-000, São Paulo-SP (Brazil)
2016-10-15
In the present work we develop a strictly Hamiltonian approach to Thermodynamics. A thermodynamic description based on symplectic geometry is introduced, where all thermodynamic processes can be described within the framework of Analytic Mechanics. Our proposal is constructed on top of a usual symplectic manifold, where phase space is even dimensional and one has well-defined Poisson brackets. The main idea is the introduction of an extended phase space where thermodynamic equations of state are realized as constraints. We are then able to apply the canonical transformation toolkit to thermodynamic problems. Throughout this development, Dirac’s theory of constrained systems is extensively used. To illustrate the formalism, we consider paradigmatic examples, namely, the ideal, van der Waals and Clausius gases. - Highlights: • A strictly Hamiltonian approach to Thermodynamics is proposed. • Dirac’s theory of constrained systems is extensively used. • Thermodynamic equations of state are realized as constraints. • Thermodynamic potentials are related by canonical transformations.
A Hamiltonian approach to Thermodynamics
International Nuclear Information System (INIS)
Baldiotti, M.C.; Fresneda, R.; Molina, C.
2016-01-01
In the present work we develop a strictly Hamiltonian approach to Thermodynamics. A thermodynamic description based on symplectic geometry is introduced, where all thermodynamic processes can be described within the framework of Analytic Mechanics. Our proposal is constructed on top of a usual symplectic manifold, where phase space is even dimensional and one has well-defined Poisson brackets. The main idea is the introduction of an extended phase space where thermodynamic equations of state are realized as constraints. We are then able to apply the canonical transformation toolkit to thermodynamic problems. Throughout this development, Dirac’s theory of constrained systems is extensively used. To illustrate the formalism, we consider paradigmatic examples, namely, the ideal, van der Waals and Clausius gases. - Highlights: • A strictly Hamiltonian approach to Thermodynamics is proposed. • Dirac’s theory of constrained systems is extensively used. • Thermodynamic equations of state are realized as constraints. • Thermodynamic potentials are related by canonical transformations.
New perspectives in thermodynamics
International Nuclear Information System (INIS)
Serrin, J.
1986-01-01
The last decade has seen a unity of method and approach in the foundations of thermodynamics and continuum mechanics, in which rigorous laws of thermodynamics have been combined with invariance notions of mechanics to produce new and deep understanding. Real progress has been made in finding a set of appropriate concepts for classical thermodynamics, by which energy conservation and the Clausius inequality can be given well-defined meanings for arbitrary processes and which allow an approach to the entropy concept which is free of traditional ambiguities. There has been, moreover, a careful scrutiny of long established but nevertheless not sharply defined concepts such as the Maxwell equal-area rule, the famous Gibbs phase rule, and the equivalence of work and heat. The thirteen papers in this volume accordingly gather together for the first time the many ideas and concepts which have raised classical thermodynamics from a heuristic and intuitive science to the level of precision presently demanded of other branches of mathematical physics
Thermodynamics and statistical mechanics
Landsberg, Peter T
1990-01-01
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.
Thermodynamic stabilization of colloids
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
Chemical thermodynamics. An introduction
Energy Technology Data Exchange (ETDEWEB)
Keszei, Ernoe [Budapest Univ. (Hungary). Dept. of Physical Chemistry
2012-07-01
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.
Thermodynamics applied. Where? Why?
Hirs, Gerard
2003-01-01
In recent years, thermodynamics has been applied in a number of new fields leading to a greater societal impact. This paper gives a survey of these new fields and the reasons why these applications are important. In addition, it is shown that the number of fields could be even greater in the future
Thermodynamics, applied. : Where? why?
Hirs, Gerard
1999-01-01
In recent years thermodynamics has been applied in a number of new fields leading to a greater societal impact. The paper gives a survey of these new fields and the reasons why these applications are important. In addition it is shown that the number of fields could be even greater in the future and
Debbasch, F.
2011-01-01
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…
Black hole thermodynamical entropy
International Nuclear Information System (INIS)
Tsallis, Constantino; Cirto, Leonardo J.L.
2013-01-01
As early as 1902, Gibbs pointed out that systems whose partition function diverges, e.g. gravitation, lie outside the validity of the Boltzmann-Gibbs (BG) theory. Consistently, since the pioneering Bekenstein-Hawking results, physically meaningful evidence (e.g., the holographic principle) has accumulated that the BG entropy S BG of a (3+1) black hole is proportional to its area L 2 (L being a characteristic linear length), and not to its volume L 3 . Similarly it exists the area law, so named because, for a wide class of strongly quantum-entangled d-dimensional systems, S BG is proportional to lnL if d=1, and to L d-1 if d>1, instead of being proportional to L d (d ≥ 1). These results violate the extensivity of the thermodynamical entropy of a d-dimensional system. This thermodynamical inconsistency disappears if we realize that the thermodynamical entropy of such nonstandard systems is not to be identified with the BG additive entropy but with appropriately generalized nonadditive entropies. Indeed, the celebrated usefulness of the BG entropy is founded on hypothesis such as relatively weak probabilistic correlations (and their connections to ergodicity, which by no means can be assumed as a general rule of nature). Here we introduce a generalized entropy which, for the Schwarzschild black hole and the area law, can solve the thermodynamic puzzle. (orig.)
Thermodynamics Far from the Thermodynamic Limit.
de Miguel, Rodrigo; Rubí, J Miguel
2017-11-16
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.
Thermodynamics for the practicing engineer
Theodore, Louis; Vanvliet, Timothy
2009-01-01
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.
Computational Fluid Dynamic Analysis of a Vibrating Turbine Blade
Directory of Open Access Journals (Sweden)
Osama N. Alshroof
2012-01-01
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.
Choice of the thermodynamic variables
International Nuclear Information System (INIS)
Balian, R.
1985-09-01
Some basic ideas of thermodynamics and statistical mechanics, both at equilibrium and off equilibrium, are recalled. In particular, the selection of relevant variables which underlies any macroscopic description is discussed, together with the meaning of the various thermodynamic quantities, in order to set the thermodynamic approaches used in nuclear physics in a general prospect [fr
Mechanical vibration and shock analysis, sinusoidal vibration
Lalanne, Christian
2014-01-01
Everything engineers need to know about mechanical vibration and shock...in one authoritative reference work! This fully updated and revised 3rd edition addresses the entire field of mechanical vibration and shock as one of the most important types of load and stress applied to structures, machines and components in the real world. Examples include everything from the regular and predictable loads applied to turbines, motors or helicopters by the spinning of their constituent parts to the ability of buildings to withstand damage from wind loads or explosions, and the need for cars to m
Hydroelastic Vibrations of Ships
DEFF Research Database (Denmark)
Jensen, Jørgen Juncher; Folsø, Rasmus
2002-01-01
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...
Surface vibrational spectroscopy
International Nuclear Information System (INIS)
Erskine, J.L.
1984-01-01
A brief review of recent studies which combine measurements of surface vibrational energies with lattice dynamical calculations is presented. These results suggest that surface vibrational spectroscopy offers interesting prospects for use as a molecular-level probe of surface geometry, adsorbate bond distances and molecular orientations
Gearbox vibration diagnostic analyzer
1992-01-01
This report describes the Gearbox Vibration Diagnostic Analyzer installed in the NASA Lewis Research Center's 500 HP Helicopter Transmission Test Stand to monitor gearbox testing. The vibration of the gearbox is analyzed using diagnostic algorithms to calculate a parameter indicating damaged components.
Handbook Of Noise And Vibration
International Nuclear Information System (INIS)
1995-12-01
This book is about noise and vibration. The first chapter has explanations of noise such as basic of sound, influence of noise, assessment of noise, measurement of prevention of noise and technology, case of noise measurement and soundproof. The second chapter describes vibration with outline, theory of vibration, interpretation of vibration, measurement for reduction of vibration, case of design of protection against vibration. It deals with related regulation and method of measurement.
Modeling the thermodynamics of QCD
Energy Technology Data Exchange (ETDEWEB)
Hell, Thomas
2010-07-26
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.)
Mechanical vibration to electrical energy converter
Kellogg, Rick Allen [Tijeras, NM; Brotz, Jay Kristoffer [Albuquerque, NM
2009-03-03
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.
Vibration insensitive interferometry
Millerd, James; Brock, Neal; Hayes, John; Kimbrough, Brad; North-Morris, Michael; Wyant, James C.
2017-11-01
The largest limitation of phase-shifting interferometry for optical testing is the sensitivity to the environment, both vibration and air turbulence. An interferometer using temporal phase-shifting is very sensitive to vibration because the various phase shifted frames of interferometric data are taken at different times and vibration causes the phase shifts between the data frames to be different from what is desired. Vibration effects can be reduced by taking all the phase shifted frames simultaneously and turbulence effects can be reduced by averaging many measurements. There are several techniques for simultaneously obtaining several phase-shifted interferograms and this paper will discuss two such techniques: 1) Simultaneous phase-shifting interferometry on a single detector array (PhaseCam) and 2) Micropolarizer phase-shifting array. The application of these techniques for the testing of large optical components, measurement of vibrational modes, the phasing of segmented optical components, and the measurement of deformations of large diffuse structures is described.
Vibrations of rotating machinery
Matsushita, Osami; Kanki, Hiroshi; Kobayashi, Masao; Keogh, Patrick
2017-01-01
This book opens with an explanation of the vibrations of a single degree-of-freedom (dof) system for all beginners. Subsequently, vibration analysis of multi-dof systems is explained by modal analysis. Mode synthesis modeling is then introduced for system reduction, which aids understanding in a simplified manner of how complicated rotors behave. Rotor balancing techniques are offered for rigid and flexible rotors through several examples. Consideration of gyroscopic influences on the rotordynamics is then provided and vibration evaluation of a rotor-bearing system is emphasized in terms of forward and backward whirl rotor motions through eigenvalue (natural frequency and damping ratio) analysis. In addition to these rotordynamics concerning rotating shaft vibration measured in a stationary reference frame, blade vibrations are analyzed with Coriolis forces expressed in a rotating reference frame. Other phenomena that may be assessed in stationary and rotating reference frames include stability characteristic...
Dark matter influence on black objects thermodynamics
Rogatko, Marek; Wojnar, Aneta
2018-05-01
Physical process version of the first law of black hole thermodynamics in Einstein-Maxwell dark matter gravity was derived. The dark matter sector is mimicked by the additional U(1)-gauge field coupled to the ordinary Maxwell one. By considering any cross section of the black hole event horizon to the future of the bifurcation surface, the equilibrium state version of the first law of black hole mechanics was achieved. The considerations were generalized to the case of Einstein-Yang-Mills dark matter gravity theory. The main conclusion is that the influence of dark matter is crucial in the formation process of black objects. This fact may constitute the explanation of the recent observations of the enormous mass of the super luminous quasars formed in a relatively short time after Big Bang. We also pay attention to the compact binaries thermodynamics, when dark matter sector enters the game.
Thermodynamics of phonon-modulated tunneling centers
International Nuclear Information System (INIS)
Junker, W.; Wagner, M.
1989-01-01
In recent years tunneling centers have frequently been used to explain the unusual thermodynamic properties of disordered materials; in these approaches, however, the effect of the tunneling-phonon interaction is neglected. The present study considers the archetype model of phono-assisted tunneling, which is well known from other areas of tunneling physics (quantum diffusion, etc.). It is shown that the full thermodynamic information can be rigorously extracted from a single Green function. An extended factorization procedure beyond Hartree-Fock is introduced, which is checked by sum rules as well as by exact Goldberger-Adams expansions. The phonon-modulated internal energy and specific heat are calculated for different power-law coupling setups
Contact symmetries and Hamiltonian thermodynamics
International Nuclear Information System (INIS)
Bravetti, A.; Lopez-Monsalvo, C.S.; Nettel, F.
2015-01-01
It has been shown that contact geometry is the proper framework underlying classical thermodynamics and that thermodynamic fluctuations are captured by an additional metric structure related to Fisher’s Information Matrix. In this work we analyse several unaddressed aspects about the application of contact and metric geometry to thermodynamics. We consider here the Thermodynamic Phase Space and start by investigating the role of gauge transformations and Legendre symmetries for metric contact manifolds and their significance in thermodynamics. Then we present a novel mathematical characterization of first order phase transitions as equilibrium processes on the Thermodynamic Phase Space for which the Legendre symmetry is broken. Moreover, we use contact Hamiltonian dynamics to represent thermodynamic processes in a way that resembles the classical Hamiltonian formulation of conservative mechanics and we show that the relevant Hamiltonian coincides with the irreversible entropy production along thermodynamic processes. Therefore, we use such property to give a geometric definition of thermodynamically admissible fluctuations according to the Second Law of thermodynamics. Finally, we show that the length of a curve describing a thermodynamic process measures its entropy production
A broadband electromagnetic energy harvester with a coupled bistable structure
Zhu, Dibin; Beeby, Steve
2013-01-01
This paper investigates a broadband electromagnetic energy harvester with a coupled bistable structure. Both analytical model and experimental results showed that the coupled bistable structure requires lower excitation force to trigger bistable operation than conventional bistable structures. A compact electromagnetic vibration energy harvester with a coupled bistable structure was implemented and tested. It was excited under white noise vibrations. Experimental results showed that the coupl...
Irreversible Thermodynamics of the Universe: Constraints from Planck Data
International Nuclear Information System (INIS)
Saha, Subhajit; Chakraborty, Subenoy; Biswas, Atreyee
2014-01-01
The present work deals with irreversible universal thermodynamics. The homogenous and isotropic flat model of the universe is chosen as open thermodynamical system and nonequilibrium thermodynamics comes into picture. For simplicity, entropy flow is considered only due to heat conduction. Further, due to Maxwell-Cattaneo modified Fourier law for nonequilibrium phenomenon, the temperature satisfies damped wave equation instead of heat conduction equation. Validity of generalized second law of thermodynamics (GSLT) has been investigated for universe bounded by apparent or event horizon with cosmic substratum as perfect fluid with constant or variable equation of state or interacting dark species. Finally, we have used three Planck data sets to constrain the thermal conductivity λ and the coupling parameter b 2 . These constraints must be satisfied in order for GSLT to hold for universe bounded by apparent or event horizons
Thermodynamic database development: Al-Am-Ga-Pu-U
Energy Technology Data Exchange (ETDEWEB)
Perron, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). Physical and Life Sciences; Turchi, P. E. A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). Physical and Life Sciences; Landa, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). Physical and Life Sciences; Soderlind, P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). Physical and Life Sciences
2014-03-17
The goal of this study is about the thermodynamic re-assessment of the Plutonium- Uranium (Pu-U) system as a first step leading to the development of a plutonium-based thermodynamic database (i.e., Pu with Al, Am, Ga, Mo, U…) with resulting phase diagrams and associated thermodynamic data. Indeed, phase stability trends and phase diagrams of multi-component nuclear materials are crucial for predicting properties and performance under normal, hypothetical or even accidental conditions. This work is based on a coupling between ab initio energetics, phenomenological thermodynamics models - based on the CALPHAD (CALculation of PHAse Diagrams) approach - and the use of the Thermo-Calc software, together with experimental data (whenever available). The present report summarizes results obtained (quarter period: 10/07/2013-01/07/2014) under the auspices of an agreement between CEA/DAM and NNSA/DP on cooperation in fundamental science supporting stockpile stewardship (P182).
Statistical Thermodynamics and Microscale Thermophysics
Carey, Van P.
1999-08-01
Many exciting new developments in microscale engineering are based on the application of traditional principles of statistical thermodynamics. In this text Van Carey offers a modern view of thermodynamics, interweaving classical and statistical thermodynamic principles and applying them to current engineering systems. He begins with coverage of microscale energy storage mechanisms from a quantum mechanics perspective and then develops the fundamental elements of classical and statistical thermodynamics. Subsequent chapters discuss applications of equilibrium statistical thermodynamics to solid, liquid, and gas phase systems. The remainder of the book is devoted to nonequilibrium thermodynamics of transport phenomena and to nonequilibrium effects and noncontinuum behavior at the microscale. Although the text emphasizes mathematical development, Carey includes many examples and exercises to illustrate how the theoretical concepts are applied to systems of scientific and engineering interest. In the process he offers a fresh view of statistical thermodynamics for advanced undergraduate and graduate students, as well as practitioners, in mechanical, chemical, and materials engineering.
International Nuclear Information System (INIS)
Bernhoeft, N.; Lander, G.H.; Colineau, E.
2003-01-01
An asymmetric shift in the position of the magnetic Bragg peak with respect to the fiducial lattice has been observed by resonant X-ray scattering in a diverse series of antiferromagnetic compounds. This apparent violation of Bragg's law is interpreted in terms of a dynamically phased order parameter. We demonstrate the use of this effect as a novel probe of fragile or dynamic thermodynamic order in strongly correlated electronic systems. In particular, fresh light is shed on the paradoxical situation encountered in URu 2 Si 2 where the measured entropy gain on passing through T Neel is incompatible with the ground state moment estimated by neutron diffraction. The intrinsic space-time averaging of the probe used to characterise the thermodynamic macroscopic state may play a crucial and previously neglected role. In turn, this suggests the further use of resonant X-ray scattering in investigations of systems dominated by quantum fluctuations. (author)
Demtröder, Wolfgang
2017-01-01
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.
Thermodynamical quantum information sharing
International Nuclear Information System (INIS)
Wiesniak, M.; Vedral, V.; Brukner, C.
2005-01-01
Full text: Thermodynamical properties fully originate from classical physics and can be easily measured for macroscopic systems. On the other hand, entanglement is a widely spoken feature of quantum physics, which allows to perform certain task with efficiency unavailable with any classical resource. Therefore an interesting question is whether we can witness entanglement in a state of a macroscopic sample. We show, that some macroscopic properties, in particular magnetic susceptibility, can serve as an entanglement witnesses. We also study a mutual relation between magnetic susceptibility and magnetisation. Such a complementarity exhibits quantum information sharing between these two thermodynamical quantities. Magnetization expresses properties of individual spins, while susceptibility might reveal non-classical correlations as a witness. Therefore, a rapid change of one of these two quantities may mean a phase transition also in terms of entanglement. The complementarity relation is demonstrated by an analytical solution of an exemplary model. (author)
A commentary on thermodynamics
Day, William Alan
1988-01-01
The aim of this book is to comment on, and clarify, the mathematical aspects of the theory of thermodynamics. The standard presentations of the subject are often beset by a number of obscurities associated with the words "state", "reversible", "irreversible", and "quasi-static". This book is written in the belief that such obscurities are best removed not by the formal axiomatization of thermodynamics, but by setting the theory in the wider context of a genuine field theory which incorporates the effects of heat conduction and intertia, and proving appropriate results about the governing differential equations of this field theory. Even in the simplest one-dimensional case it is a nontrivial task to carry through the details of this program, and many challenging problems remain open.
Thermodynamics of Crystalline States
Fujimoto, Minoru
2013-01-01
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...
International Nuclear Information System (INIS)
Shin, H.K.
1983-01-01
An explicit time dependent approach for simultaneous VT and VV energy transfer in diatom--diatom collisions is explored using the exponential form of ladder operators in the solution of the Schroedinger equation of motion. The collision of two hydrogen molecules is chosen to illustrate the extent of interference between VT and VV modes among various vibrational states. While vibrational energy transfer processes of nominally VT type can be treated with pure VT mode at low collision energies, the intermode coupling is found to be very important at collision energies of several hω. The occurrence of the coupling appears to be nearly universal in vibrational transitions at such energies. Exceptions to the coupling have been discussed
Thermodynamics of clan production
International Nuclear Information System (INIS)
Giovannini, Alberto; Lupia, Sergio; Ugoccioni, Roberto
2002-01-01
Scenarios for particle production in the GeV and TeV regions are reviewed. The expected increase with the c.m. energy of the average number of clans for the soft component and the decrease for the semihard one indicate possible classical and quantum behavior of gluons, respectively. Clan thermodynamics, discussed in the paper, appears as the natural framework to deal with such phenomena
Work reservoirs in thermodynamics
International Nuclear Information System (INIS)
Anacleto, Joaquim
2010-01-01
We stress the usefulness of the work reservoir in the formalism of thermodynamics, in particular in the context of the first law. To elucidate its usefulness, the formalism is then applied to the Joule expansion and other peculiar and instructive experimental situations, clarifying the concepts of configuration and dissipative work. The ideas and discussions presented in this study are primarily intended for undergraduate students, but they might also be useful to graduate students, researchers and teachers.
Work reservoirs in thermodynamics
Anacleto, Joaquim
2010-05-01
We stress the usefulness of the work reservoir in the formalism of thermodynamics, in particular in the context of the first law. To elucidate its usefulness, the formalism is then applied to the Joule expansion and other peculiar and instructive experimental situations, clarifying the concepts of configuration and dissipative work. The ideas and discussions presented in this study are primarily intended for undergraduate students, but they might also be useful to graduate students, researchers and teachers.
International Nuclear Information System (INIS)
Bonasera, A.; Latora, V.; Ploszajczak, M.
1996-07-01
The maximal Lyapunov exponents (LE) are calculated, starting from concepts of hydrodynamics. Analytical expressions for the LE can be found in ergodic limit by using results of the classical thermodynamics for a Boltzmann gas and for systems undergoing a second order phase transition. A recipe is given to measure LE in systems which might have a critical behavior, such as a Bose-Einstein condensation or a transition to a quark-gluon plasma. (author)
Advanced thermodynamic (exergetic) analysis
International Nuclear Information System (INIS)
Tsatsaronis, G; Morosuk, T
2012-01-01
Exergy analysis is a powerful tool for developing, evaluating and improving an energy conversion system. However, the lack of a formal procedure in using the results obtained by an exergy analysis is one of the reasons for exergy analysis not being very popular among energy practitioners. Such a formal procedure cannot be developed as long as the interactions among components of the overall system are not being taken properly into account. Splitting the exergy destruction into unavoidable and avoidable parts in a component provides a realistic measure of the potential for improving the thermodynamic efficiency of this component. Alternatively splitting the exergy destruction into endogenous and exogenous parts provides information on the interactions among system components. Distinctions between avoidable and unavoidable exergy destruction on one side and endogenous and exogenous exergy destruction on the other side allow the engineer to focus on the thermodynamic inefficiencies that can be avoided and to consider the interactions among system components. The avoidable endogenous and the avoidable exogenous exergy destruction provide the best guidance for improving the thermodynamic performance of energy conversion systems.
The discovery of thermodynamics
Weinberger, Peter
2013-07-01
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.
Nonequilibrium thermodynamics of the Kovacs effect
Bouchbinder, Eran; Langer, J. S.
We present a thermodynamic theory of the Kovacs effect based on the idea that the configurational degrees of freedom of a glass-forming material are driven out of equilibrium with the heat bath by irreversible thermal contraction and expansion. We assume that the slowly varying configurational subsystem, i.e. the part of the system that is described by inherent structures, is characterized by an effective temperature, and contains a volume-related internal variable. We examine mechanisms by which irreversible dynamics of the fast, kinetic-vibrational degrees of freedom can cause the entropy and the effective temperature of the configurational subsystem to increase during sufficiently rapid changes in the bath temperature. We then use this theory to interpret the numerical simulations by Mossa and Sciortino (MS), who observe the Kovacs effect in more detail than is feasible in laboratory experiments. Our analysis highlights two mechanisms for the equilibration of internal variables. In one of these, an internal variable first relaxes toward a state of quasi-equilibrium determined by the effective temperature, and then approaches true thermodynamic equilibrium as the effective temperature slowly relaxes toward the bath temperature. In the other mechanism, an internal variable directly equilibrates with the bath temperature on intermediate timescales, without equilibrating with the effective temperature at any stage. Both mechanisms appear to be essential for understanding the MS results.
Silicon micromachined vibrating gyroscopes
Voss, Ralf
1997-09-01
This work gives an overview of silicon micromachined vibrating gyroscopes. Market perspectives and fields of application are pointed out. The advantage of using silicon micromachining is discussed and estimations of the desired performance, especially for automobiles are given. The general principle of vibrating gyroscopes is explained. Vibrating silicon gyroscopes can be divided into seven classes. for each class the characteristic principle is presented and examples are given. Finally a specific sensor, based on a tuning fork for automotive applications with a sensitivity of 250(mu) V/degrees is described in detail.
System Detects Vibrational Instabilities
Bozeman, Richard J., Jr.
1990-01-01
Sustained vibrations at two critical frequencies trigger diagnostic response or shutdown. Vibration-analyzing electronic system detects instabilities of combustion in rocket engine. Controls pulse-mode firing of engine and identifies vibrations above threshold amplitude at 5.9 and/or 12kHz. Adapted to other detection and/or control schemes involving simultaneous real-time detection of signals above or below preset amplitudes at two or more specified frequencies. Potential applications include rotating machinery and encoders and decoders in security systems.
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)
2017-07-15
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.)
Generalized second law of thermodynamic in modified teleparallel theory
International Nuclear Information System (INIS)
Zubair, M.; Bahamonde, Sebastian; Jamil, Mubasher
2017-01-01
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∇ μ T 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.)