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Sample records for dynamic elastic constants

  1. Microstrain-level measurement of third-order elastic constants applying dynamic acousto-elastic testing

    Science.gov (United States)

    Renaud, Guillaume; Talmant, Maryline; Marrelec, Guillaume

    2016-10-01

    The nonlinear elasticity of solids at the microstrain level has been recently studied by applying dynamic acousto-elastic testing. It is the analog of conventional quasi-static acousto-elastic experiments but the strain-dependence (or stress-dependence) of ultrasonic wave-speed is measured with an applied strain ranging from 10-7 to 10-5 and produced by a stationary elastic wave. In conventional quasi-static acousto-elastic experiments, the strain is applied in a quasi-static manner; it exceeds 10-4 and can reach 10-2. In this work, we apply dynamic acousto-elastic testing to measure the third-order elastic constants of two isotropic materials: polymethyl methacrylate and dry Berea sandstone. The peak amplitude of the dynamic applied strain is 8 × 10-6. The method is shown to be particularly suitable for materials exhibiting large elastic nonlinearity like sandstones, since the measurement is performed in the domain of validity of the third-order hyperelastic model. In contrast, conventional quasi-static acousto-elastic experiments in such materials are often performed outside the domain of validity of the third-order hyperelastic model and the stress-dependence of the ultrasonic wave-speed must be extrapolated at zero stress, leading to approximate values of the third-order elastic constants. The uncertainty of the evaluation of the third-order elastic constants is assessed by repeating multiple times the measurements and with Monte-Carlo simulations. The obtained values of the Murnaghan third-order elastic constants are l = -73 GPa ± 9%, m = -34 GPa ± 9%, and n = -61 GPa ± 10% for polymethyl methacrylate, and l = -17 000 GPa ± 20%, m = -11 000 GPa ± 10%, and n = -30 000 GPa ± 20% for dry Berea sandstone.

  2. Stresses and elastic constants of crystalline sodium, from molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Schiferl, S.K.

    1985-02-01

    The stresses and the elastic constants of bcc sodium are calculated by molecular dynamics (MD) for temperatures to T = 340K. The total adiabatic potential of a system of sodium atoms is represented by pseudopotential model. The resulting expression has two terms: a large, strictly volume-dependent potential, plus a sum over ion pairs of a small, volume-dependent two-body potential. The stresses and the elastic constants are given as strain derivatives of the Helmholtz free energy. The resulting expressions involve canonical ensemble averages (and fluctuation averages) of the position and volume derivatives of the potential. An ensemble correction relates the results to MD equilibrium averages. Evaluation of the potential and its derivatives requires the calculation of integrals with infinite upper limits of integration, and integrand singularities. Methods for calculating these integrals and estimating the effects of integration errors are developed. A method is given for choosing initial conditions that relax quickly to a desired equilibrium state. Statistical methods developed earlier for MD data are extended to evaluate uncertainties in fluctuation averages, and to test for symmetry. 45 refs., 10 figs., 4 tabs.

  3. Microstrain-level measurement of third-order elastic constants applying dynamic acousto-elastic testing

    OpenAIRE

    Renaud, Guillaume; Talmant, Maryline; Marrelec, Guillaume

    2016-01-01

    International audience; The nonlinear elasticity of solids at the microstrain level has been recently studied by applying dynamic acousto-elastic testing. It is the analog of conventional quasi-static acousto-elastic experiments but the strain-dependence (or stress-dependence) of ultrasonic wave-speed is measured with an applied strain ranging from 10−7 to 10−5 and produced by a stationary elastic wave. In conventional quasi-static acousto-elastic experiments, the strain is applied in a quasi...

  4. Elastic Constants of Superconducting MgB2 from Molecular Dynamics Simulations with Shell Model

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    The elastic constants of superconducting MgB2 are calculated using a molecular dynamics method (MD)with shell model. The lattice parameters, five independent elastic constants, equations of state (EOS), Debye temperature, and bulk modulus of MgB2 are obtained. Meanwhile, the dependence of the bulk modulus B, the lattice parameters a and c, and the unit cell volume V on the applied pressure are presented. It is demonstrated that the method introduced here can well reproduce the experimental results with a reasonable accuracy.

  5. Elastic constants of calcite

    Science.gov (United States)

    Peselnick, L.; Robie, R.A.

    1962-01-01

    The recent measurements of the elastic constants of calcite by Reddy and Subrahmanyam (1960) disagree with the values obtained independently by Voigt (1910) and Bhimasenachar (1945). The present authors, using an ultrasonic pulse technique at 3 Mc and 25??C, determined the elastic constants of calcite using the exact equations governing the wave velocities in the single crystal. The results are C11=13.7, C33=8.11, C44=3.50, C12=4.82, C13=5.68, and C14=-2.00, in units of 1011 dyncm2. Independent checks of several of the elastic constants were made employing other directions and polarizations of the wave velocities. With the exception of C13, these values substantially agree with the data of Voigt and Bhimasenachar. ?? 1962 The American Institute of Physics.

  6. Calculation of Elastic Constants of Ag/Pd Superlattice Thin Films by Molecular Dynamics with Many-Body Potentials

    Institute of Scientific and Technical Information of China (English)

    GAO Ning; LAI Wen-Sheng

    2006-01-01

    @@ The calculation of elastic constants of Ag/Pd superlattice thin films by molecular dynamics simulations with many-body potentials is presented. It reveals that the elastic constants C11 and C55 increase with decreasing modulation wavelength A of the films, which is consistent with experiments. However, the change of C11 and C55 with A is found to be around the values determined by a rule of mixture using bulk elastic constants of metals.No supermodulus effect is observed and it is due to cancellation between enhanced and reduced contributions to elastic constants from Ag and Pd layers subjected to compressive and tensile strains, respectively.

  7. Estimation of brittleness index using dynamic and static elastic constants in the Haenam Basin, Southwestern Part of Korean Peninsula

    Science.gov (United States)

    Hwang, Seho; Shin, Jehyun; Kim, Jongman; Won, Byeongho; Song, Wonkyoung; Kim, Changryol; Ki, Jungseok

    2014-05-01

    One of the most important physical properties is the measurement of the elastic constants of the formation in the evaluation of shale gas. Normally the elastic constants by geophysical well logging and the laboratory test are used in the design of hydraulic fracturing . The three inches diameter borehole of the depth of 505 m for the evaluation of shale gas drilled and was fully cored at the Haenan Basin, southwestern part of Korea Peninsula. We performed a various laboratory tests and geophysical well logging using slime hole logging system. Geophysical well logs include the radioactive logs such as natural gamma log, density log and neutron log, and monopole and dipole sonic log, and image logs. Laboratory tests are the axial compression test, elastic wave velocities and density, and static elastic constants measurements for 21 shale and sandstone cores. We analyzed the relationships between the physical properties by well logs and laboratory test as well as static elastic constants by laboratory tests. In the case of an sonic log using a monopole source of main frequency 23 kHz, measuring P-wave velocity was performed reliably. When using the dipole excitation of low frequency, the signal to noise ratio of the measured shear wave was very low. But when measuring using time mode in a predetermined depth, the signal to noise ratio of measured data relatively improved to discriminate the shear wave. P-wave velocities by laboratory test and sonic logging agreed well overall, but S-wave velocities didn't. The reason for the discrepancy between the laboratory test and sonic log is mainly the low signal to noise ratio of sonic log data by low frequency dipole source, and measuring S-wave in the small diameter borehole is still challenge. The relationship between the P-wave velocity and two dynamic elastic constants, Young's modulus and Poisson's ratio, shows a good correlation. And the relationship between the static elastic constants and dynamic elastic constants also

  8. Finite-temperature elastic constants of paramagnetic materials within the disordered local moment picture from ab initio molecular dynamics calculations

    Science.gov (United States)

    Mozafari, E.; Shulumba, N.; Steneteg, P.; Alling, B.; Abrikosov, Igor A.

    2016-08-01

    We present a theoretical scheme to calculate the elastic constants of magnetic materials in the high-temperature paramagnetic state. Our approach is based on a combination of disordered local moments picture and ab initio molecular dynamics (DLM-MD). Moreover, we investigate a possibility to enhance the efficiency of the simulations of elastic properties using the recently introduced method: symmetry imposed force constant temperature-dependent effective potential (SIFC-TDEP). We have chosen cubic paramagnetic CrN as a model system. This is done due to its technological importance and its demonstrated strong coupling between magnetic and lattice degrees of freedom. We have studied the temperature-dependent single-crystal and polycrystalline elastic constants of paramagentic CrN up to 1200 K. The obtained results at T = 300 K agree well with the experimental values of polycrystalline elastic constants as well as the Poisson ratio at room temperature. We observe that the Young's modulus is strongly dependent on temperature, decreasing by ˜14 % from T = 300 K to 1200 K. In addition we have studied the elastic anisotropy of CrN as a function of temperature and we observe that CrN becomes substantially more isotropic as the temperature increases. We demonstrate that the use of Birch law may lead to substantial errors for calculations of temperature induced changes of elastic moduli. The proposed methodology can be used for accurate predictions of mechanical properties of magnetic materials at temperatures above their magnetic order-disorder phase transition.

  9. A molecular dynamics calculation of solid phase of malonic acid: role of hydrogen-bond chains and the elastic constants

    Indian Academy of Sciences (India)

    SATHYA S R R PERUMAL; YASHONATH SUBRAMANIAN

    2017-07-01

    Recent studies suggest that hydrogen bonds, in particular, hydrogen bond chains play an important role in determining the properties of a substance.We report an investigation into the triclinic phase of crystalline malonic acid. One of two intermolecular interaction potentials proposed here is seen to predict the lattice parameters as well as the enthalpy of the triclinic phase in good agreement with experimental data. Structural and dynamic properties are reported. Also reported are the lifetime of the hydrogen bond and hydrogen bondchains of length l along [011] direction where l = 1 to 5. From the temperature dependence of the lifetime we have obtained the activation energies of the chains. We also report the elements of elastic constant tensor. Theresults show that the presence of the hydrogen bond chain along [011] direction leads to higher value for elastic tensor Cyyzz suggesting a strong correlation between hydrogen bond chains and the elastic constant along thatdirection. This is consistent with the recent report of Azuri I et al. 2015 Angew. Chem. Int. Ed. Engl. 54 13566 who reported that rather large Young’s modulus for certain amino acid crystals.

  10. Molecular dynamics simulations to calculate glass transition temperature and elastic constants of novel polyethers.

    Science.gov (United States)

    Sarangapani, Radhakrishnan; Reddy, Sreekantha T; Sikder, Arun K

    2015-04-01

    Molecular dynamics simulations studies are carried out on hydroxyl terminated polyethers that are useful in energetic polymeric binder applications. Energetic polymers derived from oxetanes with heterocyclic side chains with different energetic substituents are designed and simulated under the ensembles of constant particle number, pressure, temperature (NPT) and constant particle number, volume, temperature (NVT). Specific volume of different amorphous polymeric models is predicted using NPT-MD simulations as a function of temperature. Plots of specific volume versus temperature exhibited a characteristic change in slope when amorphous systems change from glassy to rubbery state. Several material properties such as Young's, shear, and bulk modulus, Poisson's ratio, etc. are predicted from equilibrated structures and established the structure-property relations among designed polymers. Energetic performance parameters of these polymers are calculated and results reveal that the performance of the designed polymers is comparable to the benchmark energetic polymers like polyNIMMO, polyAMMO and polyBAMO. Overall, it is worthy remark that this molecular simulations study on novel energetic polyethers provides a good guidance on mastering the design principles and allows us to design novel polymers of tailored properties.

  11. Monopoly price discrimination with constant elasticity demand

    OpenAIRE

    Aguirre Pérez, Iñaki; Cowan, Simon George

    2013-01-01

    This paper presents new results on the welfare e¤ects of third-degree price discrimination under constant elasticity demand. We show that when both the share of the strong market under uniform pricing and the elasticity di¤erence between markets are high enough,then price discrimination not only can increase social welfare but also consumer surplus.

  12. Monopoly price discrimination with constant elasticity demand

    OpenAIRE

    Aguirre Pérez, Iñaki; Cowan, Simon George

    2013-01-01

    This paper presents new results on the welfare e¤ects of third-degree price discrimination under constant elasticity demand. We show that when both the share of the strong market under uniform pricing and the elasticity di¤erence between markets are high enough,then price discrimination not only can increase social welfare but also consumer surplus.

  13. A constant elasticity of profit production function

    OpenAIRE

    Beard, Rodney

    2007-01-01

    Impact analysis of changes in production inputs may be simplified if one can apply a constant adjustment factor to profit. In particular, if a production function can be found for which the elasticity of profit is constant and this function has desirable properties, then one can use the input elasticity of profit to study the impact of input changes on profit. In this paper such a production function is derived from first principles.

  14. Athermal nonlinear elastic constants of amorphous solids.

    Science.gov (United States)

    Karmakar, Smarajit; Lerner, Edan; Procaccia, Itamar

    2010-08-01

    We derive expressions for the lowest nonlinear elastic constants of amorphous solids in athermal conditions (up to third order), in terms of the interaction potential between the constituent particles. The effect of these constants cannot be disregarded when amorphous solids undergo instabilities such as plastic flow or fracture in the athermal limit; in such situations the elastic response increases enormously, bringing the system much beyond the linear regime. We demonstrate that the existing theory of thermal nonlinear elastic constants converges to our expressions in the limit of zero temperature. We motivate the calculation by discussing two examples in which these nonlinear elastic constants play a crucial role in the context of elastoplasticity of amorphous solids. The first example is the plasticity-induced memory that is typical to amorphous solids (giving rise to the Bauschinger effect). The second example is how to predict the next plastic event from knowledge of the nonlinear elastic constants. Using the results of our calculations we derive a simple differential equation for the lowest eigenvalue of the Hessian matrix in the external strain near mechanical instabilities; this equation predicts how the eigenvalue vanishes at the mechanical instability and the value of the strain where the mechanical instability takes place.

  15. Twelve Elastic Constants of Betula platyphylla Suk.

    Institute of Scientific and Technical Information of China (English)

    Wang Liyu; Lu Zhenyou

    2004-01-01

    Wood elastic constants are needed to describe the elastic behaviors of wood and be taken as an important design parameter for wood-based composite materials and structural materials. This paper clarified the relationships between compliance coefficients and engineering elastic constants combined with orthotropic properties of wood, and twelve elastic constants of Betula platyphylla Suk. were measured by electrical strain gauges. Spreading the adhesive quantity cannot be excessive or too little when the strain flakes were glued. If excessive, the glue layer was too thick which would influence the strain flakes' performance, and if too little, glues plastered were not firm, which could not accurately transmit the strain. Wood as an orthotropic material, its modulus of elasticity and poisson's ratios are related by two formulas:μij /Ei =μji /Ej and μij 0.95) between the reciprocal of elastic modulus MOE-1 and the square of the ratio of depth to length (h/l)2, which indicate that shear modulus values measured were reliable by three point bending experiment.

  16. The Elastic Constants for Wrought Aluminum Alloys

    Science.gov (United States)

    Templin, R L; Hartmann, E C

    1945-01-01

    There are several constants which have been devised as numerical representations of the behavior of metals under the action of loadings which stress the metal within the range of elastic action. Some of these constants, such as Young's modulus of elasticity in tension and compression, shearing modulus of elasticity, and Poisson's ratio, are regularly used in engineering calculations. Precise tests and experience indicate that these elastic constants are practically unaffected by many of the factors which influence the other mechanical properties of materials and that a few careful determinations under properly controlled conditions are more useful and reliable than many determinations made under less favorable conditions. It is the purpose of this paper to outline the methods employed by the Aluminum Research Laboratories for the determination of some of these elastic constants, to list the values that have been determined for some of the wrought aluminum alloys, and to indicate the variations in the values that may be expected for some of the commercial products of these alloys.

  17. Fractional constant elasticity of variance model

    OpenAIRE

    Ngai Hang Chan; Chi Tim Ng

    2007-01-01

    This paper develops a European option pricing formula for fractional market models. Although there exist option pricing results for a fractional Black-Scholes model, they are established without accounting for stochastic volatility. In this paper, a fractional version of the Constant Elasticity of Variance (CEV) model is developed. European option pricing formula similar to that of the classical CEV model is obtained and a volatility skew pattern is revealed.

  18. Constant-Elasticity-of-Substitution Simulation

    Science.gov (United States)

    Reiter, G.

    1986-01-01

    Program simulates constant elasticity-of-substitution (CES) production function. CES function used by economic analysts to examine production costs as well as uncertainties in production. User provides such input parameters as price of labor, price of capital, and dispersion levels. CES minimizes expected cost to produce capital-uncertainty pair. By varying capital-value input, one obtains series of capital-uncertainty pairs. Capital-uncertainty pairs then used to generate several cost curves. CES program menu driven and features specific print menu for examining selected output curves. Program written in BASIC for interactive execution and implemented on IBM PC-series computer.

  19. Experimental determination of third-order elastic constants of diamond.

    Science.gov (United States)

    Lang, J M; Gupta, Y M

    2011-03-25

    To determine the nonlinear elastic response of diamond, single crystals were shock compressed along the [100], [110], and [111] orientations to 120 GPa peak elastic stresses. Particle velocity histories and elastic wave velocities were measured by using laser interferometry. The measured elastic wave profiles were used, in combination with published acoustic measurements, to determine the complete set of third-order elastic constants. These constants represent the first experimental determination, and several differ significantly from those calculated by using theoretical models.

  20. Development and validation of a ReaxFF reactive force field for Fe/Al/Ni alloys: molecular dynamics study of elastic constants, diffusion, and segregation.

    Science.gov (United States)

    Shin, Yun Kyung; Kwak, Hyunwook; Zou, Chenyu; Vasenkov, Alex V; van Duin, Adri C T

    2012-12-13

    We have developed a ReaxFF force field for Fe/Al/Ni binary alloys based on quantum mechanical (QM) calculations. In addition to the various bulk phases of the binary alloys, the (100), (110) and (111) surface energies and adatom binding energies were included in the training set for the force field parametrization of the Fe/Al/Ni binary alloys. To validate these optimized force fields, we studied (i) elastic constants of the binary alloys at finite temperatures, (ii) diffusivity of alloy components in Al/Ni alloy, and (iii) segregation on the binary alloy surfaces. First, we calculated linear elastic constants of FeAl, FeNi(3), and Ni(3)Al in the temperature range 300 to 1100 K. The temperature dependences of the elastic constants of these three alloys, showing a decrease in C(11), C(12), and C(44) as temperature increases, were in good agreement with the experimental results. We also performed ReaxFF molecular dynamics (MD) simulations for Al or Ni diffusion in the system modeled as Al/Ni mixed layers with the linear composition gradients. At 1000 K, Al diffusivity at the pure Al end was 2 orders of magnitude larger than that in the Al trace layers, probably explaining the nature of different diffusion behavior between molten metals and alloys. However, the diffusivity of Ni at the pure Ni end was only slightly larger than that in the Ni trace layers at the system temperature much lower than the melting temperature of Ni. Third, we investigated the surface segregation in L1(2)-Fe(3)Al, Fe(3)Ni, and Ni(3)Al clusters at high temperature (2500 K). From the analysis of composition distribution of the alloy components from the bulk to the surface layer, it was found that the degree of segregation depended on the chemical composition of the alloy. Al surface segregation occurred most strongly in Fe(3)Al, whereas it occurred most weakly in Ni(3)Al. These results may support the segregation mechanism that surface segregation results from the interplay between the

  1. Teaching nonlinear dynamics through elastic cords

    Energy Technology Data Exchange (ETDEWEB)

    Chacon, R; Galan, C A; Sanchez-Bajo, F, E-mail: rchacon@unex.e [Departamento de Fisica Aplicada, Escuela de IngenierIas Industriales, Universidad de Extremadura, Apartado Postal 382, E-06071 Badajoz (Spain)

    2011-01-15

    We experimentally studied the restoring force of a length of stretched elastic cord. A simple analytical expression for the restoring force was found to fit all the experimental results for different elastic materials. Remarkably, this analytical expression depends upon an elastic-cord characteristic parameter which exhibits two limiting values corresponding to two nonlinear springs with different Hooke's elastic constants. Additionally, the simplest model of elastic cord dynamics is capable of exhibiting a great diversity of nonlinear phenomena, including bifurcations and chaos, thus providing a suitable alternative model system for discussing the basic essentials of nonlinear dynamics in the context of intermediate physics courses at university level.

  2. Empirical correlation among the dynamic elastic constants and the waves P and S velocities in rocks; Correlaciones empiricas entre las constantes elasticas dinamicas y las velocidades de las ondas P y S de las rocas

    Energy Technology Data Exchange (ETDEWEB)

    Contreras Lopez, Enrique [Instituto de Investigaciones Electricas, Cuernavaca (Mexico)

    1995-12-31

    Departing from the analysis of a data base on the velocities of the compression waves (V{sub p}) and the transverse waves (V{sub s}) in a group of 97 specimens of sedimentary, igneous and metamorphic rocks, the existence of four types of empirical correlation very well entailed between the dynamic elastic constants and the velocities V{sub p} and V{sub s}. These correlation allow the estimation with a very close approximation the elastic dynamic constants without the need of having available of the complete set of data (V{sub p}, V{sub s} and total density) that is normally required for its determination. The identified correlation is mathematically expressed by means of adjustment equations that reproduce in all of the cases the experimental values with a standard error of estimation within 10%, for the universe of rocks studied and with much less error for different specific lithological groups. The application methodologies of the correlation found for different cases of practical interest, are described. [Espanol] A partir del analisis de una base de datos experimentales sobre la velocidad de las ondas compresionales (V{sub p}) y de las ondas transversales (V{sub s}) de un conjunto de 97 especimenes de rocas sedimentarias, igneas y metamorficas, se identifica la existencia de cuatro tipos de correlaciones empiricas muy bien comportadas entre las constantes elasticas dinamicas y las velocidades V{sub p} y V{sub s}. Estas correlaciones permiten estimar con muy buena aproximacion las constantes elasticas dinamicas de las rocas sin tener que disponer del conjunto completo de datos (V{sub p}, V{sub s} y densidad total) que normalmente se requieren para su determinacion. Las correlaciones identificadas se expresan matematicamente mediante ecuaciones de ajuste que reproducen en todos los casos los valores experimentales con un error estandar de estimacion dentro de 10% para el universo de las rocas estudiadas, y con mucho menor error para diferentes grupos litologicos

  3. Analysis of Apparent Elasticity Constants of Woven Fabrics

    Institute of Scientific and Technical Information of China (English)

    董侠; 张建春; 张燕

    2001-01-01

    The woven fabric can be defined as orthogonal elastomer if the extension force that puts on the fabric is very small. Based on the precondition, the apparent elasticity constants of a woven fabric were analyzed theoretically in the paper. The bias angle (which is between weft yarns and extension direction ) affects apparent elasticity modulus and elasticity coefficient of the fabric in the extension direction. And the experiment describes fluxes of elasticity constants going with the bias angle of the fabric.

  4. Elastic constant versus temperature behavior of three hardened maraging steels

    Science.gov (United States)

    Ledbetter, H. M.; Austin, M. W.

    1985-01-01

    Elastic constants of three maraging steels were determined by measuring ultrasonic velocities. Annealed steels show slightly lower bulk moduli and considerably lower shear moduli than hardened steels. All the elastic constants (Young's modulus, shear modulus, bulk modulus and Poisson's ratio) show regular temperature behavior between 76 and 400 K. Young's modulus and the shear modulus increase with increasing yield strength, but the bulk modulus and Poisson's ratio are relatively unchanged. Elastic anisotropy is quite small.

  5. Extended temperature dependence of elastic constants in cubic crystals.

    Science.gov (United States)

    Telichko, A V; Sorokin, B P

    2015-08-01

    To extend the theory of the temperature dependence of the elastic constants in cubic crystals beyond the second- and third-order elastic constants, the fourth-order elastic constants, as well as the non-linearity in the thermal expansion temperature dependence, have been taken into account. Theoretical results were represented as temperature functions of the effective elastic constants and compared with experimental data for a number of cubic crystals, such as alkali metal halides, and elements gold and silver. The relations obtained give a more accurate description of the experimental temperature dependences of second-order elastic constants for a number of cubic crystals, including deviations from linear behavior. A good agreement between theoretical estimates and experimental data has been observed.

  6. A first-principles approach to finite temperature elastic constants

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Y; Wang, J J; Zhang, H; Manga, V R; Shang, S L; Chen, L-Q; Liu, Z-K [Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802 (United States)

    2010-06-09

    A first-principles approach to calculating the elastic stiffness coefficients at finite temperatures was proposed. It is based on the assumption that the temperature dependence of elastic stiffness coefficients mainly results from volume change as a function of temperature; it combines the first-principles calculations of elastic constants at 0 K and the first-principles phonon theory of thermal expansion. Its applications to elastic constants of Al, Cu, Ni, Mo, Ta, NiAl, and Ni{sub 3}Al from 0 K up to their respective melting points show excellent agreement between the predicted values and existing experimental measurements.

  7. Some Debye temperatures from single-crystal elastic constant data

    Science.gov (United States)

    Robie, R.A.; Edwards, J.L.

    1966-01-01

    The mean velocity of sound has been calculated for 14 crystalline solids by using the best recent values of their single-crystal elastic stiffness constants. These mean sound velocities have been used to obtain the elastic Debye temperatures ??De for these materials. Models of the three wave velocity surfaces for calcite are illustrated. ?? 1966 The American Institute of Physics.

  8. Defect-induced change of temperature-dependent elastic constants in BCC iron

    Energy Technology Data Exchange (ETDEWEB)

    Gao, N.; Setyawan, W.; Zhang, S. H.; Wang, Z. G.

    2017-07-01

    The effects of radiation-induced defects (randomly distributed vacancies, voids, and interstitial dislocation loops) on temperature-dependent elastic constants, C11, C12, and C44 in BCC iron, are studied with molecular dynamics method. The elastic constants are found to decrease with increasing temperatures for all cases containing different defects. The presence of vacancies, voids, or interstitial loops further decreases the elastic constants. For a given number of point defects, the randomly distributed vacancies show the strongest effect compared to voids or interstitial loops. All these results are expected to provide useful information to combine with experimental results for further understanding of radiation damage.

  9. Elastic constants of the human lens capsule.

    Science.gov (United States)

    Fisher, R F

    1969-03-01

    1. A technique is described whereby the elasticity of the human lens capsule has been determined at birth and throughout life. This technique requires three separate determinations: (a) thickness; (b) stress and strain; (c) Poisson's ratio; (a) the capsule was clamped between accurately perforated ground glass plates and its thickness determined by noting the change in depth of focus between Latex spherules adhering to its upper and lower surfaces; (b) the undisturbed capsule was then placed in a specially designed glass distension apparatus and the relationship between volume and pressure recorded when it was distended with isotonic saline. The permeability of the capsule was also measured; (c) in some cases Poisson's ratio was determined by measuring the change of thickness of the capsule and the height to which it rose when distended with isotonic saline at different pressures. An apparatus was designed for this purpose.2. The average thickness of the anterior capsule increases from birth until about the 60th year but thereafter it decreases slightly.3. Poisson's ratio was about 0.47 for both cat and human capsule, and no significant variations with age in human capsule could be detected.4. Corrected volume pressure curves obeyed Hook's law almost to the point of capsule rupture.5. In childhood Young's Modulus of elasticity is about 6 x 10(7) dyn/cm(2) and decreases to 3 x 10(7) dyn/cm(2) at 60 and 1.5 x 10(7) dyn/cm(2) in extreme old age.6. The ultimate tensile stress was 2.3 x 10(7) dyn/cm(2) in young capsules and 0.7 x 10(7) dyn/cm(2) in old ones. The maximum percentage elongation was 29 per cent and independent of age.7. The implications of these findings are discussed in relation to(a) the mechanical properties of the lens capsule;(b) the ageing of the lens capsule and basement membranes; and(c) the decrease in elasticity of the lens capsule as a cause of presbyopia.

  10. Third order elastic constants of bcc Cu-Al-Ni

    OpenAIRE

    Gonzàlez Comas, Alfons; Mañosa, Lluís

    1996-01-01

    We have measured the changes in the ultrasonic wave velocity, induced by the application of uniaxial stresses in a Cu-Al-Ni single crystal. From these measurements, the complete set of third-order elastic constants has been obtained. The comparison of results for Cu-Al-Ni with available data for other Cu-based alloys has shown that all these alloys exhibit similar anharmonic behavior. By using the measured elastic constants in a Landau expansion for elastic phase transitions, we have been abl...

  11. Stress in Thin Films; Diffraction Elastic Constants and Grain Interaction

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Untextured bulk polycrystals usually possess macroscopically isotropic elastic properties whereas for most thin films transverse isotropy is expected, owing to the limited dimensionality. The usually applied models for the calculation of elastic constants of polycrystals from single crystal elastic constants (so-called grain interaction models) erroneously predict macroscopic isotropy for an (untextured) thin film. This paper presents a summary of recent work where it has been demonstrated for the first time by X-ray diffraction analysis of stresses in thin films that elastic grain interaction can lead to macroscopically elastically anisotropic behaviour (shown by non-linear sin2ψ plots). A new grain interaction model, predicting the macroscopically anisotropic behaviour of thin films, is proposed.

  12. Elastic constants of Transversely Isotropically Porous (TIP) materials

    Energy Technology Data Exchange (ETDEWEB)

    Tuchinskii, L.I.; Kalimova, N.L. [Institute of Problems of Materials Science, Kiev (Ukraine)

    1994-11-01

    The authors derive formulas describing the dependence of the elastic characteristics of multicapillary materials on the capillary porosity. The investigated materials are classified as transversely isotropic, and the anisotropy in their properties is the result of the directionality of the capillary pores. Analysis of the dependences obtained has shown that the elasticity moduli of these materials may be calculated using formulas suggested for reinforced materials, in which the elastic constants of the fibers are assumed to be equal to zero. The authors derive a relation between the Poisson`s ratios and the capillary porosity.

  13. Elastic constants at low temperatures - Recent measurements on technological materials at NBS

    Science.gov (United States)

    Ledbetter, H. M.

    1978-01-01

    Solid-state low-temperature elastic properties have been experimentally studied at the NBS Cryogenic Division for four years. Most studies were between room temperature and liquid-helium temperature; some were only to liquid-nitrogen temperature. Two dynamic (high-frequency) experimental methods were used, pulse-echo and resonance, resulting in adiabatic elastic constants. The present paper reviews these studies for 47 technological materials - metals, alloys, and composites. The elastic constants primarily discussed are Young's modulus, the shear modulus, the bulk modulus (reciprocal compressibility), and Poisson's ratio. A summary table is presented to show which base metals tend to exhibit regular, irregular, or anomalous behavior in their elastic constant/temperature curves.

  14. Elastic constants in orthorhombic hen egg-white lysozyme crystals.

    Science.gov (United States)

    Kitajima, N; Tsukashima, S; Fujii, D; Tachibana, M; Koizumi, H; Wako, K; Kojima, K

    2014-01-01

    The ultrasonic sound velocities of cross-linked orthorhombic hen egg-white lysozyme (HEWL) crystals, including a large amount of water in the crystal, were measured using an ultrasonic pulse-echo method. As a result, seven elastic constants of orthorhombic crystals were observed to be C11 = 5.24 GPa, C22 = 4.87 GPa, C12 = 4.02 GPa, C33 = 5.23 GPa, C44 = 0.30 GPa, C55 = 0.40 GPa, and C66 = 0.43 GPa, respectively. However, C13 and C23 could not be observed because the suitable crystal planes could not be cut from bulk crystals. We conclude that the observed elastic constants of the cross-linked crystals are coincident with those of the intrinsic crystals without cross-linking. Moreover, the characteristics of the elastic constants in orthorhombic HEWL crystals are due to the fact that the shear elastic constants, C44, C55, and C66, are softer than in tetragonal crystals. That is, the shear components, C44, C55, and C66, are one half of those of the tetragonal crystals.

  15. Higher Order Elastic Constants, Gruneisen Parameters and Lattice Thermal Expansion of Lithium Niobate

    OpenAIRE

    Thresiamma Philip; Menon, C S; Indulekha, K.

    2006-01-01

    The second and third-order elastic constants and pressure derivatives of second- order elastic constants of trigonal LiNbO3 (lithium niobate) have been obtained using the deformation theory. The strain energy density estimated using finite strain elasticity is compared with the strain dependent lattice energy density obtained from the elastic continuum model approximation. The second-order elastic constants and the non-vanishing third-order elastic constants along with the pressure derivative...

  16. Dynamics of Elastic Excitable Media

    CERN Document Server

    Cartwright, J H E; Hernández-García, E; Piro, O; Cartwright, Julyan H. E.; Eguiluz, Victor M.; Hernandez-Garcia, Emilio; Piro, Oreste

    1999-01-01

    The Burridge-Knopoff model of earthquake faults with viscous friction is equivalent to a van der Pol-FitzHugh-Nagumo model for excitable media with elastic coupling. The lubricated creep-slip friction law we use in the Burridge-Knopoff model describes the frictional sliding dynamics of a range of real materials. Low-dimensional structures including synchronized oscillations and propagating fronts are dominant, in agreement with the results of laboratory friction experiments. Here we explore the dynamics of fronts in elastic excitable media.

  17. Theory of nine elastic constants of biaxial nematics

    Institute of Scientific and Technical Information of China (English)

    Liu Hong

    2008-01-01

    In this paper, a rotational invariant of interaction energy between two biaxial-shaped molecules is assumed and in the mean field approximation, nine elastic constants for simple distortion patterns in biaxial nematica are derived in terms of the thermal averagewhere D(l)mn is the Wigner rotation matrix.In the lowest order terms, the elastic constants depend on coefficients г,г',λ, order parameters Q0=Q0+Q2vj'j''j(r12) and probability function fk'k'' k (r12), where r12 is the distance between two molecules, andλis proportional to temperature. Q0 and Q2 are parameters related to multiple moments of molecules. Comparing these results with those obtained from Landau-de Gennes theory, we have obtained relationships between coefficients, order parameters used in both theories. In the special case of uniaxial nematics, both results are reduced to a degenerate case where K11=K33.

  18. Determination of the third-order elastic constants of diamond by shock wave simulations

    Science.gov (United States)

    Modak, P.; Verma, Ashok K.; Sharma, Surinder M.

    2015-06-01

    A new methodology comprising finite-strain theory, Hugoniot jump conditions, second-order elastic constants (SOECs) and their pressure derivatives, has been developed and was used to estimate the third-order elastic constants (TOECs) of diamond. Density functional theory was used to compute SOECs and their pressure derivatives. The required shock wave Hugoniots were estimated along the , and directions by classical molecular dynamics simulations. Calculated SOECs and TOECs were compared with available experimental and theoretical results. For SOECs, a fairly good agreement with experimental data was obtained and for TOECs our methodology predicts a better agreement with experimental data compared to other theoretical methods.

  19. Recombining binomial tree for constant elasticity of variance process

    OpenAIRE

    Hi Jun Choe; Jeong Ho Chu; So Jeong Shin

    2014-01-01

    The theme in this paper is the recombining binomial tree to price American put option when the underlying stock follows constant elasticity of variance(CEV) process. Recombining nodes of binomial tree are decided from finite difference scheme to emulate CEV process and the tree has a linear complexity. Also it is derived from the differential equation the asymptotic envelope of the boundary of tree. Conducting numerical experiments, we confirm the convergence and accuracy of the pricing by ou...

  20. Higher Order Elastic Constants, Gruneisen Parameters and Lattice Thermal Expansion of Trigonal Calcite

    OpenAIRE

    Thresiamma Phlip; Menon, C S; Indulekha, K.

    2005-01-01

    The second- and third-order elastic constants of trigonal calcite have been obtained using the deformation theory. The strain energy density derived using the deformation theory is compared with the strain dependent lattice energy obtained from the elastic continuum model approximation to get the expressions for the second- and third-order elastic constants. Higher order elastic constants are a measure of the anharmonicity of a crystal lattice. The seven second-order elastic constants and the...

  1. Single-crystal elastic constants of natural ettringite

    KAUST Repository

    Speziale, Sergio

    2008-07-01

    The single-crystal elastic constants of natural ettringite were determined by Brillouin spectroscopy at ambient conditions. The six non-zero elastic constants of this trigonal mineral are: C11 = 35.1 ± 0.1 GPa, C12 = 21.9 ±0.1 GPa, C13 = 20.0 ± 0.5 GPa, C14 = 0.6 ± 0.2 GPa, C33 = 55 ± 1 GPa, C44 = 11.0 ± 0.2 GPa. The Hill average of the aggregate bulk, shear modulus and the polycrystal Young\\'s modulus and Poisson\\'s ratio are 27.3 ± 0.9 GPa, 9.5 ± 0.8 GPa, 25 ± 2 GPa and 0.34 ± 0.02 respectively. The longitudinal and shear elastic anisotropy are C33/C11 = 0.64 ± 0.01 and C66/C44 =0.60 ± 0.01. The elastic anisotropy in ettringite is connected to its crystallographic structure. Stiff chains of [Al(OH)6]3- octahedra alternating with triplets of Ca2+ in eight-fold coordination run parallel to the c-axis leading to higher stiffness along this direction. The determination of the elastic stiffness tensor can help in the prediction of the early age properties of cement paste when ettringite crystals precipitate and in the modeling of both internal and external sulfate attack when secondary ettringite formation leads to expansion of concrete. © 2008 Elsevier Ltd. All rights reserved.

  2. Properties of elastic percolating networks in isotropic media with arbitrary elastic constants

    Science.gov (United States)

    Pla, O.; Garcia-Molina, R.; Guinea, F.; Louis, E.

    1990-06-01

    The properties of diluted elastic media in two dimensions are investigated in an isotropic system in which the ratio between the two Lamé coefficients can be varied. Changes in the ratio between the continuum elastic constants induce significant variations in the behavior of the system away from the threshold for percolation, but not in the properties near the percolation transition. We discuss the results in both cases and their relevance to the definition of the universal properties of diluted elastic networks. It is shown that many features of interest, like the bulk modulus at intermediate concentrations of voids and the backbone, are very dependent on the microscopic details of the model, and not only on its macroscopic behavior. Thus, elastic percolation does not seem to have the same degree of universality as scalar percolation.

  3. Elastic constants for superplastically formed/diffusion-bonded sandwich structures

    Science.gov (United States)

    Ko, W. L.

    1979-01-01

    Formulae and the associated graphs are presented for contrasting the effective elastic constants for a superplastically formed/diffusion-bonded (SPF/DB) corrugated sandwich core and a honeycomb sandwich core. The results used in the comparison of the structural properties of the two types of sandwich cores are under conditions of equal sandwich density. It was found that the stiffness in the thickness direction of the optimum SPF/DB corrugated core (i.e., triangular truss core) was lower than that of the honeycomb core, and that the former had higher transverse shear stiffness than the latter.

  4. X-Ray Elastic Constants and Residual Stress Distributions of Zirconia Thermal Barrier Coating

    OpenAIRE

    鈴木, 賢治; 町屋, 修太郎; 田中, 啓介; 坂井田, 喜久; SUZUKI, Kenji; Machiya, Syutaro; Tanaka, Keisuke; Sakaida, Yoshihisa

    2001-01-01

    Accurate values of X-ray elastic constants are required for a reliable stress measurement of thermal barrier coating films (TBC films). In this paper, atmosphere and pressureless plasma sprayed TBC films were removed from substrates, then X-ray elastic constants of both TBC films were determained by using newly developed tensile jig. For the atmosphere plasma sprayed film, the value of the mechanical elastic constant was much smaller than the X-ray elastic constant owing to cracks or pores ex...

  5. Elastic constant of Dendrobium protoplasts in AC electric fields

    Directory of Open Access Journals (Sweden)

    Pikul Wanichapichart

    2002-11-01

    Full Text Available This work reports elongation of Dendrobium protoplasts in an ac electric field between two cylindrical electrodes. A protoplast firstly was translated towards an electrode by dielectrophoretic force in 17 kV.m-1 field strength at 1 MHz, and secondly it was elongated due to an interaction between an induced electric dipole (μ and the electric field (E. Protoplast elongation was observed by varying both the field strength at 30, 45, 60, and 85 kV.m-1 and field frequency at 0.5, 1, 5, and 10 MHz. For a given field frequency and field strength, a parameter a/b (major/minor axis was measured as the protoplast elongation.Two-step elongation and restoration phases were observed. The former was completed within 2 minutes of field exposure, and the latter was completed within 15 seconds regardless of the field exposure time between 3 and 20 minutes. The evidence of a complete restoration indicated that the elasticity of the protoplast membrane obeyed Hooke’s law. This study also found that elastic constant k of the membrane varied non-linearly with the field strength. It was found to be from 0.04 to 0.08 mN.m-1, dependent on the field frequency.

  6. Determination of the elastic constants of portlandite by Brillouin spectroscopy

    KAUST Repository

    Speziale, S.

    2008-10-01

    The single crystal elastic constants Cij and the shear and adiabatic bulk modulus of a natural portlandite (Ca(OH)2) crystal were determined by Brillouin spectroscopy at ambient conditions. The elastic constants, expressed in GPa, are: C11 = 102.0(± 2.0), C12 = 32.1(± 1.0), C13 = 8.4(± 0.4), C14 = 4.5(± 0.2), C33 = 33.6(± 0.7), C44 = 12.0(± 0.3), C66 = (C11-C12)/2 = 35.0(± 1.1), where the numbers in parentheses are 1σ standard deviations. The Reuss bounds of the adiabatic bulk and shear moduli are K0S = 26.0(± 0.3) GPa and G0 = 17.5(± 0.4) GPa, respectively, while the Voigt bounds of these moduli are K0S = 37.3(± 0.4) GPa and G0 = 24.4(± 0.3) GPa. The Reuss and Voigt bounds for the aggregate Young\\'s modulus are 42.8(± 1.0) GPa and 60.0(± 0.8) GPa respectively, while the aggregate Poisson\\'s ratio is equal to 0.23(± 0.01). Portlandite exhibits both large compressional elastic anisotropy with C11/C33 = 3.03(± 0.09) equivalent to that of the isostructural hydroxide brucite (Mg(OH)2), and large shear anisotropy with C66/C44 = 2.92(± 0.12) which is 11% larger than brucite. The comparison between the bulk modulus of portlandite and that of lime (CaO) confirms a systematic linear relationship between the bulk moduli of brucite-type simple hydroxides and the corresponding NaCl-type oxides. © 2008 Elsevier Ltd. All rights reserved.

  7. Higher Order Elastic Constants, Gruneisen Parameters and Lattice Thermal Expansion of Trigonal Calcite

    Directory of Open Access Journals (Sweden)

    Thresiamma Phlip

    2005-01-01

    Full Text Available The second- and third-order elastic constants of trigonal calcite have been obtained using the deformation theory. The strain energy density derived using the deformation theory is compared with the strain dependent lattice energy obtained from the elastic continuum model approximation to get the expressions for the second- and third-order elastic constants. Higher order elastic constants are a measure of the anharmonicity of a crystal lattice. The seven second-order elastic constants and the fourteen non-vanishing third-order elastic constants of trigonal calcite are obtained. The second-order elastic constants C11, which corresponds to the elastic stiffness along the basal plane of the crystal is greater than C33, which corresponds to the elastic stiffness tensor component along the c-axis of the crystal. First order pressure derivatives of the second-order elastic constants of calcite are evaluated. The higher order elastic constants are used to find the generalized Gruneisen parameters of the elastic waves propagating in different directions in calcite. The Brugger gammas are evaluated and the low temperature limit of the Gruneisen gamma is obtained. The results are compared with available reported values.

  8. Is the Armington Elasticity Really Constant across Importers?

    OpenAIRE

    Yilmazkuday, Hakan

    2009-01-01

    This paper shows that the Armington elasticity, which refers to both the elasticity of substitution across goods and the price elasticity of demand under the assumption of a large number of varieties, systematically changes from one importer country to another in an international trade context. Then a natural question to ask is "What determines the Armington elasticity?" The answer comes from the distinction between the elasticity of demand with respect to the destination price (i.e., the Arm...

  9. Is the Armington Elasticity Really Constant across Importers?

    OpenAIRE

    Yilmazkuday, Hakan

    2009-01-01

    This paper shows that the Armington elasticity, which refers to both the elasticity of substitution across goods and the price elasticity of demand under the assumption of a large number of varieties, systematically changes from one importer country to another in an international trade context. Then a natural question to ask is "What determines the Armington elasticity?" The answer comes from the distinction between the elasticity of demand with respect to the destination price (i.e., the Arm...

  10. Chairside CAD/CAM materials. Part 1: Measurement of elastic constants and microstructural characterization.

    Science.gov (United States)

    Belli, Renan; Wendler, Michael; de Ligny, Dominique; Cicconi, Maria Rita; Petschelt, Anselm; Peterlik, Herwig; Lohbauer, Ulrich

    2017-01-01

    A deeper understanding of the mechanical behavior of dental restorative materials requires an insight into the materials elastic constants and microstructure. Here we aim to use complementary methodologies to thoroughly characterize chairside CAD/CAM materials and discuss the benefits and limitations of different analytical strategies. Eight commercial CAM/CAM materials, ranging from polycrystalline zirconia (e.max ZirCAD, Ivoclar-Vivadent), reinforced glasses (Vitablocs Mark II, VITA; Empress CAD, Ivoclar-Vivadent) and glass-ceramics (e.max CAD, Ivoclar-Vivadent; Suprinity, VITA; Celtra Duo, Dentsply) to hybrid materials (Enamic, VITA; Lava Ultimate, 3M ESPE) have been selected. Elastic constants were evaluated using three methods: Resonant Ultrasound Spectroscopy (RUS), Resonant Beam Technique (RBT) and Ultrasonic Pulse-Echo (PE). The microstructures were characterized using Scanning Electron Microscopy (SEM), Energy Dispersive X-ray Spectroscopy (EDX), Raman Spectroscopy and X-ray Diffraction (XRD). Young's modulus (E), Shear modulus (G), Bulk modulus (B) and Poisson's ratio (ν) were obtained for each material. E and ν reached values ranging from 10.9 (Lava Ultimate) to 201.4 (e.max ZirCAD) and 0.173 (Empress CAD) to 0.47 (Lava Ultimate), respectively. RUS showed to be the most complex and reliable method, while the PE method the easiest to perform but most unreliable. All dynamic methods have shown limitations in measuring the elastic constants of materials showing high damping behavior (hybrid materials). SEM images, Raman spectra and XRD patterns were made available for each material, showing to be complementary tools in the characterization of their crystal phases. Here different methodologies are compared for the measurement of elastic constants and microstructural characterization of CAD/CAM restorative materials. The elastic properties and crystal phases of eight materials are herein fully characterized. Copyright © 2016 The Academy of Dental Materials

  11. A potential for Th from inversion of cohesive energy: Elastic constants

    Energy Technology Data Exchange (ETDEWEB)

    Jaroszewicz, S., E-mail: jaroszew@tandar.cnea.gov.ar [Gerencia de Investigacion y Aplicaciones, Comision Nacional de Energia Atomica (Argentina); Mosca, H.O. [Gerencia de Investigacion y Aplicaciones, Comision Nacional de Energia Atomica (Argentina); Garces, J.E. [DAEE, Centro Atomico Bariloche, Comision Nacional de Energia Atomica (Argentina)

    2012-08-15

    An interatomic pair potential for Th was derived by using the Chen-Mobius lattice inversion of cohesive energy for fcc Th as a starting point to develop a free-parameter potential suitable to be used in molecular dynamic calculations for predicting microstructure evolution and thermal properties in multicomponent nuclear fuel. The cohesive energy versus lattice parameter of Th was computed from first principles electronic structure calculations. The elastic constants for fcc Th were calculated by applying different types of strain to the starting crystal. Based on this information, the shear modulus, the Youngs modulus and the Poissons ratio were obtained. The computed elastic constants of fcc Th are found to be in a good agreement with experiments and previous theoretical results.

  12. Higher Order Elastic Constants, Gruneisen Parameters and Lattice Thermal Expansion of Lithium Niobate

    Directory of Open Access Journals (Sweden)

    Thresiamma Philip

    2006-01-01

    Full Text Available The second and third-order elastic constants and pressure derivatives of second- order elastic constants of trigonal LiNbO3 (lithium niobate have been obtained using the deformation theory. The strain energy density estimated using finite strain elasticity is compared with the strain dependent lattice energy density obtained from the elastic continuum model approximation. The second-order elastic constants and the non-vanishing third-order elastic constants along with the pressure derivatives of trigonal LiNbO3 are obtained in the present work. The second and third-order elastic constants are compared with available experimental values. The second-order elastic constant C11 which corresponds to the elastic stiffness along the basal plane of the crystal is less than C33 which corresponds to the elastic stiffness tensor component along the c-axis of the crystal. The pressure derivatives, dC'ij/dp obtained in the present work, indicate that trigonal LiNbO3 is compressible. The higher order elastic constants are used to find the generalized Gruneisen parameters of the elastic waves propagating in different directions in LiNbO3. The Brugger gammas are evaluated and the low temperature limit of the Gruneisen gamma is obtained. The results are compared with available reported values.

  13. Evaluation of elastic constants of materials using the frequency spectrum

    Energy Technology Data Exchange (ETDEWEB)

    Silva Neto, Ramiro J. da; Baroni, Douglas B.; Bittencourt, Marcelo de S.Q., E-mail: ramirobd@gmail.com [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeiro, RJ (Brazil). Departamento de Materiais Nucleares. Laboratorio de Ultrassom

    2015-07-01

    The characterization of materials made with the support of non-destructive techniques has great importance in industrial applications. The ultrasonic techniques are distinguished by good resolution to measure small variations of wave velocities as a result of changes in the character suffered by a particular material. In general these ultrasonic techniques are studied in the time domain, which represents an experimental difficulties when thin materials are analyzed, as well as to attenuate the ultrasonic signal drastically. An ultrasonic technique that uses the frequency domain is used in this study aiming to provide good time measurements to calculate the elastic constants of the first order in an aluminum alloy 6351. With the aid of a statistical approach was possible to have good results of tests performed when compared by a time domain technique already well explored in Ultrasound works produced in the Nuclear Engineering Institute Laboratory (LABUS / IEN) and also presented in most of the package, in good agreement with the theoretical model established in literature and used to validate the experiment, which was found in the results with good approximation. The relevance of this work in the nuclear area is associated with the interest to know the mechanical properties of structural components of the nuclear industry, which is currently studied as a rule, resorting to the computer simulations or previously during the operation of the system. (author)

  14. Measuring elastic constants using non-contact ultrasonic techniques

    Science.gov (United States)

    Edwards, R. S.; Perry, R.; Cleanthous, D.; Backhouse, D. J.; Moore, I. J.; Clough, A. R.; Stone, D. I.

    2012-05-01

    The use of ultrasound for measuring elastic constants and phase transitions is well established. Standard measurements use piezoelectric transducers requiring couplant and contact with the sample. Recently, non-destructive testing (NDT) has seen an increase in the use of non-contact ultrasonic techniques, for example electromagnetic acoustic transducers (EMATs) and laser ultrasound, due to their many benefits. For measurements of single crystals over a range of temperatures non-contact techniques could also bring many benefits. These techniques do not require couplant, and hence do not suffer from breaking of the bond between transducer and sample during thermal cycling, and will potentially lead to a simpler and more adaptable measurement system with lower risk of sample damage. We present recent work adapting EMAT advances from NDT to measurements of single crystals at cryogenic temperatures and illustrate this with measurements of magnetic phase transitions in Gd64Sc36 using both contact and non-contact transducers. We discuss the measurement techniques implemented to overcome noise problems, and a digital pulse-echo-overlap technique, using data analysis in the frequency domain to measure the velocity.

  15. ELASTIC: A Large Scale Dynamic Tuning Environment

    Directory of Open Access Journals (Sweden)

    Andrea Martínez

    2014-01-01

    Full Text Available The spectacular growth in the number of cores in current supercomputers poses design challenges for the development of performance analysis and tuning tools. To be effective, such analysis and tuning tools must be scalable and be able to manage the dynamic behaviour of parallel applications. In this work, we present ELASTIC, an environment for dynamic tuning of large-scale parallel applications. To be scalable, the architecture of ELASTIC takes the form of a hierarchical tuning network of nodes that perform a distributed analysis and tuning process. Moreover, the tuning network topology can be configured to adapt itself to the size of the parallel application. To guide the dynamic tuning process, ELASTIC supports a plugin architecture. These plugins, called ELASTIC packages, allow the integration of different tuning strategies into ELASTIC. We also present experimental tests conducted using ELASTIC, showing its effectiveness to improve the performance of large-scale parallel applications.

  16. Optimal cuts to extract the third-order elastic constants of langasite single crystals.

    Science.gov (United States)

    Zhang, Haifeng

    2011-06-01

    Optimal cuts to determine the third-order elastic constants of langasite single crystals by the resonator method are proposed. By designing a small number of langasite resonators with optimal cut angles and measuring their force-frequency effects, the third-order elastic constants of langasite single crystals may be extracted separately. The numerical method to search for these optimal cut angles is presented. All 14 third-order elastic constants may be determined through a series of experimental measurements. This method will simplify traditional methods used to determine the third-order elastic constants and could potentially produce more accurate results.

  17. Bounds and self-consistent estimates of the elastic constants of polycrystals

    Science.gov (United States)

    Kube, Christopher M.; Arguelles, Andrea P.

    2016-10-01

    The Hashin-Shtrikman bounds on the elastic constants have been previously calculated for polycrystalline materials with crystallites having general elastic symmetry (triclinic crystallite symmetry). However, the calculation of tighter bounds and the self-consistent estimates of these elastic constants has remained unsolved. In this paper, a general theoretical expression for the self-consistent elastic constants is formulated. An iterative method is used to solve the expression for the self-consistent estimates. Each iteration of the solution gives the next tighter set of bounds including the well-known Voigt-Reuss and Hashin-Shtrikman bounds. Thus, all of the bounds on the elastic constants and the self-consistent estimates for any crystallite symmetry are obtained in a single, computationally efficient procedure. The bounds and self-consistent elastic constants are reported for several geophysical materials having crystallites of monoclinic and triclinic symmetries.

  18. The Elastic Constants Measurement of Metal Alloy by Using Ultrasonic Nondestructive Method at Different Temperature

    Directory of Open Access Journals (Sweden)

    Eryi Hu

    2016-01-01

    Full Text Available The ultrasonic nondestructive method is introduced into the elastic constants measurement of metal material. The extraction principle of Poisson’s ratio, elastic modulus, and shear modulus is deduced from the ultrasonic propagating equations with two kinds of vibration model of the elastic medium named ultrasonic longitudinal wave and transverse wave, respectively. The ultrasonic propagating velocity is measured by using the digital correlation technique between the ultrasonic original signal and the echo signal from the bottom surface, and then the elastic constants of the metal material are calculated. The feasibility of the correlation algorithm is verified by a simulation procedure. Finally, in order to obtain the stability of the elastic properties of different metal materials in a variable engineering application environment, the elastic constants of two kinds of metal materials in different temperature environment are measured by the proposed ultrasonic method.

  19. Three-dimensional treatment of nonequilibrium dynamics and higher order elasticity

    Science.gov (United States)

    Lott, Martin; Payan, Cédric; Garnier, Vincent; Vu, Quang A.; Eiras, Jesús N.; Remillieux, Marcel C.; Le Bas, Pierre-Yves; Ulrich, T. J.

    2016-04-01

    This letter presents a three-dimensional model to describe the complex behavior of nonlinear mesoscopic elastic materials such as rocks and concrete. Assuming isotropy and geometric contraction of principal stress axes under dynamic loading, the expression of elastic wave velocity is derived, based on the second-order elastic constants ( λ , μ ) , third-order elastic constants (l, m, n), and a parameter α of nonclassical nonlinear elasticity resulting from conditioning. We demonstrate that both softening and recovering of the elastic properties under dynamic loading is an isotropic effect related to the strain tensor. The measurement of the conditioning is achieved using three polarized waves. The model allows the evaluation of the third-order elastic constants uncoupled from conditioning and viscoelastic effects. The values obtained are similar to those reported in the literature using quasi-static loading.

  20. High-Order Elastic Constants and Anharmonic Properties of NaBH4: First-Principles Calculations

    Institute of Scientific and Technical Information of China (English)

    ZHANG Xiao-Dong; JIANG Zhen-Yi; ZHOU Bo; HOU Zhu-Feng; HOU Yu-Qing

    2011-01-01

    We present theoretical studies for second- and third-order elastic constants in NaBH4 based on ab initio calculations. Our calculated second-order elastic constants agree well with available experimental results. The anharmonic properties of NaBH4,such as pressure derivative of the second-order elastic constants and the Grüneisen constants for long-wavelength acoustic modeγ(q,j),are characterized using the third-order elastic constants.

  1. Ultrasonic measurement of elastic constants in fiber-reinforced polymer composites under influence of absorbed moisture

    DEFF Research Database (Denmark)

    Nielsen, S.A.; Toftegaard, H.

    2000-01-01

    This paper presents an attempt to quantify hygral aging in fiber-reinforced polymer composites by the elastic constants C-11 and C-33. Quantitative ultrasonic measurements of the elastic constants for three different unidirectional as well as three different cross-ply specimens were compared....... The specimens were manufactured with different moisture resistant surfaces and immersed in water for 24 h. By calculating the elastic constants, it was taken into account that hygral aging was accompanied by absorption of moisture in the polymer matrix. Moisture changed the laminate dimensions significantly...

  2. Optimal Investment and Consumption Decisions under the Constant Elasticity of Variance Model

    Directory of Open Access Journals (Sweden)

    Hao Chang

    2013-01-01

    Full Text Available We consider an investment and consumption problem under the constant elasticity of variance (CEV model, which is an extension of the original Merton’s problem. In the proposed model, stock price dynamics is assumed to follow a CEV model and our goal is to maximize the expected discounted utility of consumption and terminal wealth. Firstly, we apply dynamic programming principle to obtain the Hamilton-Jacobi-Bellman (HJB equation for the value function. Secondly, we choose power utility and logarithm utility for our analysis and apply variable change technique to obtain the closed-form solutions to the optimal investment and consumption strategies. Finally, we provide a numerical example to illustrate the effect of market parameters on the optimal investment and consumption strategies.

  3. Dynamic response of visco-elastic plates

    Science.gov (United States)

    Kadıoǧlu, Fethi; Tekin, Gülçin

    2016-12-01

    In this study, a comprehensive analysis about the dynamic response characteristics of visco-elastic plates is given. To construct the functional in the Laplace-Carson domain for the analysis of visco-elastic plates based on the Kirchhoff hypothesis, functional analysis method is employed. By using this new energy functional in the Laplace-Carson domain, moment values that are important for engineers can be obtained directly with excellent accuracy and element equations can be written explicitly. Three-element model is considered for modelling the visco-elastic material behavior. The solutions obtained in the Laplace-Carson domain by utilizing mixed finite element formulation are transformed to the time domain using the Durbin's inverse Laplace transform technique. The proposed mixed finite element formulation is shown to be simple to implement and gives satisfactory results for dynamic response of visco-elastic plates.

  4. X-ray elastic constants and residual stress of textured titanium nitride coating

    Energy Technology Data Exchange (ETDEWEB)

    Sue, J.A. (Union Carbide Coatings Service Corp., Indianapolis, IN (United States))

    1992-11-16

    X-ray elastic constants for the (422) and (333)/(511) reflections of the [l brace]111[r brace] textured TiN coating were determined. The coating exhibited high elastic anisotropy. The X-ray elastic constant of the (422) reflection was comparable with those predicted from single crystal elastic compliances on the basis of the Voigt and Reuss models, whereas a significant deviation from these models was found for (333)/(511). The residual stress of the coating was determined by X-ray diffraction and bi-metal deflection techniques. The magnitude of residual stress in the coating calculated using the measured X-ray elastic constants was in good agreement with these two reflections and, within experimental scatter, the values were also consistent with those obtained from the deflection measurement.

  5. Elastic constants of Al and TiN calculated by ab initio method

    Institute of Scientific and Technical Information of China (English)

    张铭; 申江; 何家文

    2001-01-01

    The elastic constants of Al single crystal were calculated by ab initio method for calibration. Three deformation directions were selected in order to obtain the different constants of c11, c12 and c44. The cohesion energy curves of the three deformation directions were calculated. The results of the second order partial differential at the equilibrium point of the cohesion energy curve provide the elastic constants of the Al single crystal. The changes of crystal symmetry and lattice can lead to the deviations of the calculated cohesion energy curves and the accurate elastic constants can not be obtained, but when the correction is taken into calculation, the calculated results are very close to the literature data. It is very difficult to obtain the elastic constants of thin films by experiment and the data from the handbook are scattered in a large scale. However, the elastic constants calculated by this method can be served as a standard. Though the errors of TiN elastic constants calculated by this method are a little higher than that for Al, the results are acceptable.

  6. Elastic constants and thermodynamics properties of pristine PEDOT revealed: A first-principles PBE/PBE PAW approach

    CERN Document Server

    Agbaoye, R O; Akinlami, J O; Afolabi, T A; Karazhanov, S Zh; Ceresoli, D; Adebayo, G A

    2016-01-01

    In this work, we report for the first time, detailed calculations of elastic and thermodynamic properties of organic poly(3,4-ethylenedioxythiophene), PEDOT, in an undiluted state, using PBE and PBEsol-PAW pseudopotentials within the framework of Generalized Gradient Approximation Density Functional Theory. Contrary to Molecular Dynamic simulations, series of PBE and PBEsol-PAW calculations in the current work revealed the most stable state of monoclinic structured pristine PEDOT. We determined thirteen (13) independent elastic constants with elastic compliance which enables us to establish other elastic properties of pristine PEDOT; the Pugh's ratio and the Vicker's hardness calculations show small mismatches with PBE and PBEsol-PAW pseudopotentials. The Debye temperature TD is predicted both in the PBE and PBEsol-PAW calculations while the specific heat capacity Cv(T) follows the Dulong-Petit curve having no mismatch with Debye model at low temperature, with PBE predicting a higher Debye sound velocity than...

  7. A Calculation Approach to Elastic Constants of Crystallines at High Pressure and Finite Temperature

    Institute of Scientific and Technical Information of China (English)

    向士凯; 蔡灵仓; 张林; 经福谦

    2002-01-01

    Elastic constants of Na and Li metals are calculated successfully for temperatures up to 350K and pressures up to 30 GPa using a scheme without involving any adjustable parameter. Elastic constants are assumed to depend only on an effective pair potential that is only determined by the average interatomic distance. Temperature has an effect on elastic constants by way of charging the equilibrium. The elastic constants can be obtained by fitting the relationship between total energy and strain tensor using the new set of lattice parameters obtained by calculating displacement of atoms at the finite temperature and at a fixed pressure. The relationship between the effective pair potential and the interatomic distance is fitted by using a series of data of cohesive energy corresponding to lattice parameters.

  8. First-principles study of the elastic constants and optical properties of uranium metal

    Institute of Scientific and Technical Information of China (English)

    Chen Qiu-Yun; Tan Shi-Yong; Lai Xin-Chun; Chen Jun

    2012-01-01

    We perform first-principles calculations of the lattice constants,elastic constants,and optical properties for alphaand gamma-uranium based on the ultra-soft pseudopotential method.Lattice constants and equilibrium atomic volume are consistent pretty well with the experimental results.Some difference exists between our calculated elastic constants and the experimental data.Based on the satisfactory ground state electronic structure calculations,the optical conductivity,dielectric function,refractive index,and extinction coefficients are also obtained.These calculated optical properties are compared with our results and other published experimental data.

  9. Third-order elastic constants of diamond determined from experimental data

    Science.gov (United States)

    Winey, J. M.; Hmiel, A.; Gupta, Y. M.

    2016-06-01

    The pressure derivatives of the second-order elastic constants (SOECs) of diamond were determined by analyzing previous sound velocity measurements under hydrostatic stress [McSkimin and Andreatch, J. Appl. Phys., vol. 43, 1972, pp. 2944] [4]. Our analysis corrects an error in the previously reported results. Using the corrected pressure derivatives, together with published data for the nonlinear elastic response of shock-compressed diamond [Lang and Gupta, Phys. Rev. Lett., vol. 106, 2011, pp. 125502] [3], a complete and corrected set of third-order elastic constants (TOECs) is presented that differs significantly from TOECs published previously.

  10. The modified Black-Scholes model via constant elasticity of variance for stock options valuation

    Science.gov (United States)

    Edeki, S. O.; Owoloko, E. A.; Ugbebor, O. O.

    2016-02-01

    In this paper, the classical Black-Scholes option pricing model is visited. We present a modified version of the Black-Scholes model via the application of the constant elasticity of variance model (CEVM); in this case, the volatility of the stock price is shown to be a non-constant function unlike the assumption of the classical Black-Scholes model.

  11. Formulas for the elastic constants of plates with integral waffle-like stiffening

    Science.gov (United States)

    Dow, Norris R; Libove, Charles; Hubka, Ralph E

    1954-01-01

    Formulas are derived for the fifteen elastic constants associated with bending, stretching, twisting, and shearing of plates with closely spaced integral ribbing in a variety of configurations and proportions. In the derivation the plates are considered, conceptually, as more uniform orthotropic plates somewhat on the order of plywood. The constants, which include the effectiveness of the ribs for resisting deformations other than bending and stretching in their longitudinal directions, are defined in terms of four coefficients, and theoretical and experimental methods for the evaluation of these coefficients are discussed. Four of the more important elastic constants are predicted by these formulas and are compared with test results. Good correlation is obtained. (author)

  12. Ab Initio Calculations of Elastic Constants of Li2O under Pressure

    Institute of Scientific and Technical Information of China (English)

    LI Xiao-Feng; CHEN Xiang-Rong; JI Guang-Fu; MENG Chuan-Min

    2006-01-01

    @@ We investigate the equilibrium lattice constant, bulk modulus, elastic constants and Debye temperature of Li2 O under pressure by using ab initio unrestricted Hartree-Fock (HF) linear combination of atomic orbital (LCAO) periodic approach. The obtained results at zero pressure are well consistent with the available experimental data and other theoretical results. It is found that the elastic constants C11, C12 and C44 and bulk modulus B increase monotonously as pressure increases. Also, the anisotropy will weaken and the Debye temperature will rise with pressure increasing.

  13. Nonlinear elastic response of strong solids: First-principles calculations of the third-order elastic constants of diamond

    Science.gov (United States)

    Hmiel, A.; Winey, J. M.; Gupta, Y. M.; Desjarlais, M. P.

    2016-05-01

    Accurate theoretical calculations of the nonlinear elastic response of strong solids (e.g., diamond) constitute a fundamental and important scientific need for understanding the response of such materials and for exploring the potential synthesis and design of novel solids. However, without corresponding experimental data, it is difficult to select between predictions from different theoretical methods. Recently the complete set of third-order elastic constants (TOECs) for diamond was determined experimentally, and the validity of various theoretical approaches to calculate the same may now be assessed. We report on the use of density functional theory (DFT) methods to calculate the six third-order elastic constants of diamond. Two different approaches based on homogeneous deformations were used: (1) an energy-strain fitting approach using a prescribed set of deformations, and (2) a longitudinal stress-strain fitting approach using uniaxial compressive strains along the [100], [110], and [111] directions, together with calculated pressure derivatives of the second-order elastic constants. The latter approach provides a direct comparison to the experimental results. The TOECs calculated using the energy-strain approach differ significantly from the measured TOECs. In contrast, calculations using the longitudinal stress-uniaxial strain approach show good agreement with the measured TOECs and match the experimental values significantly better than the TOECs reported in previous theoretical studies. Our results on diamond have demonstrated that, with proper analysis procedures, first-principles calculations can indeed be used to accurately calculate the TOECs of strong solids.

  14. Determination of mass density, dielectric, elastic, and piezoelectric constants of bulk GaN crystal.

    Science.gov (United States)

    Soluch, Waldemar; Brzozowski, Ernest; Lysakowska, Magdalena; Sadura, Jolanta

    2011-11-01

    Mass density, dielectric, elastic, and piezoelectric constants of bulk GaN crystal were determined. Mass density was obtained from the measured ratio of mass to volume of a cuboid. The dielectric constants were determined from the measured capacitances of an interdigital transducer (IDT) deposited on a Z-cut plate and from a parallel plate capacitor fabricated from this plate. The elastic and piezoelectric constants were determined by comparing the measured and calculated SAW velocities and electromechanical coupling coefficients on the Z- and X-cut plates. The following new constants were obtained: mass density p = 5986 kg/m(3); relative dielectric constants (at constant strain S) ε(S)(11)/ε(0) = 8.6 and ε(S)(11)/ε(0) = 10.5, where ε(0) is a dielectric constant of free space; elastic constants (at constant electric field E) C(E)(11) = 349.7, C(E)(12) = 128.1, C(E)(13) = 129.4, C(E)(33) = 430.3, and C(E)(44) = 96.5 GPa; and piezoelectric constants e(33) = 0.84, e(31) = -0.47, and e(15) = -0.41 C/m(2).

  15. Elastic properties of surfactant monolayers at liquid-liquid interfaces: A molecular dynamics study

    DEFF Research Database (Denmark)

    Laradji, Mohamed; Mouritsen, Ole G.

    2000-01-01

    Using a simple molecular model based on the Lennard-Jones potential, we systematically study the elastic properties of liquid-liquid interfaces containing surfactant molecules by means of extensive and large-scale molecular dynamics simulations. The main elastic constants of the interface, corres...

  16. Measurement of elastic constants by simultaneously sensing longitudinal and shear waves as an overlapped signal

    Energy Technology Data Exchange (ETDEWEB)

    Seo, Ho Geon; Song, Dong Gi; Jhang, Kyoung Young [Hanyang University, Seoul (Korea, Republic of)

    2016-04-15

    Measurement of elastic constants is crucial for engineering aspects of predicting the behavior of materials under load as well as structural health monitoring of material degradation. Ultrasonic velocity measurement for material properties has been broadly used as a nondestructive evaluation method for material characterization. In particular, pulse-echo method has been extensively utilized as it is not only simple but also effective when only one side of the inspected objects is accessible. However, the conventional technique in this approach measures longitudinal and shear waves individually to obtain their velocities. This produces a set of two data for each measurement. This paper proposes a simultaneous sensing system of longitudinal waves and shear waves for elastic constant measurement. The proposed system senses both these waves simultaneously as a single overlapped signal, which is then analyzed to calculate both the ultrasonic velocities for obtaining elastic constants. Therefore, this system requires just half the number of data to obtain elastic constants compared to the conventional individual measurement. The results of the proposed simultaneous measurement had smaller standard deviations than those in the individual measurement. These results validate that the proposed approach improves the efficiency and reliability of ultrasonic elastic constant measurement by reducing the complexity of the measurement system, its operating procedures, and the number of data.

  17. On the third- and fourth-order constants of incompressible isotropic elasticity.

    Science.gov (United States)

    Destrade, Michel; Ogden, Raymond W

    2010-12-01

    Consider the constitutive law for an isotropic elastic solid with the strain-energy function expanded up to the fourth order in the strain and the stress up to the third order in the strain. The stress-strain relation can then be inverted to give the strain in terms of the stress with a view to considering the incompressible limit. For this purpose, use of the logarithmic strain tensor is of particular value. It enables the limiting values of all nine fourth-order elastic constants in the incompressible limit to be evaluated precisely and rigorously. In particular, it is explained why the three constants of fourth-order incompressible elasticity μ, Ā, and D are of the same order of magnitude. Several examples of application of the results follow, including determination of the acoustoelastic coefficients in incompressible solids and the limiting values of the coefficients of nonlinearity for elastic wave propagation.

  18. Third- and fourth-order constants of incompressible soft solids and the acousto-elastic effect.

    Science.gov (United States)

    Destrade, Michel; Gilchrist, Michael D; Saccomandi, Giuseppe

    2010-05-01

    Acousto-elasticity is concerned with the propagation of small-amplitude waves in deformed solids. Results previously established for the incremental elastodynamics of exact non-linear elasticity are useful for the determination of third- and fourth-order elastic constants, especially in the case of incompressible isotropic soft solids, where the expressions are particularly simple. Specifically, it is simply a matter of expanding the expression for ρv(2), where ρ is the mass density and v the wave speed, in terms of the elongation e of a block subject to a uniaxial tension. The analysis shows that in the resulting expression: ρv(2) = a+be+ce(2), say, a depends linearly on μ; b on μ and A; and c on μ, A, and D, the respective second-, third, and fourth-order constants of incompressible elasticity, for bulk shear waves and for surface waves.

  19. Elastic Constants of Na and K from Non-parameter Perturbation Calculation

    Institute of Scientific and Technical Information of China (English)

    陈军; 经福谦; 陈栋泉; 张景琳; 段素清

    2001-01-01

    Combining a linear muffin-tin orbital method, which can be used to calculate the total energy and pressure of solids in a self-consistent manner, with a generalized elastic energy equation, a non-parameter perturbation method has been proposed to compute the elastic constant for cubic metals. The pressure dependence of the shear modulus and bulk modulus forNa and K was calculated. It was found that the computed results agree well with experiments.

  20. Some Dynamical Effects of the Cosmological Constant

    Science.gov (United States)

    Axenides, M.; Floratos, E. G.; Perivolaropoulos, L.

    Newton's law gets modified in the presence of a cosmological constant by a small repulsive term (antigravity) that is proportional to the distance. Assuming a value of the cosmological constant consistent with the recent SnIa data (Λ~=10-52 m-2), we investigate the significance of this term on various astrophysical scales. We find that on galactic scales or smaller (less than a few tens of kpc), the dynamical effects of the vacuum energy are negligible by several orders of magnitude. On scales of 1 Mpc or larger however we find that the vacuum energy can significantly affect the dynamics. For example we show that the velocity data in the local group of galaxies correspond to galactic masses increased by 35% in the presence of vacuum energy. The effect is even more important on larger low density systems like clusters of galaxies or superclusters.

  1. Elastic constants characterization on graphite at 500°C by the virtual fields method

    Directory of Open Access Journals (Sweden)

    Baoqiao Guo

    2014-01-01

    Full Text Available In this paper the elastic constants of graphite at elevated temperature were experimentally investigated by using the virtual fields method (VFM. A new method was presented for the characterization of mechanical properties at elevated temperature. The three-point bending tests were performed on graphite materials by an universal testing machine equipped with heating furnace. Based on the heterogeneous deformation fields measured by the digital image correlation (DIC technique, the elastic constants were then extracted by using VFM. The measurement results of the elastic constants at 500°C were obtained. The effect on the experimental results was also analyzed. The successful results verify the feasibility of using the proposed method to measure the properties of graphite at high temperature, and the proposed method is believed to have a good potential for further applications.

  2. Measurement of third-order elastic constants and applications to loaded structural materials.

    Science.gov (United States)

    Takahashi, Sennosuke; Motegi, Ryohei

    2015-01-01

    The objective of this study is to obtain the propagation velocity of an elastic wave in a loaded isotropic solid and to show the usefulness of the third-order elastic constant in determining properties of practical materials. As is well known, the infinitesimal elastic theory is unable to express the influence of stress on elastic wave propagating in loaded materials. To solve this problem, the authors derive an equation of motion for elastic wave in a finitely deformed state and use the Lagrangian description where the state before deformation is used as a reference, and Murnaghans finite deformation theory for the unidirectional deformed isotropic solid. Ordinary derivatives were used for the mathematical treatment and although the formulas are long the content is simple. The theory is applied to the measurement of the third-order elastic constants of common steels containing carbon of 0.22 and 0.32 wt%. Care is taken in preparing specimens to precise dimensions, in properly adhering of transducer to the surface of the specimen, and in having good temperature control during the measurements to obtain precise data. As a result, the stress at various sites in the structural materials could be estimated by measuring the elastic wave propagation times. The results obtained are graphed for illustration.

  3. Elastic Constants and Its Pressure Derivative of Boron Phosphide Using Higher-Order Perturbation Theory

    Directory of Open Access Journals (Sweden)

    A.R. Jivani

    2011-01-01

    Full Text Available The elastic constants, pressure derivative of bulk modulus and pressure derivative of elastic constants are investigated using the higher-order perturbation theory based on pseudopotential formalism and the application of our proposed model potential for Boron Phosphide. The parameter of the potential is derived using zero-pressure equilibrium condition. In the present study, Hartree and Sarkar et al screening functions are used to consider exchange and correlation effect. The good agreement of presently investigated numerical data is found with the available experiment data and other such theoretical values.

  4. Dynamic Acousto-Elasticity: Pressure and Frequency Dependences in Berea Sandstone.

    Science.gov (United States)

    Riviere, J. V.; Pimienta, L.; Latour, S.; Fortin, J.; Schubnel, A.; Johnson, P. A.

    2014-12-01

    Nonlinear elasticity is studied at the laboratory scale with the goal of understanding observations at earth scales, for instance during strong ground motion, tidal forcing and earthquake slip processes. Here we report frequency and pressure dependences on elasticity when applying dynamic acousto-elasticity (DAE) of rock samples, analogous to quasi-static acousto-elasticity. DAE allows one to obtain the elastic behavior over the entire dynamic cycle, detailing the full nonlinear behavior under tension and compression, including hysteresis and memory effects. We perform DAE on a sample of Berea sandstone subject to 0.5MPa uniaxial load, with sinusoidal oscillating strain amplitudes ranging from 10-6 to 10-5 and at frequencies from 0.1 to 260Hz. In addition, the confining pressure is increased stepwise from 0 to 30MPa. We compare results to previous measurements made at lower (mHz) and higher (kHz) frequencies. Nonlinear elastic parameters corresponding to conditioning effects, third order elastic constants and fourth order elastic constants are quantitatively compared over the pressure and frequency ranges. We observe that the decrease in modulus due to conditioning increases with frequency, suggesting a frequency and/or strain-rate dependence that should be included in nonlinear elastic models of rocks. In agreement with previous measurements, nonlinear elastic effects also decrease with confining pressure, suggesting that nonlinear elastic sources such as micro-cracks, soft bonds and dislocations are turned off as the pressure increases.

  5. Dynamic Soft Elasticity in Monodomain Nematic Elastomers

    OpenAIRE

    Hotta, A; Terentjev, E. M.

    2002-01-01

    We study the linear dynamic mechanical response of monodomain nematic liquid crystalline elastomers under shear in the geometry that allows the director rotation. The aspects of time-temperature superposition are discussed at some length and Master Curves are obtained between the glassy state and the nematic transition temperature Tni. However, the time-temperature superposition did not work through the clearing point Tni, due to change from the ``soft-elasticity'' nematic regime to the ordin...

  6. Non-contact ultrasonic spectroscopy measurement of elastic constants and ultrasonic attenuation

    Energy Technology Data Exchange (ETDEWEB)

    Schwarz, R.B.; Kuokkala, V.T.; Srinivasan, S.; Visscher, W.M.

    1991-01-01

    We have developed an ultrasonic spectroscopy method for measuring the elastic constants of solids in hostile environments and over a broad temperature regime. The sample is cut as a rectangular parallelepiped, approximately 1 mm{sup 3} in volume. One or two of the sample surfaces are coated with a thin film of a magnetostrictive material such as nickel. The sample is placed coaxially with two solenoids. One solenoid is used to generate an AC magnetic field of small amplitude which stretches the films. By sweeping the frequency of this field, the sample is excited successively into its various mechanical resonance modes. The second solenoid detects the mechanical resonances. The elastic constants are then deduced from the spectrum of mechanical resonances measured at constant temperature. The internal friction is deduced from the width of the resonance peaks. Because the technique is strictly non-contact (the sample may be encapsulated in a fused silica tube), it is deal for measuring elastic constants in hostile environments or under controlled atmospheres. In its present version the system allows us to measure the elastic constants and ultrasonic attenuation of a given sample between 80 and 100 K. The operation of the system is exemplified by measurements on amorphous Ni{sub 80}P{sub 20} and crystalline Ti{sub 60}Cr{sub 40}. 17 refs., 6 figs.

  7. Linear combinations of the third-order elastic and piezoelectric constants of quartz.

    Science.gov (United States)

    Hruska, C K

    1990-01-01

    The DC-field-induced change in the resonant frequency of the extentional mode of quartz rods is related to the third-order elastic and the third-order piezoelectric constants. Five linear combinations of these constants are determined by least-squares fit to data obtained from 50 different rods. The results are notable for their small standard errors of about two percent on average. They also agree very well with the values obtained independently by the transit-time method.

  8. Econometric estimation of the “Constant Elasticity of Substitution" function in R

    DEFF Research Database (Denmark)

    Henningsen, Arne; Henningsen, Geraldine

    The Constant Elasticity of Substitution (CES) function is popular in several areas of economics, but it is rarely used in econometric analysis because it cannot be estimated by standard linear regression techniques. We discuss several existing approaches and propose a new grid-search approach...

  9. Higher-order elastic constants and megabar pressure effects of bcc tungsten: Ab initio calculations

    Science.gov (United States)

    Vekilov, Yu. Kh.; Krasilnikov, O. M.; Lugovskoy, A. V.; Lozovik, Yu. E.

    2016-09-01

    The general method for the calculation of n th (n ≥2 ) order elastic constants of the loaded crystal is given in the framework of the nonlinear elasticity theory. For the crystals of cubic symmetry under hydrostatic compression, the two schemes of calculation of the elastic constants of second, third, and fourth order from energy-finite strain relations and stress-finite strain relations are implemented. Both techniques are applied for the calculation of elastic constants of orders from second to fourth to the bcc phase of tungsten at a 0-600 GPa pressure range. The energy and stress at the various pressures and deformations are obtained ab initio in the framework of projector augmented wave+generalized gradient approximation (PAW+GGA) method, as implemented in Vienna Ab initio Simulation Package (VASP) code. Using the obtained results, we found the pressure dependence of Grüneisen parameters for long-wave acoustic modes in this interval. The Lamé constants of second and third order were estimated for polycrystalline tungsten. The proposed method is applicable for crystals with arbitrary symmetry.

  10. Temperature variation of higher-order elastic constants of MgO

    Indian Academy of Sciences (India)

    K M Raju; R K Srivastava; Kailash

    2007-09-01

    An effort has been made for obtaining higher-order elastic constants for MgO starting from basic parameters, viz. nearest-neighbor distance and hardness parameter using Coulomb and Börn–Mayer potentials. These are calculated in a wide temperature range (100–1000 K) and compared with available theoretical and experimental results.

  11. Research on ablation process of constant elastic alloy with femtosecond laser in solution medium

    Science.gov (United States)

    Deng, Guilin; Su, Wenyi; Duan, Ji'an; Fan, Nannan; Sun, Xiaoyan; Zhou, Jianying; Wang, Cong; Yin, Kai; Dong, Xinran; Hu, Youwang

    2016-09-01

    Constant elastic alloy is widely used material with high applied performance. In order to develop the application of constant elastic alloy, laser ablation of constant elastic alloy in different ablation mediums was investigated with different femtosecond lasers. Constant elastic alloy was ablated in solution with different ethanol contents and different thicknesses of the liquid layer above the target material and for comparison, in air. Also, the effects of laser energy and laser pulses of femtosecond laser on the morphology are studied. The effects of the position of the laser focus relative to the target surface were also discussed. The experimental results indicate that larger laser-induced area and smaller depth of craters tend to be obtained in solution than in air. The laser-induced area firstly increases and then decreases, and depths of craters decrease at first and increase later with the increase in ethanol content. Furthermore, the larger were energy of laser pulses, the larger were laser-induced area and deeper craters made in all different ablation solutions.

  12. Pricing Volatility Derivatives Under the Modified Constant Elasticity of Variance Model

    OpenAIRE

    Leunglung Chan; Eckhard Platen

    2015-01-01

    This paper studies volatility derivatives such as variance and volatility swaps, options on variance in the modified constant elasticity of variance model using the benchmark approach. The analytical expressions of pricing formulas for variance swaps are presented. In addition, the numerical solutions for variance swaps, volatility swaps and options on variance are demonstrated.

  13. Elastic Multibody Dynamics A Direct Ritz Approach

    CERN Document Server

    Bremer, H

    2008-01-01

    This textbook is an introduction to and exploration of a number of core topics in the field of applied mechanics: On the basis of Lagrange's Principle, a Central Equation of Dynamics is presented which yields a unified view on existing methods. From these, the Projection Equation is selected for the derivation of the motion equations of holonomic and of non-holonomic systems. The method is applied to rigid multibody systems where the rigid body is defined such that, by relaxation of the rigidity constraints, one can directly proceed to elastic bodies. A decomposition into subsystems leads to a minimal representation and to a recursive representation, respectively, of the equations of motion. Applied to elastic multibody systems one obtains, along with the use of spatial operators, a straight-on procedure for the interconnected partial and ordinary differential equations and the corresponding boundary conditions. The spatial operators are eventually applied to a RITZ series for approximation. The resulting equ...

  14. Local Pain Dynamics during Constant Exhaustive Exercise.

    Science.gov (United States)

    Slapsinskaite, Agne; Razon, Selen; Balagué Serre, Natàlia; Hristovski, Robert; Tenenbaum, Gershon

    2015-01-01

    The purpose of this study was to delineate the topological dynamics of pain and discomfort during constant exercise performed until volitional exhaustion. Eleven physical education students were tested while cycling and running at a "hard" intensity level (e.g., corresponding to Borg's RPE (6-20) = 15). During the tests, participants reported their discomfort and pain on a body map every 15s. "Time on task" for each participant was divided into five equal non-overlapping temporal windows within which their ratings were considered for analysis. The analyses revealed that the number of body locations with perceived pain and discomfort increased throughout the five temporal windows until reaching the mean (± SE) values of 4.2 ± 0.7 and 4.1 ± 0.6 in cycling and running, respectively. The dominant locations included the quadriceps and hamstrings during cycling and quadriceps and chest during running. In conclusion, pain seemed to spread throughout the body during constant cycling and running performed up to volitional exhaustion with differences between cycling and running in the upper body but not in the lower body dynamics.

  15. Local Pain Dynamics during Constant Exhaustive Exercise.

    Directory of Open Access Journals (Sweden)

    Agne Slapsinskaite

    Full Text Available The purpose of this study was to delineate the topological dynamics of pain and discomfort during constant exercise performed until volitional exhaustion. Eleven physical education students were tested while cycling and running at a "hard" intensity level (e.g., corresponding to Borg's RPE (6-20 = 15. During the tests, participants reported their discomfort and pain on a body map every 15s. "Time on task" for each participant was divided into five equal non-overlapping temporal windows within which their ratings were considered for analysis. The analyses revealed that the number of body locations with perceived pain and discomfort increased throughout the five temporal windows until reaching the mean (± SE values of 4.2 ± 0.7 and 4.1 ± 0.6 in cycling and running, respectively. The dominant locations included the quadriceps and hamstrings during cycling and quadriceps and chest during running. In conclusion, pain seemed to spread throughout the body during constant cycling and running performed up to volitional exhaustion with differences between cycling and running in the upper body but not in the lower body dynamics.

  16. High pressure phase transition and variation of elastic constants of diluted magnetic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Varshney, Dinesh; Sharma, P.; Kaurav, N. [School of Physics, Vigyan Bhawan, Devi Ahilya University, Takshila Campus, Indore 452017 (India); Shah, S. [Department of Physics, P. M. B. Gujarati Science College, Indore-452001 (India); Singh, R.K. [M. P. Bhoj (Open) University, Shivaji Nagar, Bhopal-462016 (India)

    2004-11-01

    A theoretical study of the high-pressure phase transition and elastic behavior in diluted magnetic semiconductors Zn{sub 0.83}Mn{sub 0.17}Se, using a three-body interaction (TBI) potential caused by the electron-shell deformation of the overlapping ions is carried out. The estimated values of phase transition pressure and the vast volume discontinuity in pressure-volume (PV) phase diagram indicate the structural phase transition from zincblende (B3) to rock salt (B1). The variation of second-order elastic constants with pressure resembles that observed in some binary semiconductors. The inconsistency in the deduced value of pressure derivative of second order elastic constant with the available data is attributed to the fact that we derive expressions neglecting thermal effects and assuming the overlap repulsion significant only up to nearest neighbors. The vdW interaction is effective in obtaining the thermodynamical parameters such as Debye temperature, Gruneisen parameter, thermal expansion coefficient, compressibility as well phase stability in diluted magnetic semiconductors. It is revealed that TBI model has a promise to predict the phase transition pressure and the pressure variation of elastic constants of other semiconductors as well. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. Proposal for Ultrasonic Technique for evaluation elastic constants in UO{sub 2} pellets

    Energy Technology Data Exchange (ETDEWEB)

    Lopes, Alessandra Susanne Viana Ragone; Baroni, Douglas Brandao, E-mail: alessandra.lopes@ctmsp.mar.mil.br [Centro Tecnologico da Marinha em Sao Paulo (CTMSP), SP (Brazil); Bittencourt, Marcelo de Siqueira Queiroz, E-mail: bittenc@ien.gov.br [Instituto de Engenharia Nuclear (IN/CNEN-RJ), Rio de Janeiro, RJ (Brazil); Souza, Mauro Carlos Lopes, E-mail: mauroclsouza@hotmail.com [Universidade do Estado do Rio de Janeiro (UERJ), Rio de Janeiro, RJ (Brazil)

    2015-07-01

    Pellets of uranium dioxide are used as fuel in nuclear power reactors, in which are exposed to high thermal gradients. This high energy will initiate fusion in the central part of the pellet. The expansion of the uranium dioxide pellets, resulting from fission products, can cause fissures or cracks, therefore, the study of their behavior is important. This work aims to develop and propose an ultrasonic technique to evaluate the elastic constants of UO{sub 2} pellets. However, because of the difficulties in handling nuclear material, we proposed an initial study of alumina specimens. Alumina pellets are also ceramic material and their porosity and dimensions are in the similar range of dioxide uranium pellets. They also are used as thermal insulation in the fuel rods, operating under the same conditions. They were fabricated and used in two different sets of 10 alumina pellets with densities of 92% and 96%. The developed ultrasonic technique evaluates the traveling time of ultrasonic waves, longitudinal and transverse, and correlates the observed time and the elastic constants of the materials. Equations relating the speed of the ultrasonic wave to the elastic modulus, shear modulus and Poisson's ratio have led to these elastic constants, with graphics of correlation that showed excellent agreement with the literature available for Alumina. In view of the results and the ease of implementation of this technique, we believe that it may easily be used for dioxide uranium pellets, justifying further studies for that application. (author)

  18. Using the spring constant method to analyze arterial elasticity in type 2 diabetic patients

    Directory of Open Access Journals (Sweden)

    Wei Ching-Chuan

    2012-04-01

    Full Text Available Abstract Background This study tests the validity of a newly-proposed spring constant method to analyze arterial elasticity in type 2 diabetic patients. Methods The experimental group comprised 66 participants (36 men and 30 women ranging between 46 and 86 years of age, all with diabetes mellitus. In the experimental group, 21 participants suffered from atherosclerosis. All were subjected to the measurements of both the carotid-femoral pulse wave velocity (cfPWV and the spring constant method. The comparison (control group comprised 66 normal participants (37 men and 29 women with an age range of 40 to 80 years who did not have diabetes mellitus. All control group members were subjected to measurement by the spring constant method. Results Statistical analysis of the experimental and control groups indicated a significant negative correlation between the spring constant and the cfPWV (P r = − 0.824 and – 0.71. Multivariate analysis similarly indicated a close relationship. The Student’s t test was used to examine the difference in the spring constant parameter between the experimental and control groups. A P-value less than .05 confirmed that the difference between the 2 groups was statistically significant. In receiver operating characteristic curve (ROC, the Area Under Curve (AUC, = 0.85 indicates good discrimination. These findings imply that the spring constant method can effectively identify normal versus abnormal characteristics of elasticity in normal and diabetic participants. Conclusions This study verifies the use of the spring constant method to assess arterial elasticity, and found it to be efficient and simple to use. The spring constant method should prove useful not only for improving clinical diagnoses, but also for screening diabetic patients who display early evidence of vascular disease.

  19. First-Principles Calculation of Static Equation of State and Elastic Constants for GaSe

    Institute of Scientific and Technical Information of China (English)

    ZHANG Dong-Wen; JIN Feng-Tao; YUAN Jian-Min

    2006-01-01

    @@ The all-electron full potential augmented plane-wave plus local orbital (APW+1o) method with the local-density approximation (LDA) is used to calculate the static equation of state (EOS) and elastic constants of crystalline GaSe. After the full relaxation of atomic positions, the calculated band structure at ambient pressure is consistent with the experimental data to the extent expected to give the known limits of LDA one-electron energies. The equilibrium lattice parameters found here exhibit the usual LDA-induced contraction. However, constrained with the experimental cell volume, the interlayer separation exhibits an expansion due to the LDA underestimate of the weak interlayer bonding. The calculated values of elastic constants are in good agreement with acoustic measurements. The pressure derivatives of the lattice constants derived from the theoretical elastic constants are in very good agreement with x-ray spectra measurements. Two analytical EOSs have been determined at pressures up to 4.5 GPa. The pressure evolution of the structure indicates that the layer thickness decreasesslightly under pressure.

  20. Modelling and simulation of multi-phase effects on X-ray elasticity constants

    Energy Technology Data Exchange (ETDEWEB)

    Freour, S.; Gloaguen, D.; Guillen, R. [Laboratoire d' Applications des Materiaux a la Mecanique (L.A.M.M.), L.A.M.M.-C.R.T.T., Boulevard de L' Universite, BP 406, 44602 Saint Nazaire Cedex (France); Francois, M. [Laboratoire des Systemes Mecaniques et d' Ingenierie Simultanee (L.A.S.M.I.S.), Universite de Technologie de Troyes, 12 Rue Marie Curie, BP 2060, 10010 Troyes (France)

    2003-10-01

    This paper deals with the calculation of X-ray Elasticity Constants (XEC) of phases embedded in multi-phase polycrystals. A three scales (macroscopic, pseudo-macroscopic, mesoscopic) model based on the classical self-consistent formalism is developed in order to analyse multi-phase effects on XEC values. Simulations are performed for cubic or hexagonal crystallographic structure phases embedded in several two-phases materials. In fact, it is demonstrated that XEC vary with the macroscopic stiffness of the whole polycrystal. In consequence, the constants of one particular phase depend on the elastic behaviour and the volume fraction of all the phases constituting the material. Now, XEC play a leading role in pseudo-macroscopic stresses determination by X-Ray Diffraction (XRD) methods. In this work, a quantitative analysis of the multi-phase effects on stresses determination by XRD methods was performed. Numerical results will be compared and discussed. (Abstract Copyright [2003], Wiley Periodicals, Inc.)

  1. First-principles elastic constants and phonons of delta-Pu

    DEFF Research Database (Denmark)

    Söderlind, P.; Landa, A.; Sadigh, B.

    2004-01-01

    Elastic constants and zone-boundary phonons of delta-plutonium have been calculated within the density-functional theory. The paramagnetic state of delta-Pu is modeled by disordered magnetism utilizing either the disordered local moment or the special quasirandom structure techniques. The anomalo......Elastic constants and zone-boundary phonons of delta-plutonium have been calculated within the density-functional theory. The paramagnetic state of delta-Pu is modeled by disordered magnetism utilizing either the disordered local moment or the special quasirandom structure techniques....... The anomalously soft C-' as well as a large anisotropy ratio (C-44/C-') of delta-Pu is reproduced by this theoretical model. Also the recently measured phonons for delta-Pu compare relatively well with their theoretical counterpart at the zone boundaries....

  2. The temperature dependence of second and higher order elastic constants of NH4Cl

    Science.gov (United States)

    Tiwari, Alpana; Gaur, N. K.

    2016-05-01

    We have incorporated the translational rotational (TR) coupling effects in the framework of three body force shell model (TSM) to develop an extended TSM (ETSM). This ETSM has been applied to reveal the second order elastic constants (C11, C12 and C44) of NH4Cl as a function of temperature for temperature range 240K≤T≤440K. An abrupt decrease in C44 is observed due to disorder present in the crystal as a result of random orientations of tetrahedral ammonium molecule. Our calculated results show similar trend as revealed by experimental data. Besides third order elastic constants have also been studied and discussed as a function of temperature for 240K≤T≤440K.

  3. Pressure dependent elastic constants of alpha and gamma cyclotrimethylene trinitramine: A quantum mechanical study

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, DeCarlos E., E-mail: decarlos.e.taylor.civ@mail.mil [U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005 (United States)

    2014-08-07

    The elastic constants of the α and γ polymorphs of cyclotrimethylene trinitramine (RDX) have been computed using dispersion corrected density functional theory (DFT). The DFT results validate the values obtained in several experiments using ultrasonic and impulsive stimulated thermal scattering techniques and disagree with those obtained using Brillouin scattering which, in general, exceed the other experimental and theoretical results. Compressibility diagrams at zero pressure are presented for the ab, ac, and bc crystallographic planes, and the anisotropic linear compressibility within the ac plane of α-RDX at 0 GPa, observed using ultrasonic and impulsive stimulated thermal scattering measurements, is verified using DFT. The pressure dependence of the elastic constants of α-RDX (0–4 GPa) and γ-RDX (4–8 GPa) is also presented.

  4. CONSTANT ELASTICITY OF VARIANCE MODEL AND ANALYTICAL STRATEGIES FOR ANNUITY CONTRACTS

    Institute of Scientific and Technical Information of China (English)

    XIAO Jian-wu; YIN Shao-hua; QIN Cheng-lin

    2006-01-01

    The constant elasticity of variance(CEV) model was constructed to study a defined contribution pension plan where benefits were paid by annuity. It also presents the process that the Legendre transform and dual theory can be applied to find an optimal investment policy during a participant's whole life in the pension plan. Finally, two explicit solutions to exponential utility function in the two different periods (before and after retirement) are revealed. Hence, the optimal investment strategies in the two periods are obtained.

  5. First-Principles Calculations of Elastic Constants of Superconducting MgB2

    Institute of Scientific and Technical Information of China (English)

    GUO Hua-Zhong; CHEN Xiang-Rong; ZHU Jun; CAI Ling-Cang; GAO Jie

    2005-01-01

    @@ The five independent elastic constants of superconducting MgB2 are obtained using the first-principles plane wave method with the new relativistic analytic pseudopotential of the Hartwigsen-Goedecker-Hutter (HGH) scheme in the frame of local density approximation. The dependences of bulk modulus on temperature and pressure are also obtained. It is suggested that the HGH-type pseudopotentials are successful in investigating the ground-state mechanical properties of any solids.

  6. A fluctuation method to calculate the third order elastic constants in crystalline solids

    Science.gov (United States)

    Chen, Zimu; Qu, Jianmin

    2015-05-01

    This paper derives exact expressions of the isothermal third order elastic constants (TOE) in crystalline solids in terms of the kinetic and potential energies of the system. These expressions reveal that the TOE constants consist of a Born component and a relaxation component. The Born component is simply the third derivative of the system's potential energy with respect to the deformation, while the relaxation component is related to the non-uniform rearrangements of the atoms when the system is subject to a macroscopic deformation. Further, based on the general expressions derived here, a direct (fluctuation) method of computing the isothermal TOE constants is developed. Numerical examples of using this fluctuation method are given to compute the TOE constants of single crystal iron.

  7. A constant compliance force modulation technique for scanning force microscopy (SFM) imaging of polymer surface elasticity

    Science.gov (United States)

    Stroup, E.W.; Pungor, A/

    2012-01-01

    A new method of force modulation scanning force microscopy (SFM) imaging based on a constant compliance feedback loop is presented. The feedback adjusts the loading force applied by the SFM tip to the surface in order to maintain a constant compliance beneath the tip. The new method, constant compliance force modulation (CCFM), has the advantage of being able to quantify the loading force exerted by the tip onto the sample surface and thus to estimate the elastic modulus of the material probed by the SFM tip. Once the elastic modulus of one region is known, the elastic moduli of other surface regions can be estimated from the spatial map of loading forces using the Hertz model of deformation. Force vs. displacement measurements made on one surface locality could also be used to estimate the local modulus. Several model surfaces, including a rubber-toughened epoxy polymer blend which showed clearly resolved compliant rubber phases within the harder epoxy matrix, were analyzed with the CCFM technique to illustrate the method’s application. PMID:9195751

  8. Extraction of depth profiles of third-order elastic constants in cracked media

    Science.gov (United States)

    Rjelka, Marek; Koehler, Bernd; Mayer, Andreas

    2017-02-01

    Elastic constants of components are usually determined by tensile tests in combination with ultrasonic experiments. However, these properties may change due to e.g. mechanical treatments or service conditions during their lifetime. Knowledge of the actual material parameters is key to the determination of quantities like residual stresses present in the medium. In this work the acoustic nonlinearity parameter (ANP) for surface acoustic waves is examined through the derivation of an evolution equation for the amplitude of the second harmonic. Given a certain depth profile of the third-order elastic constants, the dependence of the ANP with respect to the input frequency is determined and on the basis of these results, an appropriate inversion method is developed. This method is intended for the extraction of the depth dependence of the third-order elastic constants of the material from second-harmonic generation and guided wave mixing experiments, assuming that the change in the linear Rayleigh wave velocity is small. The latter assumption is supported by a 3D-FEM model study of a medium with randomly distributed micro-cracks as well as theoretical works on this topic in the literature.

  9. A first-principles study of cementite (Fe3C) and its alloyed counterparts: Elastic constants, elastic anisotropies, and isotropic elastic moduli

    Science.gov (United States)

    Ghosh, G.

    2015-08-01

    A comprehensive computational study of elastic properties of cementite (Fe3C) and its alloyed counterparts (M3C (M = Al, Co, Cr, Cu, Fe, Hf, Mn, Mo, Nb, Ni, Si, Ta, Ti, V, W, Zr, Cr2FeC and CrFe2C) having the crystal structure of Fe3C is carried out employing electronic density-functional theory (DFT), all-electron PAW pseudopotentials and the generalized gradient approximation for the exchange-correlation energy (GGA). Specifically, as a part of our systematic study of cohesive properties of solids and in the spirit of materials genome, following properties are calculated: (i) single-crystal elastic constants, Cij, of above M3Cs; (ii) anisotropies of bulk, Young's and shear moduli, and Poisson's ratio based on calculated Cijs, demonstrating their extreme anisotropies; (iii) isotropic (polycrystalline) elastic moduli (bulk, shear, Young's moduli and Poisson's ratio) of M3Cs by homogenization of calculated Cijs; and (iv) acoustic Debye temperature, θD, of M3Cs based on calculated Cijs. We provide a critical appraisal of available data of polycrystalline elastic properties of alloyed cementite. Calculated single crystal properties may be incorporated in anisotropic constitutive models to develop and test microstructure-processing-property-performance links in multi-phase materials where cementite is a constituent phase.

  10. A first-principles study of cementite (Fe3C and its alloyed counterparts: Elastic constants, elastic anisotropies, and isotropic elastic moduli

    Directory of Open Access Journals (Sweden)

    G. Ghosh

    2015-08-01

    Full Text Available A comprehensive computational study of elastic properties of cementite (Fe3C and its alloyed counterparts (M3C (M = Al, Co, Cr, Cu, Fe, Hf, Mn, Mo, Nb, Ni, Si, Ta, Ti, V, W, Zr, Cr2FeC and CrFe2C having the crystal structure of Fe3C is carried out employing electronic density-functional theory (DFT, all-electron PAW pseudopotentials and the generalized gradient approximation for the exchange-correlation energy (GGA. Specifically, as a part of our systematic study of cohesive properties of solids and in the spirit of materials genome, following properties are calculated: (i single-crystal elastic constants, Cij, of above M3Cs; (ii anisotropies of bulk, Young’s and shear moduli, and Poisson’s ratio based on calculated Cijs, demonstrating their extreme anisotropies; (iii isotropic (polycrystalline elastic moduli (bulk, shear, Young’s moduli and Poisson’s ratio of M3Cs by homogenization of calculated Cijs; and (iv acoustic Debye temperature, θD, of M3Cs based on calculated Cijs. We provide a critical appraisal of available data of polycrystalline elastic properties of alloyed cementite. Calculated single crystal properties may be incorporated in anisotropic constitutive models to develop and test microstructure-processing-property-performance links in multi-phase materials where cementite is a constituent phase.

  11. Estimation of Elastic Constants from Surface Acoustic Wave Velocity by Inverse Analysis using the Downhill Simplex Method

    Science.gov (United States)

    Sato, Harumichi; Nishino, Hideo; Cho, Hideo; Ogiso, Hisato; Yamanaka, Kazushi

    1998-05-01

    The measurement of surface acoustic wave (SAW) velocity is used to estimate the surface properties because the velocity depends on the elastic properties near the surface.To estimate the elastic constants, we developed a new inverse method combining the Monte Carlo method and the downhill simplex method.The initial values are determined using many random numbers, instead of an arbitrarily chosen several sets of values, in order to reduce the risk of trapping by the local pseudo minima.We confirm that the estimated elastic constants agree well with the reported elastic constants of Si and the experimental SAW velocity is quite well reproduced.We estimate the elastic constants of quartz for application purposes.

  12. Single-Crystal Elastic Constants of Yttria (Y2O3) Measured to High Temperatures

    Science.gov (United States)

    Sayir, Ali; Palko, James W.; Kriven, Waltraud M.; Sinogeikin, Sergey V.; Bass, Jay D.

    2001-01-01

    Yttria, or yttrium sesquioxide (Y2O3), has been considered for use in nuclear applications and has gained interest relatively recently for use in infrared optics. Single crystals of yttria have been grown successfully at the NASA Glenn Research Center using a laser-heated float zone technique in a fiber and rod. Such samples allow measurement of the single-crystal elastic properties, and these measurements provide useful property data for the design of components using single crystals. They also yield information as to what degree the elastic properties of yttria ceramics are a result of the intrinsic properties of the yttria crystal in comparison to characteristics that may depend on processing, such as microstructure and intergranular phases, which are common in sintered yttria. The single-crystal elastic moduli are valuable for designing such optical components. In particular, the temperature derivatives of elastic moduli allow the dimensional changes due to heating under physical constraints, as well as acoustic excitation, to be determined. The single-crystal elastic moduli of yttria were measured by Brillouin spectroscopy up to 1200 C. The room-temperature values obtained were C(sub 11) = 223.6 + 0.6 GPa, C(sub 44) = 74.6 + 0.5 GPa, and C(sub 12) = 112.4 + 1.0 GPa. The resulting bulk and (Voigt-Reuss-Hill) shear moduli were K = 149.5 + 1.0 GPa and G(sub VRH) = 66.3 + 0.8 GPa, respectively. Linear least-squares regressions to the variation of bulk and shear moduli with temperature resulted in derivatives of dK/dT = -17 + 2 MPa/C and dG(sub VRH)/dT = -8 + 2 MPa/ C. Elastic anisotropy was found to remain essentially constant over the temperature range studied.

  13. Splay-bend surface elastic constant of nematic liquid crystals: A solution of the Somoza-Tarazona paradox

    Science.gov (United States)

    Faetti, Massimo; Faetti, Sandro

    1998-06-01

    The Nehring-Saupe [J. Chem. Phys. 54, 337 (1971); 56, 5527 (1972)] elastic free energy of nematic liquid crystals (NLCs) contains the splay-bend elastic constant K13, which affects only the elastic surface free energy. Several years ago, Somoza and Tarazona [Mol. Phys. 72, 991 (1991)] showed that the value of K13 depends on the nonlocal to local mapping that is used to define the local elastic free energy. Then they concluded that the splay-bend constant is not a well-defined physical parameter. In the present paper we show that the Somoza-Tarazona result comes from an inconsistent treatment of the boundary effects. If all the boundary effects are correctly taken into account in an elastic approach, the elastic surface free energy contains an effective elastic constant Keff13 that is mapping independent. Keff13 is the sum of three different constants: the classical Nehring-Saupe bulk constant K13 and two specific interfacial constants K1 and Kh. While each surface constant (K13, K1, and Kh) depends on the kind of nonlocal to local mapping, the resulting surface constant Keff13=K13+K1+Kh is mapping independent. Using a simple molecular model of the intermolecular interactions, we obtain explicit expressions of Keff13 in terms of the characteristic parameters of the intermolecular energy. In the final part of this paper we discuss the meaning and the physical consequences of the elastic surface free energy Fs. We show that Fs is a semimacroscopic parameter that provides an approximate elastic description of the interfacial layer. Furthermore, we point out that the elastic surface free energy should not be confused with the thermodynamic surface free energy that appears in a consistent continuum theory of NLCs.

  14. Coupled spin, elastic and charge dynamics in magnetic nanostructures

    NARCIS (Netherlands)

    Kamra, A.

    2015-01-01

    In this Thesis, I address the interaction of magnetic degrees of freedom with charge current and elastic dynamics in hybrid systems composed of magnetic and non-magnetic materials. The objective, invariably, is to control and study spin dynamics using charge and elastic degrees of freedom. In certai

  15. Evaluating Bounds and Estimators for Constants of Random Polycrystals Composed of Orthotropic Elastic Materials

    Energy Technology Data Exchange (ETDEWEB)

    Berryman, J. G.

    2012-03-01

    While the well-known Voigt and Reuss (VR) bounds, and the Voigt-Reuss-Hill (VRH) elastic constant estimators for random polycrystals are all straightforwardly calculated once the elastic constants of anisotropic crystals are known, the Hashin-Shtrikman (HS) bounds and related self-consistent (SC) estimators for the same constants are, by comparison, more difficult to compute. Recent work has shown how to simplify (to some extent) these harder to compute HS bounds and SC estimators. An overview and analysis of a subsampling of these results is presented here with the main point being to show whether or not this extra work (i.e., in calculating both the HS bounds and the SC estimates) does provide added value since, in particular, the VRH estimators often do not fall within the HS bounds, while the SC estimators (for good reasons) have always been found to do so. The quantitative differences between the SC and the VRH estimators in the eight cases considered are often quite small however, being on the order of ±1%. These quantitative results hold true even though these polycrystal Voigt-Reuss-Hill estimators more typically (but not always) fall outside the Hashin-Shtrikman bounds, while the self-consistent estimators always fall inside (or on the boundaries of) these same bounds.

  16. A first-principles study of cementite (Fe{sub 3}C) and its alloyed counterparts: Elastic constants, elastic anisotropies, and isotropic elastic moduli

    Energy Technology Data Exchange (ETDEWEB)

    Ghosh, G., E-mail: g-ghosh@northwestern.edu [Department of Materials Science and Engineering, Robert R. McCormick School of Engineering and Applied Science, Northwestern University, 2220 Campus Drive, Evanston, IL 60208-3108 (United States)

    2015-08-15

    A comprehensive computational study of elastic properties of cementite (Fe{sub 3}C) and its alloyed counterparts (M{sub 3}C (M = Al, Co, Cr, Cu, Fe, Hf, Mn, Mo, Nb, Ni, Si, Ta, Ti, V, W, Zr, Cr{sub 2}FeC and CrFe{sub 2}C) having the crystal structure of Fe{sub 3}C is carried out employing electronic density-functional theory (DFT), all-electron PAW pseudopotentials and the generalized gradient approximation for the exchange-correlation energy (GGA). Specifically, as a part of our systematic study of cohesive properties of solids and in the spirit of materials genome, following properties are calculated: (i) single-crystal elastic constants, C{sub ij}, of above M{sub 3}Cs; (ii) anisotropies of bulk, Young’s and shear moduli, and Poisson’s ratio based on calculated C{sub ij}s, demonstrating their extreme anisotropies; (iii) isotropic (polycrystalline) elastic moduli (bulk, shear, Young’s moduli and Poisson’s ratio) of M{sub 3}Cs by homogenization of calculated C{sub ij}s; and (iv) acoustic Debye temperature, θ{sub D}, of M{sub 3}Cs based on calculated C{sub ij}s. We provide a critical appraisal of available data of polycrystalline elastic properties of alloyed cementite. Calculated single crystal properties may be incorporated in anisotropic constitutive models to develop and test microstructure-processing-property-performance links in multi-phase materials where cementite is a constituent phase.

  17. Ab-initio calculation of elastic constants of crystalline systems with the CRYSTAL code

    Science.gov (United States)

    Perger, W. F.; Criswell, J.; Civalleri, B.; Dovesi, R.

    2009-10-01

    An automated procedure for calculating second-order elastic constants for crystalline systems of any symmetry using the CRYSTAL program is described. Second derivatives with respect to strain are evaluated numerically from analytical gradients. The internal co-ordinates are re-optimized with each applied strain. Point group symmetry is exploited to reduce the number of needed deformations according to Laue classes. A set of test cases covering many of the crystal classes is used to document the numerical accuracy of the scheme, and to define default values of the computational parameters so as to reduce the input file to a single keyword.

  18. Ab initio calculations of third-order elastic constants and related properties for selected semiconductors

    OpenAIRE

    Lopuszynski, Michal; Majewski, Jacek A.

    2007-01-01

    We present theoretical studies for the third-order elastic constants $C_{ijk}$ in zinc-blende nitrides AlN, GaN, and InN. Our predictions for these compounds are based on detailed ab initio calculations of strain-energy and strain-stress relations in the framework of the density functional theory. To judge the computational accuracy, we compare the ab initio calculated results for $C_{ijk}$ with experimental data available for Si and GaAs. We also underline the relation of the third-order ela...

  19. Elastic constants for superplastically formed/diffusion-bonded corrugated sandwich core

    Science.gov (United States)

    Ko, W. L.

    1980-01-01

    Formulas and associated graphs for evaluating the effective elastic constants for a superplastically formed/diffusion bonded (SPF/DB) corrugated sandwich core, are presented. A comparison of structural stiffnesses of the sandwich core and a honeycomb core under conditions of equal sandwich core density was made. The stiffness in the thickness direction of the optimum SPF/DB corrugated core (that is, triangular truss core) is lower than that of the honeycomb core, and that the former has higher transverse shear stiffness than the latter.

  20. An Inverse method of elastic constants for unidirectional fiber-reinforced composite plate

    Institute of Scientific and Technical Information of China (English)

    YANG Jing; CUI Lian-jun; XU Jian; CHENG Jian-chun

    2006-01-01

    An inverse method is presented to determine the elastic constants of an experimental sample,a titanium graphite unidirectional fiber-reinforced composite plate,using wavelet transform and neural networks.Optimal algorithms of wavelet transform and neural networks are given here in order to improve the accuracy of inversion results.Coherent results were shown in both fiber direction and cross fiber direction,proving the feasibility of this method.Neither the group velocity of the Lamb wave modes are needed,as in the conventional method,and no direct least-square fitting of the experimental waveforms is necessary.

  1. Kelvin Notation for Stabilizing Elastic-Constant Inversion Notation Kelvin pour stabiliser l'inversion de constantes élastiques

    Directory of Open Access Journals (Sweden)

    Dellinger J.

    2006-12-01

    Full Text Available Inverting a set of core-sample traveltime measurements for a complete set of 21 elastic constants is a difficult problem. If the 21 elastic constants are directly used as the inversion parameters, a few bad measurements or an unfortunate starting guess may result in the inversion converging to a physically impossible solution . Even given perfect data, multiple solutions may exist that predict the observed traveltimes equally well. We desire the inversion algorithm to converge not just to a physically possible solution, but to the best(i. e. most physically likely solution of all those allowed. We present a new parameterization that attempts to solve these difficulties. The search space is limited to physically realizable media by making use of the Kelvin eigenstiffness-eigentensor representation of the 6 x 6 elastic stiffness matrix. Instead of 21 stiffnesses, there are 6 eigenstiffness parametersand 15 rotational parameters . The rotational parameters are defined using a Lie-algebra representation that avoids the artificial degeneracies and coordinate-system bias that can occur with standard polar representations. For any choice of these 21 real parameters, the corresponding stiffness matrix is guaranteed to be physically realizable. Furthermore, all physically realizable matrices can be represented in this way. This new parameterization still leaves considerable latitude as to which linear combinations of the Kelvin parameters to use, and how they should be ordered. We demonstrate that by careful choice and ordering of the parameters, the inversion can be relaxedfrom higher to lower symmetry simply by adding a few more parameters at a time. By starting from isotropy and relaxing to the general result in stages (isotropy, transverse isotropy, orthorhombic, general, we expect that the method should find the solution that is closest to isotropy of all those that fit the data. L'inversion d'un ensemble de mesures du temps de parcours d

  2. AB INITIO CALCULATIONS OF ELASTIC CONSTANTS OF BCC V-NB SYSTEM AT HIGH PRESSURES

    Energy Technology Data Exchange (ETDEWEB)

    Landa, A; Klepeis, J; Soderlind, P; Naumov, I; Velikokhatnyi, O; Vitos, L; Ruban, A

    2005-05-02

    First-principles total energy calculation based on the exact muffin-tin orbital and full potential linear muffin-tin orbital methods were used to calculate the equation of state and shear elastic constants of bcc V, Nb, and the V{sub 95}Nb{sub 05} disordered alloy as a function of pressure up to 6 Mbar. We found a mechanical instability in C{sub 44} and a corresponding softening in C at pressures {approx} 2 Mbar for V. Both shear elastic constants show softening at pressures {approx} 0.5 Mbar for Nb. Substitution of 5 at. % of V with Nb removes the instability of V with respect to trigonal distortions in the vicinity of 2 Mbar pressure, but still leaves the softening of C{sub 44} in this pressure region. We argue that the pressure induced shear instability (softening) of V (Nb) originates from the electronic system and can be explained by a combination of the Fermi surface nesting, electronic topological transition, and band Jahn-Teller effect.

  3. X-ray elastic constant determination and residual stress of two phase TiAl-based intermetallic alloy

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    To evaluate the residual stress in TiAl-based alloys by X-ray diffraction, X-ray elastic constants (REC) of a γ-TiAl alloy were determined. From these results, the stress state of a given phase in a duplex TiAl-based alloy under a uniaxial tensile loading has been characterized by X-ray diffraction. The results show that the X-ray elastic constants and the microscopic stresses of the given phase are different from the apparent elastic constants and the macroscopic stresses of the alloy. The reason of the different distribution of the alloy was also discussed.

  4. Pseudo-molecular approach for the elastic constants of nematic liquid crystals interacting via anisotropic dispersion forces

    Energy Technology Data Exchange (ETDEWEB)

    Simonário, P.S., E-mail: simonario@gmail.com [Departamento de Física, Universidade Estadual de Maringá, Avenida Colombo, 5790, 87020-900 Maringá, Paraná (Brazil); Freire, F.C.M.; Evangelista, L.R. [Departamento de Física, Universidade Estadual de Maringá, Avenida Colombo, 5790, 87020-900 Maringá, Paraná (Brazil); Teixeira-Souza, R.T. [Universidade Tecnológica Federal do Paraná – Câmpus Apucarana, Rua Marcílio Dias, 635, 86812-460 Apucarana, Paraná (Brazil)

    2014-01-17

    The bulk and the surface-like elastic constants of a nematic liquid crystal are calculated for an ensemble of particles interacting via anisotropic dispersion forces using the pseudo-molecular method. The geometrical anisotropy of the molecules is also taken into account in the calculations by choosing a molecular volume of ellipsoidal shape. Analytical expressions for the elastic constants are obtained as a function of the eccentricity in the molecular volume shape. The method allows one to explore the dependence on the molecular orientation with respect to the intermolecular vector by analyzing the magnitude and the behaviour of macroscopic elastic parameters defining the nematic phase.

  5. Evaluation of third-order elastic constants using laser-generated multi-type ultrasound for isotropic materials.

    Science.gov (United States)

    Dong, Li-Ming; Lomonosov, Alexey M; Shen, Zhong-Hua; Li, Jia; Ni, Chen-Yin; Ni, Xiao-Wu

    2013-08-01

    Within the linear elasticity approximation the speed of a small-amplitude sound in conventional linear elasticity is determined only by the second order elastic (SOE) constants and the density of the medium. Subjecting the conveying solid to a static strain of a sufficient magnitude introduces the third-order elastic (TOE) constants in the equation of the sound speed. In this work we applied a homogeneous isotropic deformation caused by a thermal expansion of an aluminum alloy sample. Velocities of three acoustic modes: longitudinal, shear and Rayleigh waves were measured as functions of temperature within a range of 25-100 °C. Two TOE constants C111 and C112 were evaluated in an assumption that the third independent module C144 is far smaller than the former two.

  6. Light scattering study of the "pseudo-layer" compression elastic constant in a twist-bend nematic liquid crystal

    CERN Document Server

    Parsouzi, Z; Welch, C; Ahmed, Z; Mehl, G H; Baldwin, A R; Gleeson, J T; Lavrentovich, O D; Allender, D W; Selinger, J V; Jakli, A; Sprunt, S

    2016-01-01

    The nematic twist-bend (TB) phase, exhibited by certain achiral thermotropic liquid crystalline (LC) dimers, features a nanometer-scale, heliconical rotation of the average molecular long axis (director) with equally probable left- and right-handed domains. On meso to macroscopic scales, the TB phase may be considered as a stack of equivalent slabs or "pseudo-layers", each one helical pitch in thickness. The long wavelength fluctuation modes should then be analogous to those of a smectic-A phase, and in particular the hydrodynamic mode combining "layer" compression and bending ought to be characterized by an effective layer compression elastic constant $B_{eff}$ and average director splay constant $K_1^{eff}$. The magnitude of $K_1^{eff}$ is expected to be similar to the splay constant of an ordinary nematic LC, but due to the absence of a true mass density wave, $B_{eff}$ could differ substantially from the typical value of $\\sim 10^6$ Pa in a conventional smectic-A. Here we report the results of a dynamic l...

  7. Viscous-elastic dynamics of power-law fluids within an elastic cylinder

    Science.gov (United States)

    Boyko, Evgeniy; Bercovici, Moran; Gat, Amir D.

    2017-07-01

    In a wide range of applications, microfluidic channels are implemented in soft substrates. In such configurations, where fluidic inertia and compressibility are negligible, the propagation of fluids in channels is governed by a balance between fluid viscosity and elasticity of the surrounding solid. The viscous-elastic interactions between elastic substrates and non-Newtonian fluids are particularly of interest due to the dependence of viscosity on the state of the system. In this work, we study the fluid-structure interaction dynamics between an incompressible non-Newtonian fluid and a slender linearly elastic cylinder under the creeping flow regime. Considering power-law fluids and applying the thin shell approximation for the elastic cylinder, we obtain a nonhomogeneous p-Laplacian equation governing the viscous-elastic dynamics. We present exact solutions for the pressure and deformation fields for various initial and boundary conditions for both shear-thinning and shear-thickening fluids. We show that in contrast to Stokes' problem where a compactly supported front is obtained for shear-thickening fluids, here the role of viscosity is inversed and such fronts are obtained for shear-thinning fluids. Furthermore, we demonstrate that for the case of a step in inlet pressure, the propagation rate of the front has a tn/n +1 dependence on time (t ), suggesting the ability to indirectly measure the power-law index (n ) of shear-thinning liquids through measurements of elastic deformation.

  8. Calculations of single crystal elastic constants for yttria partially stabilised zirconia from powder diffraction data

    Energy Technology Data Exchange (ETDEWEB)

    Lunt, A. J. G., E-mail: alexander.lunt@eng.ox.ac.uk; Xie, M. Y.; Baimpas, N.; Korsunsky, A. M. [Department of Engineering Science, University of Oxford, Parks Road, Oxford OX1 3PJ (United Kingdom); Zhang, S. Y.; Kabra, S.; Kelleher, J. [ISIS Neutron and Muon Source, Rutherford Appleton Laboratory, Harwell, Oxford OX11 0QX (United Kingdom); Neo, T. K. [Specialist Dental Group, Mount Elizabeth Orchard, 3 Mount Elizabeth, #08-03/08-08/08-10, Singapore 228510 (Singapore)

    2014-08-07

    Yttria Stabilised Zirconia (YSZ) is a tough, phase-transforming ceramic that finds use in a wide range of commercial applications from dental prostheses to thermal barrier coatings. Micromechanical modelling of phase transformation can deliver reliable predictions in terms of the influence of temperature and stress. However, models must rely on the accurate knowledge of single crystal elastic stiffness constants. Some techniques for elastic stiffness determination are well-established. The most popular of these involve exploiting frequency shifts and phase velocities of acoustic waves. However, the application of these techniques to YSZ can be problematic due to the micro-twinning observed in larger crystals. Here, we propose an alternative approach based on selective elastic strain sampling (e.g., by diffraction) of grain ensembles sharing certain orientation, and the prediction of the same quantities by polycrystalline modelling, for example, the Reuss or Voigt average. The inverse problem arises consisting of adjusting the single crystal stiffness matrix to match the polycrystal predictions to observations. In the present model-matching study, we sought to determine the single crystal stiffness matrix of tetragonal YSZ using the results of time-of-flight neutron diffraction obtained from an in situ compression experiment and Finite Element modelling of the deformation of polycrystalline tetragonal YSZ. The best match between the model predictions and observations was obtained for the optimized stiffness values of C11 = 451, C33 = 302, C44 = 39, C66 = 82, C12 = 240, and C13 = 50 (units: GPa). Considering the significant amount of scatter in the published literature data, our result appears reasonably consistent.

  9. Identification of Dynamic Parameters for Robots with Elastic Joints

    Directory of Open Access Journals (Sweden)

    Loredana Zollo

    2015-02-01

    Full Text Available This paper presents a novel method for identifying dynamic parameters of robot manipulators with elastic joints. A procedure based on the Lagrangianm formulation of the dynamic model is proposed. Each term is inspected to search for a linear relationship with the dynamic parameters, thus enabling the linearization of robot dynamic model. Hence, the torque vector is expressed as the product of a regressor matrix, suitably defined by the vector of dynamic parameters. A parametric identification based on a least-squares technique is applied to determine dynamic parameters of robots with elastic joints. The correctness of the proposed procedure has been tested in simulation on two robotic structures with elastic joints of different complexity, that is, a 2-degree-of-freedom (dof and a 6-dof manipulator, controlled with a PD control in the joint space.

  10. Non-Extensive Entropy Econometrics: New Statistical Features of Constant Elasticity of Substitution-Related Models

    Directory of Open Access Journals (Sweden)

    Second Bwanakare

    2014-05-01

    Full Text Available Power-law (PL formalism is known to provide an appropriate framework for canonical modeling of nonlinear systems. We estimated three stochastically distinct models of constant elasticity of substitution (CES class functions as non-linear inverse problem and showed that these PL related functions should have a closed form. The first model is related to an aggregator production function, the second to an aggregator utility function (the Armington and the third to an aggregator technical transformation function. A q-generalization of K-L information divergence criterion function with a priori consistency constraints is proposed. Related inferential statistical indices are computed. The approach leads to robust estimation and to new findings about the true stochastic nature of this class of nonlinear—up until now—analytically intractable functions. Outputs from traditional econometric techniques (Shannon entropy, NLLS, GMM, ML are also presented.

  11. Econometric estimation of the “Constant Elasticity of Substitution" function in R

    DEFF Research Database (Denmark)

    Henningsen, Arne; Henningsen, Geraldine

    The Constant Elasticity of Substitution (CES) function is popular in several areas of economics, but it is rarely used in econometric analysis because it cannot be estimated by standard linear regression techniques. We discuss several existing approaches and propose a new grid-search approach...... for estimating the traditional CES function with two inputs as well as nested CES functions with three and four inputs. Furthermore, we demonstrate how these approaches can be applied in R using the add-on package micEconCES and we describe how the various estimation approaches are implemented in the mic......EconCES package. Finally, we illustrate the usage of this package by replicating some estimations of CES functions that are reported in the literature....

  12. Contribution of Disclination Lines to Free Energy of Liquid Crystals in Single-Elastic Constant Approximation

    Institute of Scientific and Technical Information of China (English)

    YANGGuo-Hong; WANGYu-Sheng; DUANYi-Shi

    2004-01-01

    In the light of C-mapping method and topological current theory, the contribution of disclination lines to free energy density of liquid crystals is studied in the single-elastic constant approximation. It is pointed out that the total free energy density can be divided into two parts. One is the usual distorted energy density of director field around the disclination lines. The other is the free energy density of disclination lines themselves, which is shown to be centralized at the disclination lines and to be topologically quantized in the unit of kn/2. The topological quantum numbers are determined by the Hopf indices and Brouwer degrees of the director l~eld at the disclination lines, i.e. the disclination strengths. From the Lagrange's method of multipliers, the equilibrium equation and the molecular field ofliquid crystals are also obtained. The physical meaning of the Lagrangian multiplier is just the distorted energy density.

  13. Contribution of Disclination Lines to Free Energy of Liquid Crystals in Single-Elastic Constant Approximation

    Institute of Scientific and Technical Information of China (English)

    YANG Guo-Hong; WANG Yu-Sheng; DUAN Yi-Shi

    2004-01-01

    In the light of φ-mapping method and topological current theory, the contribution of disclination lines to free energy density of liquid crystals is studied in the single-elastic constant approximation. It is pointed out that the total free energy density can be divided into two parts. One is the usual distorted energy density of director field around the disclination lines. The other is the free energy density of disclination lines themselves, which is shown to be centralized at the disclination lines and to be topologically quantized in the unit of kπ /2. The topological quantum numbers are determined by the Hopf indices and Brouwer degrees of the director field at the disclination lines, i.e. the disclination strengths. From the Lagrange's method of multipliers, the equilibrium equation and the molecular field of liquid crystals are also obtained. The physical meaning of the Lagrangian multiplier is just the distorted energy density.

  14. A Mean-variance Problem in the Constant Elasticity of Variance (CEV) Mo del

    Institute of Scientific and Technical Information of China (English)

    Hou Ying-li; Liu Guo-xin; Jiang Chun-lan

    2015-01-01

    In this paper, we focus on a constant elasticity of variance (CEV) model and want to find its optimal strategies for a mean-variance problem under two con-strained controls: reinsurance/new business and investment (no-shorting). First, a Lagrange multiplier is introduced to simplify the mean-variance problem and the corresponding Hamilton-Jacobi-Bellman (HJB) equation is established. Via a power transformation technique and variable change method, the optimal strategies with the Lagrange multiplier are obtained. Final, based on the Lagrange duality theorem, the optimal strategies and optimal value for the original problem (i.e., the efficient strategies and efficient frontier) are derived explicitly.

  15. Crack tip field in functionally gradient material with exponential variation of elastic constants in two directions

    Institute of Scientific and Technical Information of China (English)

    Tianhu Hao

    2005-01-01

    This paper presents an exact solution of the crack tip field in functionally gradient material with exponential variation of elastic constants. The dimensionless Poisson's ratios v0 of the engineering materials (iron, glass... ) are far less than one; therefore, neglecting them, one can simplify the basic equation and the exact solution is easy to obtain.Although the exact solution for the case v0 ≠ 0 is also obtained, it is very complicated and the main result is the same with the case v0 = 0 (it will be dealt with in Appendix Ⅶ).It has been found that the exponential term exp(ax + by) in the constitutive equations becomes exp (ax/2 + by/2 - kr / 2 ) in the exact solution.

  16. Dynamic measurements of the elastic constants of glass wool

    DEFF Research Database (Denmark)

    Tarnow, Viggo

    2005-01-01

    The sound wave in the air between the fibers of glass wool exerts an oscillatory viscous drag on the fibers and excites a mechanical wave in the fiber skeleton. Accurate calculations of sound attenuation in glass wool must take the mechanical wave in the fiber skeleton into account...

  17. Nonlinear elastic behavior of rocks revealed by dynamic acousto-elastic testing

    Science.gov (United States)

    Shokouhi, Parisa; Riviere, Jacques; Guyer, Robert; Johnson, Paul

    2017-04-01

    Nonlinear elastic behavior of rocks is studied at the laboratory scale with the goal of illuminating observations at the Earth scale, for instance during strong ground motion and earthquake slip processes. A technique called Dynamic Acousto-Elastic Testing (DAET) is used to extract the nonlinear elastic response of disparate rocks (sandstone, granite and soapstone). DAET is the dynamic analogous to standard (quasi-static) acousto-elastic testing. It consists in measuring speed of sound with high-frequency low amplitude pulses (MHz range) across the sample while it is dynamically loaded with a low frequency, large amplitude resonance (kHz range). This particular configuration provides the instantaneous elastic response over a full dynamic cycle and reveals unprecedented details: instantaneous softening, tension/compression asymmetry as well as hysteretic behaviors. The strain-induced modulation of ultrasonic pulse velocities ('fast dynamics') is analyzed to extract nonlinearity parameters. A projection method is used to extract the harmonic content and a careful comparison of the fast dynamics response is made. In order to characterize the rate of elastic recovery ('slow dynamics'), we continue to monitor the ultrasonic wave velocity for about 30 minutes after the low-frequency resonance is turned off. In addition, the frequency, pressure and humidity dependences of the nonlinear parameters are reported for a subset of samples. We find that the nonlinear components can be clustered into two categories, which suggests that two main mechanisms are at play. The first one, related to the second harmonic, is likely related to the opening/closing of microstructural features such as cracks and grain/grain contacts. In contrast, the second mechanism is related to all other nonlinear parameters (transient softening, hysteresis area and higher order harmonics) and may arise from shearing mechanisms at grain interfaces.

  18. Impact of twin boundaries on bulk elastic constants: Density-functional theory data for Young׳s modulus of Ag

    Directory of Open Access Journals (Sweden)

    Tobias Klöffel

    2015-06-01

    Here, we present data of density-functional theory calculations of elastic constants and Young׳s modulus for defect-free bulk Ag as well as for bulk Ag containing dense arrays of twin boundaries. It is shown that rigorous convergence tests are required in order to be able to deduce changes in the elastic properties due to bulk defects in a reliable way.

  19. Elastic constants and thermodynamic properties of Mg2SixSn1-x from first-principles calculations

    Institute of Scientific and Technical Information of China (English)

    Liu Na-Na; Song Ren-Bo; Du Da-Wei

    2009-01-01

    This paper stuides the elastic constants and some thermodynamic properties of Mg2SixSn1-x (x = 0, 0.25, 0.5, 0.75, 1) compounds by first-principles total energy calculations using the pseudo-potential plane-waves approach based on density functional theory, within the generalized gradient approximation for the exchange and correlation potential. The elastic constants of Mg2SixSn1-x were calculated. It shows that, at 273 K, the elastic constants of Mg2Si and Mg2Sn are well consistent with previous experimental data. The isotropy decreases with increasing Sn content. The dependences of the elastic constants, the bulk modulus, the shear modulus and the Debye temperatures of Mg2Si and Mg2Si0.5Sn0.5 on pressure were discussed. Through the quasi-harmonic Debye model, in which phononic effects were considered, the specific heat capacities of Mg2SixSn1-x at constant volume and constant pressure were calculated. The calculated specific heat capacities are well consistent with the previous experimental data.

  20. Elastic Constants and Phonons of Tungsten-Nitride from First Principles

    Science.gov (United States)

    Dane, Christian; Finkenstadt, Daniel; Mehl, Michael; Curtarolo, Stefano

    2013-03-01

    Certain Tungsten Nitride (WN) crystal structures have been found to exhibit tendencies for exceptional hardness. Some researchers [S. Aydin et al., J. Mater. Res. 27, 1705 (2012)] have made the claim that these structures have hardness qualities that rival diamond. There are three specific structures with unique compositions that are of interest. By calculating the bulk and shear moduli as well as analyzing phonon dispersion plots, the properties of these structures can be compared to known structures like diamond. We used VASP density-functional methods implemented within the MedeA software package to strain each structure in a series of directions in increasing amounts. A simple linear fit of stress vs. strain found that the leading structure in terms of thermodynamic stability has elastic constants of C11 = 753 GPa, C12 = 126 GPa, and C44 = 172 GPa. These constants, while high, are significantly lower than diamond's. This indicates that previous calculations may have been mistaken in predicting the qualities of the WN system. Some of the difference between our results is due to the exchange-correlation functional chosen, namely, LDA vs. GGA.

  1. Elastic constants of the layered compounds GaS, GaSe, InSe, and their pressure dependence. 2. Theoretical part

    Energy Technology Data Exchange (ETDEWEB)

    Gatulle, M.; Fischer, M.

    1984-01-01

    The block diagonalization of the dynamical matrix of ..beta..-GaS is reported in the case of propagation perpendicular to the layers. A linear chain model that includes intralayer interactions between any atoms is introduced, the principal frequencies and the elastic constants C/sub 33/ and C/sub 44/ are calculated. Within the model, the existence of real coupling parameters is discussed, that leads to an evaluation of the intralayer forces contribution to the elastic constants. The evolution of the interlayer interactions with pressure is studied, using previously published experimental results. Finally, as far as possible, the theoretical formulas are applied to the similar structures of epsilon-GaSe and ..gamma..-InSe.

  2. Dielectric technique to measure the twist elastic constant of liquid crystals: the case of a bent-core material.

    Science.gov (United States)

    Salamon, P; Eber, N; Seltmann, J; Lehmann, M; Gleeson, J T; Sprunt, S; Jákli, A

    2012-06-01

    The effect of director pretilt on the twist magnetic Fréedericksz transition of nematics was investigated in a planar cell. The director configuration was calculated as a function of magnetic inductance. The dielectric and optical response of the nematic liquid crystal was numerically modeled. A dielectric measurement method for determining the elastic constant K_{22} is presented. The influence of the conditions for the Mauguin effect is discussed. The theoretical predictions were confirmed by our experiments. Experimental data for all elastic constants of a bent-core nematic material are presented and discussed.

  3. Quasi-elastic neutron scattering studies of protein dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Rorschach, H.E.

    1993-05-25

    Results that shed new light on the study of protein dynamics were obtained by quasi-elastic neutron scattering. The triple axis instrument H-9 supplied by the cold source was used to perform a detailed study of the quasi-elastic spectrum and the Debye-Waller factor for trypsin in powder form, in solution, and in crystals. A preliminary study of myoglobin crystals was also done. A new way to view the results of quasi-elastic scattering experiments is sketched, and the data on trypsin are presented and analyze according to this new picture.

  4. Dynamic Trajectory Generation for Serial Elastic Actuated Robots

    OpenAIRE

    Petit, Florian; Lakatos, Dominic; Friedl, Werner; Albu-Schäffer, Alin

    2012-01-01

    Robotic systems can benefit from the introduction of properly chosen joint elasticity. Besides their robustness against rigid impact, the energy saving capabilities may increase the system dynamics. In this paper, a method applicable for robots with serial elastic joints is presented, which embodies a desired oscillatory behavior into the hardware and thereby leads to improved performance. This is achieved by shaping the flexible joint robot as a linear onemode system and embodying the nat...

  5. Viscous-elastic dynamics of power-law fluids within an elastic cylinder

    Science.gov (United States)

    Gat, Amir; Boyko, Evgeniy; Bercovici, Moran

    2016-11-01

    We study the fluid-structure interaction dynamics of non-Newtonian flow through a slender linearly elastic cylinder at the creeping flow regime. Specifically, considering power-law fluids and applying the thin shell approximation for the elastic cylinder, we obtain a non-homogeneous p-Laplacian equation governing the viscous-elastic dynamics. We obtain exact solutions for the pressure and deformation fields for various initial and boundary conditions, for both shear thinning and shear thickening fluids. In particular, impulse or a step in inlet pressure yield self-similar solutions, which exhibit a compactly supported propagation front solely for shear thinning fluids. Applying asymptotic expansions, we provide approximations for weakly non-Newtonian behavior showing good agreement with the exact solutions sufficiently far from the front.

  6. Elastic constants measurement of anisotropic Olivier wood plates using air-coupled transducers generated Lamb wave and ultrasonic bulk wave.

    Science.gov (United States)

    Dahmen, Souhail; Ketata, Hassiba; Ben Ghozlen, Mohamed Hédi; Hosten, Bernard

    2010-04-01

    A hybrid elastic wave method is applied to determine the anisotropic constants of Olive wood specimen considered as an orthotropic solid. The method is based on the measurements of the Lamb wave velocities as well as the bulk ultrasonic wave velocities. Electrostatic, air-coupled, ultrasonic transducers are used to generate and receive Lamb waves which are sensitive to material properties. The variation of phase velocity with frequency is measured for several modes propagating parallel and normal to the fiber direction along a thin Olivier wood plates. A numerical model based mainly on an optimization method is developed; it permits to recover seven out of nine elastic constants with an uncertainty of about 15%. The remaining two elastic constants are then obtained from bulk wave measurements. The experimental Lamb phase velocities are in good agreement with the calculated dispersion curves. The evaluation of Olive wood elastic properties has been performed in the low frequency range where the Lamb length wave is large in comparison with the heterogeneity extent. Within the interval errors, the obtained elastic tensor doesn't reveal a large deviation from a uniaxial symmetry.

  7. NVU dynamics. III. Simulating molecules at constant potential energy

    DEFF Research Database (Denmark)

    Ingebrigtsen, Trond; Dyre, J. C.

    2012-01-01

    This is the final paper in a series that introduces geodesic molecular dynamics at constant potential energy. This dynamics is entitled NVU dynamics in analogy to standard energy-conserving Newtonian NVE dynamics. In the first two papers [T. S. Ingebrigtsen, S. Toxvaerd, O. J. Heilmann, T. B....... In this paper, the NVU algorithm for atomic systems is extended to be able to simulate the geodesic motion of molecules at constant potential energy. We derive an algorithm for simulating rigid bonds and test this algorithm on three different systems: an asymmetric dumbbell model, Lewis-Wahnström o......-terphenyl (OTP) and rigid SPC/E water. The rigid bonds introduce additional constraints beyond that of constant potential energy for atomic systems. The rigid-bond NVU algorithm conserves potential energy, bond lengths, and step length for indefinitely long runs. The quantities probed in simulations give results...

  8. Applying a Bayesian Approach to Identification of Orthotropic Elastic Constants from Full Field Displacement Measurements

    Science.gov (United States)

    Gogu, C.; Yin, W.; Haftka, R.; Ifju, P.; Molimard, J.; Le Riche, R.; Vautrin, A.

    2010-06-01

    A major challenge in the identification of material properties is handling different sources of uncertainty in the experiment and the modelling of the experiment for estimating the resulting uncertainty in the identified properties. Numerous improvements in identification methods have provided increasingly accurate estimates of various material properties. However, characterizing the uncertainty in the identified properties is still relatively crude. Different material properties obtained from a single test are not obtained with the same confidence. Typically the highest uncertainty is associated with respect to properties to which the experiment is the most insensitive. In addition, the uncertainty in different properties can be strongly correlated, so that obtaining only variance estimates may be misleading. A possible approach for handling the different sources of uncertainty and estimating the uncertainty in the identified properties is the Bayesian method. This method was introduced in the late 1970s in the context of identification [1] and has been applied since to different problems, notably identification of elastic constants from plate vibration experiments [2]-[4]. The applications of the method to these classical pointwise tests involved only a small number of measurements (typically ten natural frequencies in the previously cited vibration test) which facilitated the application of the Bayesian approach. For identifying elastic constants, full field strain or displacement measurements provide a high number of measured quantities (one measurement per image pixel) and hence a promise of smaller uncertainties in the properties. However, the high number of measurements represents also a major computational challenge in applying the Bayesian approach to full field measurements. To address this challenge we propose an approach based on the proper orthogonal decomposition (POD) of the full fields in order to drastically reduce their dimensionality. POD is

  9. Applying a Bayesian Approach to Identification of Orthotropic Elastic Constants from Full Field Displacement Measurements

    Directory of Open Access Journals (Sweden)

    Le Riche R.

    2010-06-01

    Full Text Available A major challenge in the identification of material properties is handling different sources of uncertainty in the experiment and the modelling of the experiment for estimating the resulting uncertainty in the identified properties. Numerous improvements in identification methods have provided increasingly accurate estimates of various material properties. However, characterizing the uncertainty in the identified properties is still relatively crude. Different material properties obtained from a single test are not obtained with the same confidence. Typically the highest uncertainty is associated with respect to properties to which the experiment is the most insensitive. In addition, the uncertainty in different properties can be strongly correlated, so that obtaining only variance estimates may be misleading. A possible approach for handling the different sources of uncertainty and estimating the uncertainty in the identified properties is the Bayesian method. This method was introduced in the late 1970s in the context of identification [1] and has been applied since to different problems, notably identification of elastic constants from plate vibration experiments [2]-[4]. The applications of the method to these classical pointwise tests involved only a small number of measurements (typically ten natural frequencies in the previously cited vibration test which facilitated the application of the Bayesian approach. For identifying elastic constants, full field strain or displacement measurements provide a high number of measured quantities (one measurement per image pixel and hence a promise of smaller uncertainties in the properties. However, the high number of measurements represents also a major computational challenge in applying the Bayesian approach to full field measurements. To address this challenge we propose an approach based on the proper orthogonal decomposition (POD of the full fields in order to drastically reduce their

  10. Large reduction in the magnitude and thermal variation of Frank elastic constants in a gold nanorod/nematic composite

    Science.gov (United States)

    Lakshmi Madhuri, P.; Krishna Prasad, S.; Shinde, Pravin; Prasad, B. L. V.

    2016-10-01

    We report measurements of splay and bend Frank elastic constants in a composite comprising a nematic liquid crystal doped with a small concentration of sterically stabilized gold nanorods. The composite exhibits not only a large reduction in the magnitude of the threshold voltage for switching (V th, 20%), as well as of the splay (K 11, 40%) and bend (K 33, 40%) elastic constants, but also presents an unprecedented feature: a substantial diminution in the temperature dependence of these parameters, almost to the point of becoming thermally invariant. This observation is significant because the electro-optic switching of liquid-crystal devices is largely controlled by the K 11 and K 33 elastic constants. Electrical conductivity measurements also show interesting behavior upon the inclusion of nanorods. Whereas the intrinsic Arrhenius behavior governing the temperature dependence is enhanced, the frequency dependence shows qualitative features of Jonscher’s universal model, albeit with a higher exponent. Further, photoisomerization of an azobenzene guest component provides an additional influence on the elastic constants. The results are discussed in terms of (a) the effect of the order parameter dependence seen from the viewpoint of an extended mean-field model, and (b) local order. The advantage of incorporating nanorods with photofunctionality is also pointed out.

  11. Dynamic response of cylindrical lined cavity in elastic medium

    Institute of Scientific and Technical Information of China (English)

    高盟; 王滢; 高广运

    2013-01-01

    An analytical solution to the transient dynamic response of a cylindrical lining subjected to an internal loading was presented and the dynamic interaction between the lining and surrounding soil was considered. The lining structure and the soil were treated as a cylindrical elastic shell and an infinite elastic compressible medium, respectively. A two-dimensional axisymmetric wave equation was derived from the governing equation of displacement by introducing the potential functions. Shell equation of motion was established based on continuity conditions. The closed-form solution for dynamic response of the lining due to an impact loading was obtained in Laplace transforms and inverse transforms. Detailed parametric studies were also presented to illustrate the influences of the Poisson ratio of soil, the dynamic shear moduli of both soil and lining and the thickness of lining on dynamic response of the lining.

  12. Investigations of thickness-shear mode elastic constant and damping of shunted piezoelectric materials with a coupling resonator

    Science.gov (United States)

    Hu, Ji-Ying; Li, Zhao-Hui; Sun, Yang; Li, Qi-Hu

    2016-12-01

    Shear-mode piezoelectric materials have been widely used to shunt the damping of vibrations where utilizing surface or interface shear stresses. The thick-shear mode (TSM) elastic constant and the mechanical loss factor can change correspondingly when piezoelectric materials are shunted to different electrical circuits. This phenomenon makes it possible to control the performance of a shear-mode piezoelectric damping system through designing the shunt circuit. However, due to the difficulties in directly measuring the TSM elastic constant and the mechanical loss factor of piezoelectric materials, the relationships between those parameters and the shunt circuits have rarely been investigated. In this paper, a coupling TSM electro-mechanical resonant system is proposed to indirectly measure the variations of the TSM elastic constant and the mechanical loss factor of piezoelectric materials. The main idea is to transform the variations of the TSM elastic constant and the mechanical loss factor into the changes of the easily observed resonant frequency and electrical quality factor of the coupling electro-mechanical resonator. Based on this model, the formular relationships are set up theoretically with Mason equivalent circuit method and they are validated with finite element (FE) analyses. Finally, a prototype of the coupling electro-mechanical resonator is fabricated with two shear-mode PZT5A plates to investigate the TSM elastic constants and the mechanical loss factors of different circuit-shunted cases of the piezoelectric plate. Both the resonant frequency shifts and the bandwidth changes observed in experiments are in good consistence with the theoretical and FE analyses under the same shunt conditions. The proposed coupling resonator and the obtained relationships are validated with but not limited to PZT5A. Project supported by the National Defense Foundation of China (Grant No. 9149A12050414JW02180).

  13. ELASTIC WAVE SCATTERING AND DYNAMIC STRESS IN COMPOSITE WITH FIBER

    Institute of Scientific and Technical Information of China (English)

    胡超; 李凤明; 黄文虎

    2003-01-01

    Based on the theory of elastic dynamics, multiple scattering of elastic waves and dynamic stress concentrations in fiber-reinforced composite were studied. The analyticalexpressions of elastic waves in different region were presented and an analytic method tosolve this problem was established. The mode coefficients of elastic waves were determinedin accordance with the continuous conditiors of displacement and stress on the boundary ofthe multi-interfaces. By making use of the addition theorem of Hankel functions, theformulations of scattered wave fields in different local coordinates were transformed intothose in one local coordinate to determine the unknown coefficients and dynamic stressconcentration factors. The influence of distance between two inclusions, material propertiesand structural size on the dynamic stress concentration factors near the interfaces wasanalyzed. It indicates in the analysis that distance between two inclusions, materialproperties and structural size has great influence on the dynamic properties of fiber-reinforced composite near the interfaces. As examples, the numerical results of dynamicstress concentration factors near the interfaces in a fiber- reinforced composite are presentedand discussed.

  14. Elastic constants determined by nanoindentation for p-type thermoelectric half-Heusler

    Energy Technology Data Exchange (ETDEWEB)

    Gahlawat, S.; Wheeler, L.; White, K. W., E-mail: zren@uh.edu, E-mail: kwwhite@uh.edu [Department of Mechanical Engineering, University of Houston, Houston, Texas 77204 (United States); He, R.; Chen, S.; Ren, Z. F., E-mail: zren@uh.edu, E-mail: kwwhite@uh.edu [Department of Physics and TcSUH, University of Houston, Houston, Texas 77204 (United States)

    2014-08-28

    This paper presents a study of the elastic properties of the p-type thermoelectric half-Heusler material, Hf{sub 0.44}Zr{sub 0.44}Ti{sub 0.12}CoSb{sub 0.8}Sn{sub 0.2}, using nanoindentation. Large grain-sized polycrystalline specimens were fabricated for these measurements, providing sufficient indentation targets within single grains. Electron Backscatter Diffraction methods indexed the target grains for the correlation needed for our elastic analysis of individual single crystals for this cubic thermoelectric material. Elastic properties, including the Zener ratio and the Poisson ratio, obtained from the elasticity tensor are also reported.

  15. Ab initio calculations of polarization, piezoelectric constants, and elastic constants of InAs and InP in the wurtzite phase

    Energy Technology Data Exchange (ETDEWEB)

    Hajlaoui, C., E-mail: hajlaouic@yahoo.fr; Pedesseau, L. [Université Européenne de Bretagne (France); Raouafi, F.; Ben Cheikh Larbi, F. [Université de Carthage, Laboratoire de Physico-Chimie, des Microstructures et des Microsystémes, Institut Préparatoire aux Études Scientifiques et Techniques (Tunisia); Even, J.; Jancu, J.-M. [Université Européenne de Bretagne (France)

    2015-08-15

    We report first-principle density functional calculations of the spontaneous polarization, piezoelectric stress constants, and elastic constants for the III–V wurtzite structure semiconductors InAs and InP. Using the density functional theory implemented in the VASP code, we obtain polarization values–0.011 and–0.013 C/m{sup 2}, and piezoelectric constants e{sub 33} (e{sub 31}) equal to 0.091 (–0.026) and 0.012 (–0.081) C/m{sup 2} for structurally relaxed InP and InAs respectively. These values are consistently smaller than those of nitrides. Therefore, we predict a smaller built-in electric field in such structures.

  16. Elastic Constants of Solids and Fluids with Initial Pressure via a Unified Approach Based on Equations-of-State

    Science.gov (United States)

    Cantrell, John H.

    2014-01-01

    The second and third-order Brugger elastic constants are obtained for liquids and ideal gases having an initial hydrostatic pressure p(sub 1). For liquids the second-order elastic constants are C(sub 11) = A + p(sub 1), C(sub 12) = A -- p(sub 1), and the third-order constants are C(sub 111) = --(B + 5A + 3p(sub 1)), C(sub 112) = --(B + A -- p(sub 1)), and C(sub 123) = A -- B -- p1, where A and B are the Beyer expansion coefficients in the liquid equation of state. For ideal gases the second order constants are C(sub 11) = p(sub 1)gamma + p9sub 1), C(sub 12) = p(sub 1)gamma -- p(sub 1), and the third-order constants are C(sub 111) = p(sub 1)(gamma(2) + 4gamma + 3), C(sub 112) = --p(sub 1)(gamma(2) -- 1), and C(sub 123) = --p(sub 1) (gamma(2) -- 2gamma + 1), where gamma is the ratio of specific heats. The inequality of C(sub 11) and C(sub 12) results in a nonzero shear constant C(sub 44) = (1/2)(C(sub 11) C(sub 12)) = p(sub 1) for both liquids and gases. For water at standard temperature and pressure the ratio of terms p1/A contributing to the second-order constants is approximately 4.3 x 10(-5). For atmospheric gases the ratio of corresponding terms is approximately 0.7. Analytical expressions that include initial stresses are derived for the material 'nonlinearity parameters' associated with harmonic generation and acoustoelasticity for fluids and solids of arbitrary crystal symmetry. The expressions are used to validate the relationships for the elastic constants of fluids.

  17. Elastic constants of solids and fluids with initial pressure via a unified approach based on equations-of-state.

    Science.gov (United States)

    Cantrell, John H

    2014-07-01

    The second and third-order Brugger elastic constants are obtained for liquids and ideal gases having an initial hydrostatic pressure p1. For liquids the second-order elastic constants are C₁₁=A+p₁, C₁₂=A-p₁, and the third-order constants are C₁₁₁=-(B+5A+3p₁), C₁₁₂=-(B+A-p₁), and C₁₂₃=A-B-p₁, where A and B are the Beyer expansion coefficients in the liquid equation of state. For ideal gases the second-order constants are C₁₁=p₁γ+p₁, C₁₂=p₁γ-p₁, and the third-order constants are C₁₁₁=-p₁(γ(2)+4γ+3), C₁₁₂=-p₁(γ(2)-1), and C₁₂₃=-p₁ (γ(2)-2γ+1), where γ is the ratio of specific heats. The inequality of C₁₁ and C₁₂ results in a nonzero shear constant C₄₄=(1/2)(C₁₁-C₁₂)=p₁ for both liquids and gases. For water at standard temperature and pressure the ratio of terms p₁/A contributing to the second-order constants is approximately 4.3×10(-5). For atmospheric gases the ratio of corresponding terms is approximately 0.7. Analytical expressions that include initial stresses are derived for the material 'nonlinearity parameters' associated with harmonic generation and acoustoelasticity for fluids and solids of arbitrary crystal symmetry. The expressions are used to validate the relationships for the elastic constants of fluids.

  18. Effect of Microstructure Constraints on the Homogenized Elastic Constants of Elastomeric Sylgard/GMB Syntactic Foam.

    Energy Technology Data Exchange (ETDEWEB)

    Brown, Judith Alice [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Steck, Daniel [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Brown, Judith Alice [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Long, Kevin Nicholas [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-08-01

    Previous numerical studies of Sylgard filled with glass microballoons (GMB) have relied on various microstructure idealizations to achieve a large range of volume fractions with high mesh quality. This study investigates how different microstructure idealizations and constraints affect the apparent homogenized elastic constants in the virgin state of the material, in which all GMBs are intact and perfectly bonded to the Sylgard matrix, and in the fully damaged state of the material in which all GMBs are destroyed. In the latter state, the material behaves as an elastomeric foam. Four microstructure idealizations are considered relating to how GMBs are packed into a representative volume element (RVE): (1) no boundary penetration nor GMB-GMB overlap, (2) GMB-GMB overlap, (3) boundary penetration, and (4) boundary penetration and GMB-GMB overlap. First order computational homogenization with kinematically uniform displacement boundary conditions (KUBCs) was employed to determine the homogenized (apparent) bulk and shear moduli for the four microstructure idealizations in the intact and fully broken GMB material states. It was found that boundary penetration has a significant effect on the shear modulus for microstructures with intact GMBs, but that neither boundary penetration nor GMB overlap have a significant effect on homogenized properties for microstructures with fully broken GMBs. The primary conclusion of the study is that future investigations into Sylgard/GMB micromechanics should either force GMBs to stay within the RVE fully and/or use periodic BCs (PBCs) to eliminate the boundary penetration issues. The implementation of PBCs requires the improvement of existing tools in Sandia’s Sierra/SM code.

  19. ELASTIC DYNAMIC ANALYSIS OF MODERATELY THICK PLATE USING MESHLESS LRPIM

    Institute of Scientific and Technical Information of China (English)

    Ping Xia; Shuyao Long; Hongxue Cui

    2009-01-01

    A meshless local radial point interpolation method (LRPIM) for solving elastic dy-namic problems of moderately thick plates is presented in this paper. The discretized system equation of the plate is obtained using a locally weighted residual method. It uses a radial basis function (RBF) coupled with a polynomial basis function as a trial function, and uses the quartic spline function as a test function of the weighted residual method. The shape function has the properties of the Kronecker delta function, and no additional treatment is done to impose essen-tial boundary conditions. The Newmark method for solving the dynamic problem is adopted in computation. Effects of sizes of the quadrature sub-domain and influence domain on the dynamic properties are investigated. The numerical results show that the presented method can give quite accurate results for the elastic dynamic problem of the moderately thick plate.

  20. Efficient Option Pricing in Crisis Based on Dynamic Elasticity of Variance Model

    Directory of Open Access Journals (Sweden)

    Congyin Fan

    2016-01-01

    Full Text Available Market crashes often appear in daily trading activities and such instantaneous occurring events would affect the stock prices greatly. In an unstable market, the volatility of financial assets changes sharply, which leads to the fact that classical option pricing models with constant volatility coefficient, even stochastic volatility term, are not accurate. To overcome this problem, in this paper we put forward a dynamic elasticity of variance (DEV model by extending the classical constant elasticity of variance (CEV model. Further, the partial differential equation (PDE for the prices of European call option is derived by using risk neutral pricing principle and the numerical solution of the PDE is calculated by the Crank-Nicolson scheme. In addition, Kalman filtering method is employed to estimate the volatility term of our model. Our main finding is that the prices of European call option under our model are more accurate than those calculated by Black-Scholes model and CEV model in financial crashes.

  1. Granular contact dynamics with particle elasticity

    DEFF Research Database (Denmark)

    Krabbenhoft, K.; Huang, J.; da Silva, M. V.

    2012-01-01

    . However, in contrast to traditional molecular dynamics schemes, there are no algorithmic repercussions from operating with a large or, in the extreme case infinite, contact stiffness. Indeed, the algorithm used-a standard second-order cone programming solver-is independent of the particle scale model...

  2. Impact of twin boundaries on bulk elastic constants: Density-functional theory data for Young׳s modulus of Ag.

    Science.gov (United States)

    Klöffel, Tobias; Bitzek, Erik; Meyer, Bernd

    2015-06-01

    Experimental and theoretical studies on nanowires have reported a size-dependence of the Young׳s modulus in the axial direction, which has been attributed to the increasing influence of surface stresses with decreasing wire diameter. Internal interfaces and their associated interface stresses could lead to similar changes in the elastic properties. In Kobler et al. [1], however, we reported results from atomistic calculations which showed for Ag that twin boundaries have a negligible effect on the Young׳s modulus. Here, we present data of density-functional theory calculations of elastic constants and Young׳s modulus for defect-free bulk Ag as well as for bulk Ag containing dense arrays of twin boundaries. It is shown that rigorous convergence tests are required in order to be able to deduce changes in the elastic properties due to bulk defects in a reliable way.

  3. Multiscale approach including microfibril scale to assess elastic constants of cortical bone based on neural network computation and homogenization method

    CERN Document Server

    Barkaoui, Abdelwahed; Tarek, Merzouki; Hambli, Ridha; Ali, Mkaddem

    2014-01-01

    The complexity and heterogeneity of bone tissue require a multiscale modelling to understand its mechanical behaviour and its remodelling mechanisms. In this paper, a novel multiscale hierarchical approach including microfibril scale based on hybrid neural network computation and homogenisation equations was developed to link nanoscopic and macroscopic scales to estimate the elastic properties of human cortical bone. The multiscale model is divided into three main phases: (i) in step 0, the elastic constants of collagen-water and mineral-water composites are calculated by averaging the upper and lower Hill bounds; (ii) in step 1, the elastic properties of the collagen microfibril are computed using a trained neural network simulation. Finite element (FE) calculation is performed at nanoscopic levels to provide a database to train an in-house neural network program; (iii) in steps 2 to 10 from fibril to continuum cortical bone tissue, homogenisation equations are used to perform the computation at the higher s...

  4. Actin dynamics and the elasticity of cytoskeletal networks

    Directory of Open Access Journals (Sweden)

    2009-09-01

    Full Text Available The structural integrity of a cell depends on its cytoskeleton, which includes an actin network. This network is transient and depends upon the continual polymerization and depolymerization of actin. The degradation of an actin network, and a corresponding reduction in cell stiffness, can indicate the presence of disease. Numerical simulations will be invaluable for understanding the physics of these systems and the correlation between actin dynamics and elasticity. Here we develop a model that is capable of generating actin network structures. In particular, we develop a model of actin dynamics which considers the polymerization, depolymerization, nucleation, severing, and capping of actin filaments. The structures obtained are then fed directly into a mechanical model. This allows us to qualitatively assess the effects of changing various parameters associated with actin dynamics on the elasticity of the material.

  5. An Extension of Godunov SPH II: Application to Elastic Dynamics

    CERN Document Server

    Sugiura, Keisuke

    2016-01-01

    Godunov Smoothed Particle Hydrodynamics (Godunov SPH) method is a computational fluid dynamics method that utilizes a Riemann solver and achieves the second-order accuracy in space. In this paper, we extend the Godunov SPH method to elastic dynamics by incorporating deviatoric stress tensor that represents the stress for shear deformation or anisotropic compression. Analogously to the formulation of the original Godunov SPH method, we formulate the equation of motion, the equation of energy, and the time evolution equation of deviatoric stress tensor so that the resulting discretized system achieves the second-order accuracy in space. The standard SPH method tends to suffer from the tensile instability that results in unphysical clustering of particles especially in tension-dominated region. We find that the tensile instability can be suppressed by selecting appropriate interpolation for density distribution in the equation of motion for the Godunov SPH method even in the case of elastic dynamics. Several tes...

  6. Magnetization dynamics and spin pumping induced by standing elastic waves

    Science.gov (United States)

    Azovtsev, A. V.; Pertsev, N. A.

    2016-11-01

    The magnetization dynamics induced by standing elastic waves excited in a thin ferromagnetic film is described with the aid of micromagnetic simulations taking into account the magnetoelastic coupling between spins and lattice strains. Our calculations are based on the numerical solution of the Landau-Lifshitz-Gilbert equation comprising the damping term and the effective magnetic field with all relevant contributions. The simulations have been performed for 2-nm-thick F e81G a19 film dynamically strained by longitudinal and transverse standing waves with various frequencies, which span a wide range around the resonance frequency νres of coherent magnetization precession in unstrained F e81G a19 film. It is found that standing elastic waves give rise to complex local magnetization dynamics and spatially inhomogeneous dynamic patterns in the form of standing spin waves with the same wavelength. Remarkably, the amplitude of magnetization precession does not go to zero at nodes of these spin waves, which cannot be precisely described by simple analytical formulae. In the steady-state regime, magnetization oscillates with the frequency of the elastic wave, except in the case of longitudinal waves with frequencies well below νres, where the magnetization precesses with variable frequency strongly exceeding the wave frequency. The results obtained for the magnetization dynamics driven by elastic waves are used to calculate the spin current pumped from the dynamically strained ferromagnet into adjacent paramagnetic metal. Numerical calculations demonstrate that the transverse charge current in the paramagnetic layer, which is created by the spin current via inverse spin Hall effect, is high enough to be measured experimentally.

  7. Line Defects in the Small Elastic Constant Limit of a Three-Dimensional Landau-de Gennes Model

    Science.gov (United States)

    Canevari, Giacomo

    2016-09-01

    We consider the Landau-de Gennes variational model for nematic liquid crystals, in three-dimensional domains. More precisely, we study the asymptotic behaviour of minimizers as the elastic constant tends to zero, under the assumption that minimizers are uniformly bounded and their energy blows up as the logarithm of the elastic constant. We show that there exists a closed set S_line of finite length, such that minimizers converge to a locally harmonic map away from S_line . Moreover, S_line restricted to the interior of the domain is a locally finite union of straight line segments. We provide sufficient conditions, depending on the domain and the boundary data, under which our main results apply. We also discuss some examples.

  8. Estimation of dispersion curves by combining Effective Elastic Constants and SAFE Method: A case study in a plate under stress

    Science.gov (United States)

    Quiroga, J. E.; Mujica, L.; Villamizar, R.; Ruiz, M.; Camacho, J.

    2017-05-01

    This paper presents an approach to calculate dispersion curves for homogeneous and isotropic plates subject to stress, via Semi-Analytical Finite Element and the Effective Elastic Constants, since stresses in the waveguide modify the phase and group velocities of the lamb waves. In the proposed methodology an isotropic specimen subjected to anisotropic loading is emulated by proposing an equivalent stress-free anisotropic specimen. This approximation facilitates determining the dispersion curves by using the well-studied numerical solution for the stress-free cases. The lamb wave in anisotropic materials can be studied by means of the Effective Elastic Constants, which reduces the complexity of the numerical implementation. Finally, numerical data available in literature were used to validate the proposed methodology, where it could be demonstrated its effectiveness as approximated method.

  9. The elastic constants and anisotropy of superconducting MgCNi3 and CdCNi3 under different pressure

    KAUST Repository

    Feng, Huifang

    2013-11-23

    The second-order elastic constants (SOECs) and third-order elastic constants (TOECs) of MgCNi3 and CdCNi3 are presented by using first-principles methods combined with homogeneous deformation theory. The Voigt-Reuss-Hill (VRH) approximation are used to calculate the bulk modulus B, shear modulus G, averaged Young\\'s modulus E and Poisson\\'s ratio ν for polycrystals and these effective modulus are consistent with the experiments. The SOECs under different pressure of MgCNi3 and CdCNi3 are also obtained based on the TOECs. Furthermore, the Zener anisotropy factor, Chung-Buessem anisotropy index, and the universal anisotropy index are used to describe the anisotropy of MgCNi3 and CdCNi3. The anisotropy of Young\\'s modulus of single-crystal under different pressure is also presented. © 2013 Springer Science+Business Media New York.

  10. Determination of elastic, piezoelectric, and dielectric constants of an R: BaTiO3 single crystal by Brillouin scattering

    Institute of Scientific and Technical Information of China (English)

    He Xiao-Kang; Zeng Li-Bo; Wu Qiong-Shui; Zhang Li-Yan; Zhu Ke; Liu Yu-Long

    2012-01-01

    From the sound velocity measured using the Brillouin scattering technique,the elastic,piezoelectric,and dielectric constants of a high-quality monodomain tetragonal Rh:BaTiO3 single crystal are determined at room temperature.The elastic constants are in fairly good agreement with those of the BaTiO3 single crystal,measured previously by Brillouin scattering and the low-frequency equivalent circuit methods.However,their electromechanical properties are significantly different.Based on the sound propagation equations and these results,the directional dependence of the compressional modulus and the shear modulus of Rh:BaTiO3 in the (010) plane is investigated.Some properties of sound propagation and electromechanical coupling in the crystal are discussed.

  11. Line Defects in the Small Elastic Constant Limit of a Three-Dimensional Landau-de Gennes Model

    Science.gov (United States)

    Canevari, Giacomo

    2017-02-01

    We consider the Landau-de Gennes variational model for nematic liquid crystals, in three-dimensional domains. More precisely, we study the asymptotic behaviour of minimizers as the elastic constant tends to zero, under the assumption that minimizers are uniformly bounded and their energy blows up as the logarithm of the elastic constant. We show that there exists a closed set {S_line} of finite length, such that minimizers converge to a locally harmonic map away from {S_line}. Moreover, {S_line} restricted to the interior of the domain is a locally finite union of straight line segments. We provide sufficient conditions, depending on the domain and the boundary data, under which our main results apply. We also discuss some examples.

  12. Matched elastic constants for a perfect helical planar state and a fast switching time in chiral nematic liquid crystals.

    Science.gov (United States)

    Yu, Meina; Zhou, Xiaochen; Jiang, Jinghua; Yang, Huai; Yang, Deng-Ke

    2016-05-11

    Chiral nematic liquid crystals possess a self-assembled helical structure and exhibit unique selective reflection in visible and infrared light regions. Their optical properties can be electrically tuned. The tuning involves the unwinding and restoring of the helical structure. We carried out an experimental study on the mechanism of the restoration of the helical structure. We constructed chiral nematic liquid crystals with variable elastic constants by doping bent-dimers and studied their impact on the restoration. With matched twist and bend elastic constants, the helical structure can be restored dramatically fast from the field-induced homeotropic state. Furthermore, defects can be eliminated to produce a perfect planar state which exhibits high selective reflection.

  13. The Effects of Price Elasticity Dynamics on a Firm’s Profit

    OpenAIRE

    Ali Jazayeri; Narjes Jazayeri

    2011-01-01

    This paper studies the dynamic behavior of price elasticity and its effects on the overall profit.Although price elasticity has a significant effect on sales, its dynamics have not been examined sofar in pricing models. In this paper, a simple pricing model is suggested in which, price elasticity isconsidered dynamic. The suggested pricing model is concerned with a monopolist that its objectiveis to maximize profit by determining the optimal price. Dynamics of price elasticity is described by...

  14. Atomistic calculation of elastic constants of alpha-iron containing point defects by means of magnetic interatomic potentials

    Energy Technology Data Exchange (ETDEWEB)

    Chiesa, S. [Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland); Derlet, P.M. [Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland)], E-mail: peter.derlet@psi.ch; Dudarev, S.L. [EURATOM/UKAEA Fusion Association, Culham Science Centre, Oxfordshire OX14 3DB (United Kingdom); Van Swygenhoven, H. [Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland)

    2009-04-30

    The recently developed magnetic potential for ferromagnetic BCC Fe [S.L. Dudarev, P.M. Derlet, J. Phys. ondens. Mat. 17 (2005) 7097; P.M. Derlet, S.L. Dudarev, Prog. Mater. Sci. 52 (2007) 299] is used to investigate the change in the elastic constants of bcc {alpha}-Fe as a function of a concentration of interstitial and vacancy defects. The results are discussed in terms of experiment and current theoretical understanding.

  15. Effects of carbon and nitrogen on the elastic constants of AISI (American Iron and Steel Institute) type 304 stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    Ledbetter, H.M.; Austin, M.W.

    1985-01-01

    Nine AISI type 304 stainless steel alloys were studied at room temperature. The carbon-plus-nitrogen contents of these alloys ranged from 0.067 to 0.325 wt.% (from 0.3 to 1.3 at. %). Five elastic constants (the longitudinal modulus, Young's modulus, the shear modulus, the bulk modulus and Poisson's ratio) were determined by a pulse echo ultrasonic method.

  16. Elastic Properties of CaSiO3 Perovskite from ab initio Molecular Dynamics

    Directory of Open Access Journals (Sweden)

    Shigeaki Ono

    2013-10-01

    Full Text Available Ab initio molecular dynamics simulations were performed to investigate the elasticity of cubic CaSiO3 perovskite at high pressure and temperature. All three independent elastic constants for cubic CaSiO3 perovskite, C11, C12, and C44, were calculated from the computation of stress generated by small strains. The elastic constants were used to estimate the moduli and seismic wave velocities at the high pressure and high temperature characteristic of the Earth’s interior. The dependence of temperature for sound wave velocities decreased as the pressure increased. There was little difference between the estimated compressional sound wave velocity (VP in cubic CaSiO3 perovskite and that in the Earth’s mantle, determined by seismological data. By contrast, a significant difference between the estimated shear sound wave velocity (VS and that in the Earth’s mantle was confirmed. The elastic properties of cubic CaSiO3 perovskite cannot explain the properties of the Earth’s lower mantle, indicating that the cubic CaSiO3 perovskite phase is a minor mineral in the Earth’s lower mantle.

  17. Measurements of radiated elastic wave energy from dynamic tensile cracks

    Science.gov (United States)

    Boler, Frances M.

    1990-01-01

    The role of fracture-velocity, microstructure, and fracture-energy barriers in elastic wave radiation during a dynamic fracture was investigated in experiments in which dynamic tensile cracks of two fracture cofigurations of double cantilever beam geometry were propagating in glass samples. The first, referred to as primary fracture, consisted of fractures of intact glass specimens; the second configuration, referred to as secondary fracture, consisted of a refracture of primary fracture specimens which were rebonded with an intermittent pattern of adhesive to produce variations in fracture surface energy along the crack path. For primary fracture cases, measurable elastic waves were generated in 31 percent of the 16 fracture events observed; the condition for radiation of measurable waves appears to be a local abrupt change in the fracture path direction, such as occurs when the fracture intersects a surface flaw. For secondary fractures, 100 percent of events showed measurable elastic waves; in these fractures, the ratio of radiated elastic wave energy in the measured component to fracture surface energy was 10 times greater than for primary fracture.

  18. An extension of Godunov SPH II: Application to elastic dynamics

    Science.gov (United States)

    Sugiura, Keisuke; Inutsuka, Shu-ichiro

    2017-03-01

    Godunov Smoothed Particle Hydrodynamics (Godunov SPH) method is a computational fluid dynamics method that utilizes a Riemann solver and achieves the second-order accuracy in space. In this paper, we extend the Godunov SPH method to elastic dynamics by incorporating deviatoric stress tensor that represents the stress for shear deformation or anisotropic compression. Analogously to the formulation of the original Godunov SPH method, we formulate the equation of motion, the equation of energy, and the time evolution equation of deviatoric stress tensor so that the resulting discretized system achieves the second-order accuracy in space. The standard SPH method tends to suffer from the tensile instability that results in unphysical clustering of particles especially in tension-dominated region. We find that the tensile instability can be suppressed by selecting appropriate interpolation for density distribution in the equation of motion for the Godunov SPH method even in the case of elastic dynamics. Several test calculations for elastic dynamics are performed, and the accuracy and versatility of the present method are shown.

  19. Diffraction plane dependence of elastic constants in residual stress measurement by neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Okido, Shinobu; Hayashi, Makoto [Hitachi Ltd., Tokyo (Japan); Morii, Yukio; Minakawa, Nobuaki; Tsuchiya, Yoshinori

    1997-06-01

    In a residual stress measurement by x-ray diffraction method and a neutron diffraction method, strictly speaking, the strain measurement of various diffracted surface was conducted and it is necessary to use its elastic modulus to convert from the strain to the stress. Then, in order to establish the residual stress measuring technique using neutron diffraction, it is an aim at first to make clear a diffraction surface dependency of elastic modulus for the stress conversion in various alloys. As a result of investigations the diffraction surface dependency of elastic module on SUS304 and STS410 steels by using RESA (Neutron diffractometer for residual stress analysis) installed at JRR-3M in Tokai Establishment of JAERI, following results are obtained. The elastic modulus of each diffraction surface considering till plastic region could be confirmed to be in a region of {+-}20% of that calculated by Kroner`s model and to be useful for that used on conversion to the stress. And, error of this elastic modulus was thought to cause the transition and defect formed at inner portion of the materials due to a plastic deformation. (G.K.)

  20. Jourdain Principle of a Super-Thin Elastic Rod Dynamics

    Institute of Scientific and Technical Information of China (English)

    XUE Yun; SHANG Hui-Lin

    2009-01-01

    A super thin elastic rod is modeled with a background of DNA super coiling structure, and its dynamics is discussed based on the Jourdain variation. The cross section of the rod is taken as the object of this study and two velocity spaces about arc coordinate and the time are obtained respectively. Virtual displacements of the section on the two velocity spaces are defined and can be expressed in terms of Jourdaln variation. Jourdain principles of a super thin elastic rod dynamics on arc coordinate and the time velocity space are established,respectively, which show that there are two ways to realize the constraint conditions. If the constitutive relation of the rod is linear, the Jourdaln principle takes the Euler-Lagrange form with generalized coordinates. The Kirchhoff equation, Lagrange equation and Appell equation can be derived from the present Jourdaln principle.While the rod subjected to a surface constraint, Lagrange equation with undetermined multipliers may be derived.

  1. Spacetime Dynamics from Spin Dynamics: Cosmological Constant and Neutrino Mass

    Science.gov (United States)

    Crawford, James

    2003-04-01

    Two fundamental unresolved issues in gravitational physics are the origin of the cosmological constant (dark energy), whose existence is suggested by the observed acceleration of the universe, and the origin of the particle masses, which we now know includes the neutrinos. Since all matter particles are represented by spinor fields, it seems natural to inquire whether the gravitational interaction of the spinor fields can illuminate these issues. Therefore we consider the possibility that the spin curvature is fundamental, and show that by relaxing the Schrödinger condition (covariant constancy of the Dirac matrices) it is possible to obtain both spacetime curvature and torsion as parts of the spin curvature. We assume a scale invariant Lagrangian composed of the standard Yang-Mills Lagrangian for the spin curvature and the massless Dirac Lagrangian for the spinors. An exact vacuum cosmological solution to the associated field equations is found which exhibits exponential acceleration of the universe and gives a minimum mass for all spinors.

  2. Temperature dependences of piezoelectric, elastic and dielectric constants of L-alanine crystal

    Science.gov (United States)

    Tylczyński, Z.; Sterczyńska, A.; Wiesner, M.

    2011-09-01

    Temperature changes in the components of piezoelectric, elastic and dielectric tensors were studied in L-alanine crystals in the range 100-300 K. A jumpwise increase in the c55 component of the elastic stiffness accompanied by maxima in damping of all face-shear modes observed at 199 K in L-alanine crystal were interpreted as a result of changes in the NH3+ vibrations occurring through electron-phonon coupling. All components of the piezoelectric tensor show small anomalies in this temperature range. The components of the electromechanical coupling coefficient determined indicate that L-alanine is a weak piezoelectric.

  3. Elasticity

    CERN Document Server

    Soutas-Little, Robert William

    2010-01-01

    According to the author, elasticity may be viewed in many ways. For some, it is a dusty, classical subject . . . to others it is the paradise of mathematics."" But, he concludes, the subject of elasticity is really ""an entity itself,"" a unified subject deserving comprehensive treatment. He gives elasticity that full treatment in this valuable and instructive text. In his preface, Soutas-Little offers a brief survey of the development of the theory of elasticity, the major mathematical formulation of which was developed in the 19th century after the first concept was proposed by Robert Hooke

  4. Elastic constants of random solid solutions by SQS and CPA approaches: the case of fcc Ti-Al.

    Science.gov (United States)

    Tian, Li-Yun; Hu, Qing-Miao; Yang, Rui; Zhao, Jijun; Johansson, Börje; Vitos, Levente

    2015-08-12

    Special quasi-random structure (SQS) and coherent potential approximation (CPA) are techniques widely employed in the first-principles calculations of random alloys. Here we scrutinize these approaches by focusing on the local lattice distortion (LLD) and the crystal symmetry effects. We compare the elastic parameters obtained from SQS and CPA calculations, taking the random face-centered cubic (fcc) Ti(1-x)Al(x) (0 ≤ x ≤ 1) alloy as an example of systems with components showing different electronic structures and bonding characteristics. For the CPA and SQS calculations, we employ the Exact Muffin-Tin Orbitals (EMTO) method and the pseudopotential method as implemented in the Vienna Ab initio Simulation Package (VASP), respectively. We show that the predicted trends of the VASP-SQS and EMTO-CPA parameters against composition are in good agreement with each other. The energy associated with the LLD increases with x up to x = 0.625 ~ 0.750 and drops drastically thereafter. The influence of the LLD on the lattice constants and C12 elastic constant is negligible. C11 and C44 decrease after atomic relaxation for alloys with large LLD, however, the trends of C11 and C44 are not significantly affected. In general, the uncertainties in the elastic parameters associated with the symmetry lowering turn out to be superior to the differences between the two techniques including the effect of LLD.

  5. Bounds and self-consistent estimates for elastic constants of random polycrystals with hexagonal, trigonal, and tetragonal symmetries

    Energy Technology Data Exchange (ETDEWEB)

    Berryman, J G

    2004-09-16

    Peselnick, Meister, and Watt have developed rigorous methods for bounding elastic constants of random polycrystals based on the Hashin-Shtrikman variational principles. In particular, a fairly complex set of equations that amounts to an algorithm has been presented previously for finding the bounds on effective elastic moduli for polycrystals having hexagonal, trigonal, and tetragonal symmetries. The more analytical approach developed here, although based on the same ideas, results in a new set of compact formulas for all the cases considered. Once these formulas have been established, it is then straightforward to perform what could be considered an analytic continuation of the formulas (into the region of parameter space between the bounds) that can subsequently be used to provide self-consistent estimates for the elastic constants in all cases. These self-consistent estimates are easily shown (essentially by construction) to lie within the bounds for all the choices of crystal symmetry considered. Estimates obtained this way are quite comparable to those found by the Gubernatis and Krumhansl CPA (coherent potential approximation), but do not require any computations of scattering coefficients.

  6. Second- and Third-Order Elastic Constants of Filaments of HexTow® IM7 Carbon Fiber

    Science.gov (United States)

    Oliveira, L.; Hitchcock, D.; Behlow, H.; Podila, R.; Skove, M. J.; Serkiz, S. M.; Rao, A. M.

    2014-03-01

    Single filaments of HexTow® IM7-12K carbon fiber were subjected to tensile measurements on a device which applies a known stress σ, and measures the resulting strain ɛ, and the change in resistivity Δρ. Young's modulus E, the resistivity ρ, the piezoresistivity Δρ/ρɛ, and the nonlinearity in the stress-strain relation δ, were determined to be 264.1 ± 16.0 GPa, 1.5 ± 0.1 × 10-3 Ω cm, 1.3 ± 0.1, and -4.96 ± 0.23, respectively. The values obtained for Young's modulus and the resistivity of the fiber are in reasonable agreement with the values reported by the manufacturer. To the best of our knowledge, this is the first report of a measurement of a third-order elastic constant of a single filament of HexTow® IM7-12K. Given the high elastic strains attainable in these fibers and the negative value of δ, the usual calculation of E from a linear fit to the stress-strain data leads to an incorrect higher value of E. According to the accepted thermodynamic definition of the elastic constants, one must use the initial slope of the stress-strain curve to evaluate E. We also observed that the glue used to secure the fiber has an influence on the apparent modulus of the fiber.

  7. Brownian Dynamics of charged particles in a constant magnetic field

    CERN Document Server

    Hou, L J; Piel, A; Shukla, P K

    2009-01-01

    Numerical algorithms are proposed for simulating the Brownian dynamics of charged particles in an external magnetic field, taking into account the Brownian motion of charged particles, damping effect and the effect of magnetic field self-consistently. Performance of these algorithms is tested in terms of their accuracy and long-time stability by using a three-dimensional Brownian oscillator model with constant magnetic field. Step-by-step recipes for implementing these algorithms are given in detail. It is expected that these algorithms can be directly used to study particle dynamics in various dispersed systems in the presence of a magnetic field, including polymer solutions, colloidal suspensions and, particularly complex (dusty) plasmas. The proposed algorithms can also be used as thermostat in the usual molecular dynamics simulation in the presence of magnetic field.

  8. Experimental study and finite element analysis based on equivalent load method for laser ultrasonic measurement of elastic constants.

    Science.gov (United States)

    Zhan, Yu; Liu, Changsheng; Zhang, Fengpeng; Qiu, Zhaoguo

    2016-07-01

    The laser ultrasonic generation of Rayleigh surface wave and longitudinal wave in an elastic plate is studied by experiment and finite element method. In order to eliminate the measurement error and the time delay of the experimental system, the linear fitting method of experimental data is applied. The finite element analysis software ABAQUS is used to simulate the propagation of Rayleigh surface wave and longitudinal wave caused by laser excitation on a sheet metal sample surface. The equivalent load method is proposed and applied. The pulsed laser is equivalent to the surface load in time and space domain to meet the Gaussian profile. The relationship between the physical parameters of the laser and the load is established by the correction factor. The numerical solution is in good agreement with the experimental result. The simple and effective numerical and experimental methods for laser ultrasonic measurement of the elastic constants are demonstrated.

  9. On the isotropic elastic constants of graphite nodules in ductile cast iron: Analytical and numerical micromechanical investigations

    DEFF Research Database (Denmark)

    Andriollo, Tito; Hattel, Jesper

    2016-01-01

    particle strength. It is shown that if the nodule internal structure is considered, the traditional isotropy assumption leads to the definition of a domain of admissible values for the effective elastic constants. However, micromechanical calculations indicate that values within the domain do not provide....... In the present paper, the nodules’ elastic properties are thoroughly investigated by means of both analytical and numerical techniques. The analysis takes into account the influence of several non-linear phenomena, as local residual stresses arising during solid-state cooling, interface debonding and limited...... mesoscopic moduli in agreement with Young's modulus and Poisson's ratio recorded for common ferritic ductile iron grades. This suggests that graphite nodules may not be considered isotropic at the microscopic scale, at least from a mechanical viewpoint....

  10. Determination of elastic constants of a single-crystal topaz and their temperature dependence via sphere resonance method

    Science.gov (United States)

    Sema, Fumie; Watanabe, Tohru

    2017-10-01

    Water and halogens in ocean floor sediments transported by a descending slab might play important roles in geodynamic processes. Imaging subducted sediments through seismological observations requires a thorough understanding of elastic properties of sediment origin hydrous minerals. Topaz is a sediment origin hydrous mineral, which is formed at the depth of 250-350 km on a cold subducting slab. We determined elastic constants and their temperature derivatives of a natural single-crystal of topaz (Al1.97SiO4(F1.56, OH0.42)) at the temperature from 271.5 to 312.7 °K by using the sphere-resonance method. Elastic constants at an ambient temperature (T = 291.9 °K) are C11 = 281.21(1) GPa, C22 = 346.23(9) GPa, C33 = 294.99(9) GPa, C44 = 108.49(1) GPa, C55 = 132.47(1) GPa, C66 = 130.32(1) GPa, C12 = 121.48(3) GPa, C13 = 80.94(3) GPa and C23 = 81.77(2) GPa. Since our sample [Al2SiO4(F1.56,OH0.42)] was relatively rich in fluorine, only small differences in elastic constants can be seen between our sample and fluorine end member. Elastic constants of OH-rich topaz should be experimentally investigated to understand the influence of F-OH substitution on elasticity of topaz. All the elastic constants decrease linearly with increasing temperature. The temperature derivatives are dC11/dT = -0.014(3) GPa/°K, dC22/dT = -0.010(7) GPa/°K, dC33/dT = -0.021(5) GPa/°K, dC44/dT = -0.011(1) GPa/°K, dC55/dT = -0.016(2) GPa/°K, dC66/dT = -0.0101(2) GPa/°K, dC12/dT = -0.0041(6) GPa/°K, dC13/dT = -0.001(2) GPa/°K and dC23/dT = -0.002(1) GPa/°K. The isotropic seismic velocities in topaz are distinctly higher than those in olivine at 10 GPa and 300-1400 °K. There should be a strong velocity contrast between the overlying mantle and the thin sediment-origin layer at the depth around 300 km. A seismological technique like the receiver function technique should be applied to detect a thin layer of topaz in a cold subduction zone.

  11. Pasta Elasticity: Molecular dynamics simulations of nuclear pasta deformations

    Science.gov (United States)

    Caplan, M. E.; Horowitz, C. J.; Berry, D. K.

    2015-04-01

    Nuclear pasta is expected in the inner crust of neutron stars at densities near the nuclear saturation density. In this work, the elastic properties of pasta are calculated from large scale molecular dynamics simulations by deforming the simulation volume. Our model uses a semi-classical two-nucleon potential that reproduces nuclear saturation. We report the shear modulus and breaking strain of a variety of pasta phases for different temperatures, densities, and proton fractions. The presence of pasta in neutron stars could have significant effects on crustal oscillations and could be inferred from observations of soft-gamma repeaters. Additionally, these elastic parameters will enable us to improve estimates of the maximum size and lifetime of ``mountains'' on the crust, which could efficiently radiate gravitational waves.

  12. Dynamical response of hyper-elastic cylindrical shells under periodic load

    Institute of Scientific and Technical Information of China (English)

    REN Jiu-sheng

    2008-01-01

    Dynamical responses, such as motion and destruction of hyper-elastic cylindricai shells subject to periodic or suddenly applied constant load on the inner surface,are studied within a framework of finite elasto-dynamics. By numerical computation and dynamic qualitative analysis of the nonlinear differential equation, it is shown that there exists a certain critical value for the internal load describing motion of the inner surface of the shell. Motion of the shell is nonlinear periodic or quasi-periodic oscillation when the average load of the periodic load or the constant load is less than its critical value.However, the shell will be destroyed when the load exceeds the critical value. Solution to the static equilibrium problem is a fixed point for the dynamical response of the corresponding system under a suddenly applied constant load. The property of fixed point is related to the property of the dynamical solution and motion of the shell. The effects of thickness and load parameters on the critical value and oscillation of the shell are discussed.

  13. Cosmological perturbations of axion with a dynamical decay constant

    Science.gov (United States)

    Kobayashi, Takeshi; Takahashi, Fuminobu

    2016-08-01

    A QCD axion with a time-dependent decay constant has been known to be able to accommodate high-scale inflation without producing topological defects or too large isocurvature perturbations on CMB scales. We point out that a dynamical decay constant also has the effect of enhancing the small-scale axion isocurvature perturbations. The enhanced axion perturbations can even exceed the periodicity of the axion potential, and thus lead to the formation of axionic domain walls. Unlike the well-studied axionic walls, the walls produced from the enhanced perturbations are not bounded by cosmic strings, and thus would overclose the universe independently of the number of degenerate vacua along the axion potential.

  14. Effect of temperature and geometric parameters on elastic properties of tungsten nanowire: A molecular dynamics study

    Science.gov (United States)

    Saha, Sourav; Mojumder, Satyajit; Mahboob, Monon; Islam, M. Zahabul

    2016-07-01

    Tungsten is a promising material and has potential use as battery anode. Tungsten nanowires are gaining attention from researchers all over the world for this wide field of application. In this paper, we investigated effect of temperature and geometric parameters (diameter and aspect ratio) on elastic properties of Tungsten nanowire. Aspect ratios (length to diameter ratio) considered are 8:1, 10:1, and 12:1 while diameter of the nanowire is varied from 1-4 nm. For 2 nm diameter sample (aspect ratio 10:1), temperature is varied (10K ~ 1500K) to observe elastic behavior of Tungsten nanowire under uniaxial tensile loading. EAM potential is used for molecular dynamic simulation. We applied constant strain rate of 109 s-1 to deform the nanowire. Elastic behavior is expressed through stress vs. strain plot. We also investigated the fracture mechanism of tungsten nanowire and radial distribution function. Investigation suggests peculiar behavior of Tungsten nanowire in nano-scale with double peaks in stress vs. strain diagram. Necking before final fracture suggests that actual elastic behavior of the material is successfully captured through atomistic modeling.

  15. Comment on "Reappraisal of experimental values of third-order elastic constants of some cubic semiconductors and metals"

    OpenAIRE

    Mañosa, Lluís

    2006-01-01

    In a recent paper A. S. Johal and D. J. Dunstan [Phys. Rev. B 73, 024106 (2006)] have applied multivariate linear regression analysis to the published data of the change in ultrasonic velocity with applied stress. The aim is to obtain the best estimates for the third-order elastic constants in cubic materials. From such an analysis they conclude that uniaxial stress data on metals turns out to be nearly useless by itself. The purpose of this comment is to point out that by a proper analysis o...

  16. Derivation of the fine structure constant using fractional dynamics

    CERN Document Server

    Goldfain, E

    2003-01-01

    Both classical and quantum electrodynamics assume that random fluctuations are absent from the steady-state evolution of the underlying physical system. Our work goes beyond this approximation and accounts for the continuous exposure to stochastic fluctuations. It is known that the asymptotic limit of quantum field dynamics, dominated by large and persistent perturbations, may be described as an anomalous diffusion process. We use fractional calculus as an appropriate tool to handle this highly non-trivial regime. It is shown that the fine structure constant can be recovered from the fractional evolution equation of the density matrix under standard normalization conditions.

  17. Overall Dynamic Constitutive Relations of Micro-structured Elastic Composites

    CERN Document Server

    Nemat-Nasser, Sia

    2011-01-01

    A method for homogenization of a heterogeneous (finite or periodic) elastic composite is presented. It allows direct, consistent, and accurate evaluation of the averaged overall frequency-dependent dynamic material constitutive relations. It is shown that when the spatial variation of the field variables is restricted by a Bloch-form (Floquet-form) periodicity, then these relations together with the overall conservation and kinematical equations accurately yield the displacement or stress modeshapes and, necessarily, the dispersion relations. It also gives as a matter of course point-wise solution of the elasto-dynamic field equations, to any desired degree of accuracy. The resulting overall dynamic constitutive relations however, are general and need not be restricted by the Bloch-form periodicity. The formulation is based on micro-mechanical modeling of a representative unit cell of the composite proposed by Nemat-Nasser and coworkers; see, e.g., [1] and [2].

  18. Crystal structure and elastic constants of Dharwar cotton fibre using WAXS data

    Indian Academy of Sciences (India)

    O M Samir; R Somashekar

    2007-10-01

    Wide-angle X-ray scattering (WAXS) recordings were carried out on raw Dharwar cotton fibres available in Karnataka. Using this data and employing linked atom least squares (LALS) method, we report here the molecular and crystal structure of these cotton fibres. Employing structural data, we have computed elastic moduli tensor components of these fibres. From these investigations, it turns out that the intrinsic strains present in the fibre arise due to hydrogen bonds and not covalent bonds, which is a significant result.

  19. Modeling universal dynamics of cell spreading on elastic substrates.

    Science.gov (United States)

    Fan, Houfu; Li, Shaofan

    2015-11-01

    A three-dimensional (3D) multiscale moving contact line model is combined with a soft matter cell model to study the universal dynamics of cell spreading over elastic substrates. We have studied both the early stage and the late stage cell spreading by taking into account the actin tension effect. In this work, the cell is modeled as an active nematic droplet, and the substrate is modeled as a St. Venant Kirchhoff elastic medium. A complete 3D simulation of cell spreading has been carried out. The simulation results show that the spreading area versus spreading time at different stages obeys specific power laws, which is in good agreement with experimental data and theoretical prediction reported in the literature. Moreover, the simulation results show that the substrate elasticity may affect force dipole distribution inside the cell. The advantage of this approach is that it combines the hydrodynamics of actin retrograde flow with moving contact line model so that it can naturally include actin tension effect resulting from actin polymerization and actomyosin contraction, and thus it might be capable of simulating complex cellular scale phenomenon, such as cell spreading or even crawling.

  20. Dynamics of detonations with a constant mean flow divergence

    CERN Document Server

    Borzou, Bijan

    2016-01-01

    The present work addresses the question of whether mean field macroscopic models are suitable to describe the dynamics of real cellular detonations. This question is posed in the framework of detonations with stream-tube area divergence that is kept constant, as to generate attenuated detonations in quasi-steady state. An exponential horn geometry is used, in order to keep the source term due to geometrical divergence constant in the governing equations of mean flow, and hence permit to establish steady travelling waves with constant losses. The experiments were conducted in two mixtures 2C$_2$H$_2$+5O$_2$+21Ar, characterized by a relatively weak instability, and C$_3$H$_8$+5O$_2$, characterized by a much more unstable cellular structure. The experiments demonstrated that such quasi-steady state detonations can be realized. The experiments permitted a unique detonation speed - divergence scaling laws to be developed. Quantitative comparisons were made with steady wave predictions based on the underlying chemi...

  1. Stress-enhanced Gelation: A Dynamic Nonlinearity of Elasticity

    Science.gov (United States)

    Yao, Norman Y.; Broedersz, Chase P.; Depken, Martin; Becker, Daniel J.; Pollak, Martin R.; MacKintosh, Frederick C.; Weitz, David A.

    2013-01-01

    A hallmark of biopolymer networks is their sensitivity to stress, reflected by pronounced nonlinear elastic stiffening. Here, we demonstrate a distinct dynamical nonlinearity in biopolymer networks consisting of F-actin cross-linked by α-actinin-4. Applied stress delays the onset of relaxation and flow, markedly enhancing gelation and extending the regime of solid-like behavior to much lower frequencies. We show that this macroscopic network response can be accounted for at the single molecule level by the increased binding affinity of the cross-linker under load, characteristic of catch-bond-like behavior. PMID:23383843

  2. Overall Dynamic Properties of 3-D periodic elastic composites

    CERN Document Server

    Srivastava, Ankit

    2011-01-01

    A method for the homogenization of 3-D periodic elastic composites is presented. It allows for the evaluation of the averaged overall frequency dependent dynamic material constitutive tensors relating the averaged dynamic ?eld variable tensors of velocity, strain, stress, and linear momentum. The formulation is based on micromechanical modeling of a representative unit cell of a composite proposed by Nemat-Nasser & Hori (1993), Nemat-Nasser et. al. (1982) and Mura (1987) and is the 3-D generalization of the 1-D elastodynamic homogenization scheme presented by Nemat-Nasser & Srivastava (2011). We show that for 3-D periodic composites the overall compliance (stiffness) tensor is hermitian, irrespective of whether the corresponding unit cell is geometrically or materially symmetric.Overall mass density is shown to be a tensor and, like the overall compliance tensor, always hermitian. The average strain and linear momentum tensors are, however, coupled and the coupling tensors are shown to be each others'...

  3. Dynamic analysis on generalized linear elastic body subjected to large scale rigid rotations

    Institute of Scientific and Technical Information of China (English)

    刘占芳; 颜世军; 符志

    2013-01-01

    The dynamic analysis of a generalized linear elastic body undergoing large rigid rotations is investigated. The generalized linear elastic body is described in kine-matics through translational and rotational deformations, and a modified constitutive relation for the rotational deformation is proposed between the couple stress and the curvature tensor. Thus, the balance equations of momentum and moment are used for the motion equations of the body. The floating frame of reference formulation is applied to the elastic body that conducts rotations about a fixed axis. The motion-deformation coupled model is developed in which three types of inertia forces along with their incre-ments are elucidated. The finite element governing equations for the dynamic analysis of the elastic body under large rotations are subsequently formulated with the aid of the constrained variational principle. A penalty parameter is introduced, and the rotational angles at element nodes are treated as independent variables to meet the requirement of C1 continuity. The elastic body is discretized through the isoparametric element with 8 nodes and 48 degrees-of-freedom. As an example with an application of the motion-deformation coupled model, the dynamic analysis on a rotating cantilever with two spatial layouts relative to the rotational axis is numerically implemented. Dynamic frequencies of the rotating cantilever are presented at prescribed constant spin velocities. The maximal rigid rotational velocity is extended for ensuring the applicability of the linear model. A complete set of dynamical response of the rotating cantilever in the case of spin-up maneuver is examined, it is shown that, under the ultimate rigid rotational velocities less than the maximal rigid rotational velocity, the stress strength may exceed the material strength tolerance even though the displacement and rotational angle responses are both convergent. The influence of the cantilever layouts on their responses and

  4. Nonsingular electrovacuum solutions with dynamically generated cosmological constant

    Energy Technology Data Exchange (ETDEWEB)

    Guendelman, E.I., E-mail: guendel@bgumail.bgu.ac.il [Physics Department, Ben Gurion University of the Negev, Beer Sheva 84105 (Israel); Olmo, Gonzalo J., E-mail: gonzalo.olmo@csic.es [Departamento de Física Teórica and IFIC, Centro Mixto Universidad de Valencia – CSIC, Universidad de Valencia, Burjassot 46100, Valencia (Spain); Rubiera-Garcia, D., E-mail: drubiera@fisica.ufpb.br [Departamento de Física, Universidade Federal da Paraíba, 58051-900 João Pessoa, Paraíba (Brazil); Vasihoun, M., E-mail: maharyw@gmail.com [Physics Department, Ben Gurion University of the Negev, Beer Sheva 84105 (Israel)

    2013-11-04

    We consider static spherically symmetric configurations in a Palatini extension of General Relativity including R{sup 2} and Ricci-squared terms, which is known to replace the central singularity by a wormhole in the electrovacuum case. We modify the matter sector of the theory by adding to the usual Maxwell term a nonlinear electromagnetic extension which is known to implement a confinement mechanism in flat space. One feature of the resulting theory is that the nonlinear electric field leads to a dynamically generated cosmological constant. We show that with this matter source the solutions of the model are asymptotically de Sitter and possess a wormhole topology. We discuss in some detail the conditions that guarantee the absence of singularities and of traversable wormholes.

  5. Molecular Dynamics Simulations of Solutions at Constant Chemical Potential

    CERN Document Server

    Perego, Claudio; Parrinello, Michele

    2015-01-01

    Molecular Dynamics studies of chemical processes in solution are of great value in a wide spectrum of applications, that range from nano-technology to pharmaceutical chemistry. However, these calculations are affected by severe finite-size effects, such as the solution being depleted as the chemical process proceeds, that influence the outcome of the simulations. To overcome these limitations, one must allow the system to exchange molecules with a macroscopic reservoir, thus sampling a Grand-Canonical ensemble. Despite the fact that different remedies have been proposed, this still represents a key challenge in molecular simulations. In the present work we propose the C$\\mu$MD method, which introduces an external force that controls the environment of the chemical process of interest. This external force, drawing molecules from a finite reservoir, maintains the chemical potential constant in the region where the process takes place. We have applied the C$\\mu$MD method to the paradigmatic case of urea crystall...

  6. Microscopic partition of pressure and elastic constants in CdTe polymorphs

    Energy Technology Data Exchange (ETDEWEB)

    Ouahrani, T. [Laboratoire de Physique Théorique, Tlemcen University, 13000 Tlemcen (Algeria); École Préparatoire en Sciences et Techniques, 13000 Tlemcen (Algeria); Franco, R.; Menéndez, J.M.; Marqués, M. [MALTA Team and Departamento de Química Física y Analítica, Universidad de Oviedo, E-33006 Oviedo (Spain); Recio, J.M., E-mail: jmrecio@uniovi.es [MALTA Team and Departamento de Química Física y Analítica, Universidad de Oviedo, E-33006 Oviedo (Spain)

    2014-04-01

    Highlights: • Pressure ranges of stability of CdTe polymorphs are successfully computed. • A cubic B2 phase is predicted at pressures above 70 GPa. • Microscopic pressures are defined without resorting to energy partitions. • Cd shows a greater mechanical resistance than Te when pressure is applied. • Atomic equations of state are proposed for Cd and Te along the polymorphic sequence. - Abstract: Within the framework of density functional theory, first principles calculations were carried out to determine pressure stability ranges of zinc-blende (B3), cinnabar (Cinn), rock-salt (B1), orthorhombic (Cmcm), and cesium chloride (B2) phases of CdTe. In agreement with experimental observations, we found a B3→Cinn→B1→Cmcm pressure-induced sequence, and predict the B2 phase as a potential high pressure polymorph. The equations of state of all these polymorphs and the components of the elasticity tensor of the B3 phase at zero pressure were determined and microscopically analyzed in terms of atomic contributions. The concept of local pressure allows for quantifying differences in the role played by Cd and Te as regards the compressibility of CdTe phases, and suggests the existence of a general behavior under pressure for binary II–VI semiconductors.

  7. Core-Shell Microgels with Switchable Elasticity at Constant Interfacial Interaction.

    Science.gov (United States)

    Seuss, Maximilian; Schmolke, Willi; Drechsler, Astrid; Fery, Andreas; Seiffert, Sebastian

    2016-06-29

    Hydrogels based on poly(N-isopropylacrylamide) (pNIPAAm) exhibit a thermo-reversible volume phase transition from swollen to deswollen states. This change of the hydrogel volume is accompanied by changes of the hydrogel elastic and Young's moduli and of the hydrogel interfacial interactions. To decouple these parameters from one another, we present a class of submillimeter sized hydrogel particles that consist of a thermosensitive pNIPAAm core wrapped by a nonthermosensitive polyacrylamide (pAAm) shell, each templated by droplet-based microfluidics. When the microgel core deswells upon increase of the temperature to above 34 °C, the shell is stretched and dragged to follow this deswelling into the microgel interior, resulting in an increase of the microgel surficial Young's modulus. However, as the surface interactions of the pAAm shell are independent of temperature at around 34 °C, they do not considerably change during the pNIPAAm-core volume phase transition. This feature makes these core-shell microgels a promising platform to be used as building blocks to assemble soft materials with rationally and independently tunable mechanics.

  8. Effect of dynamic visco-elasticity on vertical and torsional vibrations of a half-space

    Indian Academy of Sciences (India)

    Prakash Chandra Pal

    2001-08-01

    By expressing the dynamic visco-elastic characteristic of a material in terms of the complex shear modulus, the vertical vibrations of a visco-elastic half-space as well as that of a mass in visco-elastic half-space are considered here. Torsional vibrations of a visco-elastic half-space is also considered. Numerical results are derived for two cases and shown graphically.

  9. Dynamical cavitation and oscillation of an anisotropic incompressible hyper-elastic sphere

    Institute of Scientific and Technical Information of China (English)

    REN JiuSheng; LI HanHai; YUAN XueGang; CHENG ChangJun

    2012-01-01

    Dynamical cavitation and oscillation of an anisotropic two-family fiber-reinforced incompressible hyper-elastic sphere subjected to a suddenly applied constant boundary dead load are examined within the framework of finite elasto-dynamics.An exact differential equation between the radius of the cavity and the applied load is obtained.The curves for the variation of the maximum radius of the cavity with the load and the phase diagrams are obtained by vibration theories and numerical computation.It is shown that there exists a critical value for the applied load.When the applied load is larger than the critical value,a spherical cavity will suddenly form at the center of the sphere.It is proved that the evolution of the cavity radius with time follows that of nonlinear periodic oscillation,and oscillation of the anisotropic sphere is not the same as that of the isotropic sphere.

  10. Quantum chemistry and molecular dynamics studies of the entropic elasticity of localized molecular kinks in polyisoprene chains

    Science.gov (United States)

    Hanson, David E.; Martin, Richard L.

    2010-08-01

    We investigate the thermodynamic consequences of the distribution of rotational conformations of polyisoprene on the elastic response of a network chain. In contrast to the classical theory of rubber elasticity, which associates the elastic force with the distribution of end-to-end distances, we find that the distribution of chain contour lengths provides a simple mechanism for an elastic force. Entropic force constants were determined for small contour length extensions of chains constructed as a series of localized kinks, with each kink containing between one and five cis-1,4-isoprene units. The probability distributions for the kink end-to-end distances were computed by two methods: (1) by constructing a Boltzmann distribution from the lengths corresponding to the minimum energy dihedral rotational conformations, obtained by optimizing isoprene using first principles density functional theory, and (2) by sampling the trajectories of molecular dynamics simulations of an isolated molecule composed of five isoprene units. Analogous to the well-known tube model of elasticity, we make the assumption that, for small strains, the chain is constrained by its surrounding tube, and can only move, by a process of reptation, along the primitive path of the contour. Assuming that the chain entropy is Boltzmann's constant times the logarithm of the contour length distribution, we compute the tensile force constants for chain contour length extension as the change in entropy times the temperature. For a chain length typical of moderately crosslinked rubber networks (78 isoprene units), the force constants range between 0.004 and 0.033 N/m, depending on the kink size. For a cross-linked network, these force constants predict an initial tensile modulus of between 3 and 8 MPa, which is comparable to the experimental value of 1 MPa. This mechanism is also consistent with other thermodynamic phenomenology.

  11. Light-Intensity-Induced Characterization of Elastic Constants and d33 Piezoelectric Coefficient of PLZT Single Fiber Based Transducers

    Directory of Open Access Journals (Sweden)

    Jiri Erhart

    2013-02-01

    Full Text Available Enhanced functionality of electro-optic devices by implementing piezoelectric micro fibers into their construction is proposed. Lanthanum-modified lead zirconate titanate (PLZT ceramics are known to exhibit high light transparency, desirable electro-optic properties and fast response. In this study PLZT fibers with a diameter of around 300 microns were produced by a thermoplastic processing method and their light-induced impedance and piezoelectric coefficient were investigated at relatively low light intensity (below 50 mW/cm2. The authors experimentally proved higher performance of light controlled microfiber transducers in comparison to their bulk form. The advantage of the high surface area to volume ratio is shown to be an excellent technique to design high quality light sensors by using fibrous materials. The UV absorption induced change in elastic constants of 3% and 4% for the piezoelectric coefficient d33.

  12. Light-intensity-induced characterization of elastic constants and d33 piezoelectric coefficient of PLZT single fiber based transducers.

    Science.gov (United States)

    Kozielski, Lucjan; Erhart, Jiri; Clemens, Frank Jörg

    2013-02-12

    Enhanced functionality of electro-optic devices by implementing piezoelectric micro fibers into their construction is proposed. Lanthanum-modified lead zirconate titanate (PLZT) ceramics are known to exhibit high light transparency, desirable electro-optic properties and fast response. In this study PLZT fibers with a diameter of around 300 microns were produced by a thermoplastic processing method and their light-induced impedance and piezoelectric coefficient were investigated at relatively low light intensity (below 50 mW/cm2). The authors experimentally proved higher performance of light controlled microfiber transducers in comparison to their bulk form. The advantage of the high surface area to volume ratio is shown to be an excellent technique to design high quality light sensors by using fibrous materials. The UV absorption induced change in elastic constants of 3% and 4% for the piezoelectric coefficient d(33).

  13. Four-body dynamics in 6Li elastic scattering

    CERN Document Server

    Watanabe, Shin; Ogata, Kazuyuki; Yahiro, Masanobu

    2015-01-01

    We analyze 6Li elastic scattering in a wide range of incident energies (Ein), assuming the n + p + alpha + target four-body model and solving the dynamics with the four-body version of the continuum-discretized coupled-channels method (CDCC). Four-body CDCC well reproduces the experimental data with no adjustable parameter for 6Li + 209Bi scattering at Ein = 24-50 MeV and 6Li + 208Pb scattering at Ein = 29-210 MeV. In the wide Ein range, 6Li breakup is significant and provides repulsive corrections to the folding potential. As an interesting property, d breakup is strongly suppressed in 6Li-breakup processes independently of Ein. We investigate what causes the d-breakup suppression.

  14. Collective Modes and Elastic Constants of Liquid Al83Cu17 Binary Alloy

    Institute of Scientific and Technical Information of China (English)

    B.Y.Thakore; S.G.Khambholja; P.H.Suthar; N.K.Bhatt; A.R.Jani

    2010-01-01

    @@ The collective dynamics(longitudinal and transverse phonon modes)are studied for aluminum-copper(Al-Cu)binary alloy in terms of the eigen-frequencies of the localized collective excitations.The model pseudopotential formalism is employed using a self-consistent phonon scheme by involving multiple scattering and phonon eigenfrequencies.These frequencies are expressed in terms of many-body correlation functions of atoms as well as of interatomic potential.The important ingredients in the present study are the pair-potential and pair-correlation functions.

  15. Standard practice for verification of constant amplitude dynamic forces in an axial fatigue testing system

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2008-01-01

    1.1 This practice covers procedures for the dynamic verification of cyclic force amplitude control or measurement accuracy during constant amplitude testing in an axial fatigue testing system. It is based on the premise that force verification can be done with the use of a strain gaged elastic element. Use of this practice gives assurance that the accuracies of forces applied by the machine or dynamic force readings from the test machine, at the time of the test, after any user applied correction factors, fall within the limits recommended in Section 9. It does not address static accuracy which must first be addressed using Practices E 4 or equivalent. 1.2 Verification is specific to a particular test machine configuration and specimen. This standard is recommended to be used for each configuration of testing machine and specimen. Where dynamic correction factors are to be applied to test machine force readings in order to meet the accuracy recommended in Section 9, the verification is also specific to the c...

  16. An innovative method to measure the peripheral arterial elasticity: spring constant modeling based on the arterial pressure wave with radial vibration.

    Science.gov (United States)

    Wei, Ching-Chuan

    2011-11-01

    In this study, we propose an innovative method for the direct measurement of the peripheral artery elasticity using a spring constant model, based on the arterial pressure wave equation, vibrating in a radial direction. By means of the boundary condition of the pressure wave equation at the maximum peak, we can derive the spring constant used for evaluating peripheral arterial elasticity. The calculated spring constants of six typical subjects show a coincidence with their proper arterial elasticities. Furthermore, the comparison between the spring constant method and pulse wave velocity (PWV) was investigated in 70 subjects (21-64 years, 47 normotensives and 23 hypertensives). The results reveal a significant negative correlation for the spring constant vs. PWV (correlation coefficient = -0.663, p constant method to assess the arterial elasticity is carefully verified, and it is shown to be effective as well as fast. This method should be useful for healthcare, not only in improving clinical diagnosis of arterial stiffness but also in screening subjects for early evidence of cardio-vascular diseases and in monitoring responses to therapy in the future.

  17. Are the dynamics of silicate glasses and glass-forming liquids embedded in their elastic properties?

    DEFF Research Database (Denmark)

    Smedskjær, Morten Mattrup; Mauro, John C.

    According to the elastic theory of the glass transition, the dynamics of glasses and glass-forming liquids are controlled by the evolution of shear modulus. In particular, the elastic shoving model expresses dynamics in terms of an activation energy required to shove aside the surrounding atoms, ...... of the silicate glass transition are governed by additional factors beyond the evolution of the shear modulus....

  18. Genetic algorithm for estimating in-situ rock elastic constants by acoustic reflection records

    Directory of Open Access Journals (Sweden)

    Luis Montes

    2013-01-01

    Full Text Available Las propiedades elastomecánicas de las rocas se pueden estimar a partir de la densidad (ρ y las velocidades de ondas acústica (Vp y cizalla (Vs cuyos valores establecen las amplitudes de las ondas reflejadas. Este artículo presenta un método indirecto para estimar propiedades elásticas de las rocas, que usa valores de Vp, Vs y ρ por la inversión de registros de reflexión acústica. Debido a la no-unicidad y a la naturaleza no-lineal de la inversión el motor de inferencia debe buscar una solución en un espacio de búsqueda, minimizando una función de costo que mide el error entre el dato observado y el inferido. La búsqueda puede converger en un mínimo local y no alcanzar el mínimo global verdadero. Los algoritmos genéticos han mostrado ser más eficientes en hallar la solución óptima en este tipo de espacios de búsqueda. Un algoritmo genético codificado en Matlab estima ρ, Vp y Vs a través de la inversión de una ecuación que las relaciona con las amplitudes y ángulos de incidencia de las ondas acústicas. La constante elástica de Lamé (λ, el coeficiente de Poisson (ν, y los módulos de elasticidad (, compresibilidad ( y rigidez ( se pueden estimar a partir de ρ, Vp y Vs. Para verificar la robustez y estabilidad del algoritmo, éste se probó con datos sintéticos y se aplicó a registros reales exhibiendo un buen desempeño en alcanzar las soluciones en ambos casos. El método presentado tiene una profundidad de sondeo mayor al método de refracción, siendo aplicable en distintos campos de la ingeniería.

  19. Study of the temperature dependence of the elastic constants of natural and deuterated (NH[sub 4])[sub 2]MCl[sub 6] compounds

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, B.R.K.; Kawald, U.; Johannsmann, H.; Pelzl, J. (Bochum Univ. (Germany). Inst. fuer Experimentalphysik AG 6); Xu, Y.C. (Tongji Univ., Shanghai (China). Pohl Inst.)

    1992-08-17

    Experimental and theoretical investigations of the temperature dependence of the elastic constants in the cubic phases of (NH[sub 4])[sub 2]TeCl[sub 6], (ND[sub 4])[sub 2]TeCl[sub 6], (NH[sub 4])[sub 2]SnCl[sub 6] and (ND[sub 4])[sub 2]SnCl[sub 6] have been made in the range of temperatures from 4.2 to 300 K. The temperature variation in the elastic constants has been measured by Brillouin scattering and an interionic potential model has been used to interpret the experimental results. It has been found that the three-body interaction considered in the potential model plays an important and significant role in explaining the characteristic behaviour of the crystals under study. Good agreement between the experimental and theoretical values of the temperature derivatives of the elastic constants at room temperature has been obtained. (author).

  20. A New Inverse Method of Elastic Constants for a Fibre-Reinforced Composite Plate from Laser-Based Ultrasonic Lamb Waves

    Institute of Scientific and Technical Information of China (English)

    杨京; 程建春

    2001-01-01

    A new inverse method based on the wavelet transform and artificial neural networks (ANN) is presented to recover elastic constants of a fibre-reinforced composite plate from laser-based ultrasonic Lamb waves. The transient waveforms obtained by numerical simulations under different elastic constants are taken as the input of the ANN for training and learning. The wavelet transform is employed for extracting the eigenvectors from the raw Lamb wave signals so as to simplify the structure of the ANN. Then these eigenvectors are input to a multi-layer internally recurrent neural network with a back-propagation algorithm. Finally, the experimental waveforms are used as the input in the whole system to inverse elastic constants of the experimental material.

  1. Cross talk between matrix elasticity and mechanical force regulates myoblast traction dynamics

    Science.gov (United States)

    Al-Rekabi, Zeinab; Pelling, Andrew E.

    2013-12-01

    Growing evidence suggests that critical cellular processes are profoundly influenced by the cross talk between extracellular nanomechanical forces and the material properties of the cellular microenvironment. Although many studies have examined either the effect of nanomechanical forces or the material properties of the microenvironment on biological processes, few have investigated the influence of both. Here, we performed simultaneous atomic force microscopy and traction force microscopy to demonstrate that muscle precursor cells (myoblasts) rapidly generate a significant increase in traction when stimulated with a local 10 nN force. Cells were cultured and nanomechanically stimulated on hydrogel substrates with controllable local elastic moduli varying from ˜16-89 kPa, as confirmed with atomic force microscopy. Importantly, cellular traction dynamics in response to nanomechanical stimulation only occurred on substrates that were similar to the elasticity of working muscle tissue (˜64-89 kPa) as opposed to substrates mimicking resting tissue (˜16-51 kPa). The traction response was also transient, occurring within 30 s, and dissipating by 60 s, during constant nanomechanical stimulation. The observed biophysical dynamics are very much dependent on rho-kinase and myosin-II activity and likely contribute to the physiology of these cells. Our results demonstrate the fundamental ability of cells to integrate nanoscale information in the cellular microenvironment, such as nanomechanical forces and substrate mechanics, during the process of mechanotransduction.

  2. Laser light scattering technique for non-invasive in situ simultaneous measurements on elastic constants and viscosity coefficients of nematic liquid crystals

    Institute of Scientific and Technical Information of China (English)

    TU; Mei; HUANG; Yaoxiong

    2004-01-01

    The laser light scattering technique for non-invasive in situ simultaneous measurements on elastic constants and viscosity coefficients of nematic liquid crystals is introduced. By measuring the autocorrelation function of the scattered light from nematic liquid crystals at different scattering angles, the splay and twist elastic constants K11 and K22 are obtained from the amplitudes of the autocorrelation function, and the viscosity coefficients of (Splay and (Twist are determined using the viscoelastic ratios K11/( Splay and K22/(Twist from the relaxation parameters of the two modes.

  3. Comparative study on three dynamic modulus of elasticity and static modulus of elasticity for Lodgepole pine lumber

    Institute of Scientific and Technical Information of China (English)

    LIANG Shan-qing; FU feng

    2007-01-01

    The dynamic and static modulus of elasticity (MOE) between bluestained and non-bluestained lumber of Lodgepole pine were tested and analyzed by using three methods of Non-destructive testing (NDT), Portable Ultrasonic Non-destructive Digital Indicating Testing (Pundit), Metriguard and Fast Fourier Transform (FFT) and the normal bending method. Results showed that the dynamic and static MOE of bluestained wood were higher than those of non-bluestained wood. The significant differences in dynamic MOE and static MOE were found between bulestained and non-bluestained wood, of which, the difference in each of three dynamic MOE (Ep.the ultrasonic wave modulus of elasticity, Em, the stress wave modulus of elasticity and Ef, the longitudinal wave modulus of elasticity) between bulestained and non-bluestained wood arrived at the 0.01 significance level, whereas that in the static MOE at the 0.05 significance level. The differences in MOE between bulestained and non-bluestained wood were induced by the variation between sapwood and heartwood and the different densities of bulestained and non-bluestained wood. The correlation between dynamic MOE and static MOE was statistically significant at the 0.01 significance level. Although the dynamic MOE values of Ep, Em, Ef were significantly different, there exists a close relationship between them (arriving at the 0.01 correlation level). Comparative analysis among the three techniques indicated that the accurateness of FFT was higher than that of Pundit and Metriguard. Effect of tree knots on MOE was also investigated. Result showed that the dynamic and static MOE gradually decreased with the increase of knot number, indicating that knot number had significant effect on MOE value.

  4. Constant mean curvature surfaces via integrable dynamical system

    CERN Document Server

    Konopelchenko, B G

    1995-01-01

    It is shown that the equation which describes constant mean curvature surface via the generalized Weierstrass-Enneper inducing has Hamiltonian form. Its simplest finite-dimensional reduction has two degrees of freedom, integrable and its trajectories correspond to well-known Delaunay and do Carmo-Dajzcer surfaces (i.e., helicoidal constant mean curvature surfaces).

  5. The Dynamics of Pendulums on Surfaces of Constant Curvature

    Energy Technology Data Exchange (ETDEWEB)

    Coulton, P. [Eastern Illinois University, Mathematics Department (United States)], E-mail: prcoulton@eiu.edu; Foote, R. [Wabash College (United States)], E-mail: footer@wabash.edu; Galperin, G. [Eastern Illinois University, Mathematics Department (United States)], E-mail: ggalperin@eiu.edu

    2009-05-15

    We define the notion of a pendulum on a surface of constant curvature and study the motion of a mass at a fixed distance from a pivot. We consider some special cases: first a pivot that moves with constant speed along a geodesic, and then a pivot that undergoes acceleration along a fixed geodesic.

  6. Thermal effects in the dynamics of disordered elastic systems

    Energy Technology Data Exchange (ETDEWEB)

    Bustingorry, S.; Kolton, A.B. [Centro Atomico Bariloche, 8400 S.C. de Bariloche (Argentina); Rosso, A. [CNRS, LPTMS, Univ. Paris-Sud, UMR 8626, Orsay Cedex F-91405 (France); Krauth, W. [CNRS-Laboratoire de Physique Statistique, Ecole Normale Superieure, 24 rue Lhomond, 75231 Paris Cedex 05 (France); Giamarchi, T. [DPMC-MaNEP, University of Geneva, 24 Quai Ernest Ansermet, 1211 Geneva 4 (Switzerland)], E-mail: Thierry.Giamarchi@physics.unige.ch

    2009-03-01

    Many seemingly different macroscopic systems (magnets, ferroelectrics, CDW, vortices, etc.) can be described as generic disordered elastic systems. Understanding their static and dynamics thus poses challenging problems both from the point of view of fundamental physics and of practical applications. Despite important progress many questions remain open. In particular the temperature has drastic effects on the way these systems respond to an external force. We address here the important question of the thermal effect close to depinning, and whether these effects can be understood in the analogy with standard critical phenomena, analogy so useful to understand the zero temperature case. We show that close to the depinning force temperature leads to a rounding of the depinning transition and compute the corresponding exponent. In addition, using a novel algorithm it is possible to study precisely the behavior close to depinning, and to show that the commonly accepted analogy of the depinning with a critical phenomenon does not fully hold, since no divergent lengthscale exists in the steady state properties of the line below the depinning threshold.

  7. Pressure dependence of elastic and dynamical properties of zinc-blende ZnS and ZnSe from first principle calculation

    Directory of Open Access Journals (Sweden)

    H.Y. Wang

    2012-03-01

    Full Text Available The density-functional theory (DFT and density-functional perturbation theory (DFPT are employed to study the pressure dependence of elastic and dynamical properties of zinc-blende ZnS and ZnSe. The calculated elastic constants and phonon spectra from 0 GPa to 15 GPa are compared with the available experimental data. Generally, our calculated values are overestimated with experimental data, but agree well with recent other theoretical values. The discrepancies with experimental data are due to the use of local density approximation (LDA and effect of temperature. In this work, in order to compare with experimental data, we calculated and discussed the pressure derivatives of elastic constants, the pressure dependence of dynamical effect charge, and mode Grüneisen parameter at Γ.

  8. Nonlinear dynamic acousto-elasticity measurement by Rayleigh wave in concrete cover evaluation

    Science.gov (United States)

    Vu, Quang Anh; Garnier, Vincent; Payan, Cédric; Chaix, Jean-François; Lott, Martin; Eiras, Jesús N.

    2015-10-01

    This paper presents local non-destructive evaluation of concrete cover by using surface Rayleigh wave in nonlinear Dynamic Acousto-Elasticity (DAE) measurement. Dynamic non classical nonlinear elastic behavior like modulus decrease under applied stress and slow dynamic process has been observed in many varieties of solid, also in concrete. The measurements conducted in laboratory, consist in qualitative evaluation of concrete thermal damage. Nonlinear elastic parameters especially conditioning offset are analyzed for the cover concrete by Rayleigh wave. The results of DAE method show enhanced sensitivity when compared to velocity measurement. Afterward, this technique broadens measurements to the field.

  9. COMPARISON OF ELASTIC OF POROUS CORDIERITE BY FLEXURE AND DYNAMIC TEST METHODS

    Energy Technology Data Exchange (ETDEWEB)

    Stafford, Randall [Cummins, Inc; Golovin, K. B. [Cummins, Inc; Dickinson, A. [Cummins, Inc; Watkins, Thomas R [ORNL; Shyam, Amit [ORNL; Lara-Curzio, Edgar [ORNL

    2012-01-01

    Previous work showed differences in apparent elastic modulus between mechanical flexure testing and resonance methods. Flexure tests have been conducted using non-contact optical systems to directly measure deflection for calculation of elastic modulus. Dynamic test methods for elastic modulus measurement were conducted on the same material for comparison. The results show significant difference in the apparent elastic modulus for static flexure versus dynamic methods. The significance of the difference in apparent elastic modulus on thermal stress and the hypotheses for these differences will be discussed. Dynamic measurement (resonance) and static measurement (mechanical) produce different values for elastic modulus of porous cordierite ceramic. The elastic modulus from resonance is a measure of the material response at very low strain which is different from the material response in a mechanical test with relatively large strain. The apparent elastic moduli for dynamic versus static test methods in this study are different by a factor of two. This result has significant impact on calculated stress and life in an aftertreatment component.

  10. The Elastic Constants of the Single Crystal of the Mg-Zn-Zr-REM Alloy from the Data of the Elastic Anisotropy and the Texture of the Polycrystalline Sheet

    Directory of Open Access Journals (Sweden)

    S. V. San’kova

    2014-01-01

    Full Text Available The measuring of the constants of single-crystals requires the availability of crystals of relatively big size. In this paper the elastic constants of the single crystals of magnesium alloy with zinc, zirconium, and rare earth metals (REM were determined by means of the experimental anisotropy of Young’s modulus and integral characteristics of texture (ICT, which were found from pole figures. Using these constants the anisotropy of Young’s modulus of alloy sheet ZE10 was calculated. Deviation of calculated values from experimental values did not exceed 2%.

  11. Elastic constants and Debye temperature of wz-AlN and wz-GaN semiconductors under high pressure from first-principles

    Indian Academy of Sciences (India)

    B P Pandey; V Kumar; Eduardo Menendez Proupin

    2014-09-01

    First-principles calculations were performed to study the elastic stiffness constants ($C_{ij}$) and Debye temperature ($_D$) of wurzite (wz) AlN and GaN binary semiconductors at high pressure. The lattice constants were calculated from the optimized structure of these materials. The band gaps were calculated at point using local density approximation (LDA) approach. The unit cell volume, lattice parameters, /, internal parameter (), elastic constant ($C_{ij}$), Debye temperature ($_D$), Hubbard parameter () and band gap ($E_g$) were studied under different pressures. The bulk modulus ($B_0$), reduced bulk modulus ($B'_0$) and Poisson ratio ($\\vee$) were also calculated. The calculated values of these parameters are in fair agreement with the available experimental and reported values.

  12. Effects of Ni vacancy, Ni antisite, Cr and Pt on the third-order elastic constants and mechanical properties of NiAl

    KAUST Repository

    Wu, Shaohua

    2014-12-01

    Effects of Ni vacancy, Ni antisite in Al sublattice, Cr in Al sublattice, Pt in Ni sublattice on the second-order elastic constants (SOECs) and third-order elastic constants (TOECs) of the B2 NiAl have been investigated using the first-principles methods. Lattice constant and the SOECs of NiAl are in good agreement with the previous results. The brittle/ductile transition map based on Pugh ratio G/B and Cauchy pressure Pc shows that Ni antisite, Cr, Pt and pressure can improve the ductility of NiAl, respectively. Ni vacancy and lower pressure can enhance the Vickers hardness Hv of NiAl. The density of states (DOS) and the charge density difference are also used to analysis the effects of vacancy, Ni antisite, Cr and Pt on the mechanical properties of NiAl, and the results are in consistent with the transition map. © 2014 Elsevier Ltd. All rights reserved.

  13. A Multiscalling Constant Lambda Molecular Dynamic Gromacs Implementation

    NARCIS (Netherlands)

    Goga, Nicolae; Costache, Stefania; Marrink, Siewert

    2009-01-01

    Molecular dynamics is one of the methods used now-a-days by the scientific community to study the property of polymers. This paper presents a new method for multiscaling molecular dynamics that combines the advantages of fine-grained and coarse grained representations. The new methodology is

  14. Exploring the Local Elastic Properties of Bilayer Membranes Using Molecular Dynamics Simulations

    DEFF Research Database (Denmark)

    Pieffet, Gilles; Botero, Alonso; Peters, Günther H.J.;

    2014-01-01

    of mean force (PMF) allowed us to dissect the elastic contribution. With this information, we calculated an effective linear spring constant of 44 +/- 4 kJ.nm-2.mol-1 for the DOPC membrane, in agreement with experimental estimates. The membrane deformation profile was determined independently during...... the stretching process in molecular detail, allowing us to fit this profile to a previously proposed continuum elastic model. Through this approach, we calculated an effective membrane spring constant of 42 kJ-2.mol-1, which is in good agreement with the PMF calculation. Furthermore, the solvation energy we...... derived from the data is shown to match the solvation energy estimated from critical micelle formation constants. This methodology can be used to determine how changes in lipid composition or the presence of membrane modifiers can affect the elastic properties of a membrane at a local level....

  15. Devaluation: a dynamical mechanism for a naturally small cosmological constant

    Science.gov (United States)

    Freese, Katherine; Liu, James T.; Spolyar, Douglas

    2006-03-01

    We propose a natural solution to the cosmological constant problem consistent with the standard cosmology and successful over a broad range of energies. This solution is based on the existence of a new field, the devaluton, with its potential modeled on a tilted cosine. After inflation, the universe reheats and populates the devaluton's many minima. As the universe cools, domain walls form between different regions. The domain wall network then evolves and sweeps away regions of higher vacuum energy in favor of lower energy ones. Gravitation itself provides a cutoff at a minimum vacuum energy, thus leaving the universe with a small cosmological constant comparable in magnitude to the present day dark energy density.

  16. Devaluation: a dynamical mechanism for a naturally small cosmological constant

    Energy Technology Data Exchange (ETDEWEB)

    Freese, Katherine [Michigan Center for Theoretical Physics, University of Michigan, Ann Arbor, MI 48109-1120 (United States)]. E-mail: ktfreese@umich.edu; Liu, James T. [Michigan Center for Theoretical Physics, University of Michigan, Ann Arbor, MI 48109-1120 (United States)]. E-mail: jimliu@umich.edu; Spolyar, Douglas [Physics Department, University of California, Santa Cruz, CA 95060 (United States)]. E-mail: dspolyar@physics.ucsc.edu

    2006-03-09

    We propose a natural solution to the cosmological constant problem consistent with the standard cosmology and successful over a broad range of energies. This solution is based on the existence of a new field, the devaluton, with its potential modeled on a tilted cosine. After inflation, the universe reheats and populates the devaluton's many minima. As the universe cools, domain walls form between different regions. The domain wall network then evolves and sweeps away regions of higher vacuum energy in favor of lower energy ones. Gravitation itself provides a cutoff at a minimum vacuum energy, thus leaving the universe with a small cosmological constant comparable in magnitude to the present day dark energy density.

  17. Devaluation: a dynamical mechanism for a naturally small cosmological constant

    CERN Document Server

    Freese, K; Spolyar, D; Freese, Katherine; Liu, James T.; Spolyar, Douglas

    2006-01-01

    We propose a natural solution to the cosmological constant problem consistent with the standard cosmology and successful over a broad range of energies. This solution is based on the existence of a new field, the devaluton, with its potential modeled on a tilted cosine. After inflation, the universe reheats and populates the devaluton's many minima. As the universe cools, domain walls form between different regions. The domain wall network then evolves and sweeps away regions of higher vacuum energy in favor of lower energy ones. Gravitation itself provides a cutoff at a minimum vacuum energy, thus leaving the universe with a small cosmological constant comparable in magnitude to the present day dark energy density.

  18. Dynamics as the preservation of a constant commutator

    Energy Technology Data Exchange (ETDEWEB)

    Torres-Vega, Gabino [Departamento de Fisica, Cinvestav, apartado postal 14-740, 07000 Mexico, Distrito Federal (Mexico)], E-mail: gabino@fis.cinvestav.mx

    2007-10-01

    Some properties involving two operators with a constant commutator are derived. They include a definition of derivatives of operator functions, their conjugate spaces, and the associated translation generators. The cases of real functions, quantum coordinate and momentum operators, time and Liouville operator, and quantum time and energy operators, are analyzed within this formalism. This procedure allows the elucidation of the properties of time in classical and quantum mechanics.

  19. Change of Static and Dynamic Elastic Properties due to CO² Injection in North Sea Chalk

    DEFF Research Database (Denmark)

    Alam, Mohammad Monzurul; Hjuler, M.L.; Christensen, H.F.;

    2012-01-01

    Reservoir modeling and monitoring uses dynamic data for predicting and determining static changes. Dynamic data are achieved from the propagation velocity of elastic waves in rock while static data are obtained from the mechanical deformation. Reservoir simulation and monitoring are particularly......% non-carbonate. We studied difference in static and dynamic behavior. Furthermore, brine saturated data were compared with CO2 injected data to reveal the effect of supercritical CO2 injection in both static and dynamic elastic properties. We used strain gauges and LVDTs to measure static deformation....... We observed lower dynamic elastic modulus for chalk with higher non-carbonate content at porosities lower than 30%. In 30% porosity chalk, dynamic compressional and bulk modulus were found significantly higher than the static modulus. Static measurements with LVDT were found lowest. The effect of CO2...

  20. Dynamic Response Analysis of Microflow Electrochemical Sensors with Two Types of Elastic Membrane.

    Science.gov (United States)

    Zhou, Qiuzhan; Wang, Chunhui; Chen, Yongzhi; Chen, Shuozhang; Lin, Jun

    2016-05-09

    The Molecular Electric Transducer (MET), widely applied for vibration measurement, has excellent sensitivity and dynamic response at low frequencies. The elastic membrane in the MET is a significant factor with an obvious effect on the performance of the MET in the low frequency domain and is the focus of this paper. In simulation experiments, the elastic membrane and the reaction cavity of the MET were analysed in a model based on the multiphysics finite element method. Meanwhile, the effects caused by the elastic membrane elements are verified in this paper. With the numerical simulation and practical experiments, a suitable elastic membrane can be designed for different cavity structures. Thus, the MET can exhibit the best dynamic response characteristics to measure the vibration signals. With the new method presented in this paper, it is possible to develop and optimize the characteristics of the MET effectively, and the dynamic characteristics of the MET can be improved in a thorough and systematic manner.

  1. Dynamics of 'abc' and 'qd' constant parameters induction generator model

    DEFF Research Database (Denmark)

    Fajardo-R, L.A.; Medina, A.; Iov, F.

    2009-01-01

    In this paper, parametric sensibility effects on dynamics of the induction generator in the presence of local perturbations are investigated. The study is conducted in a 3x2 MW wind park dealing with abc, qd0 and qd reduced order, induction generator model respectively, and with fluxes as state v...

  2. Determining Equilibrium Constants for Dimerization Reactions from Molecular Dynamics Simulations

    NARCIS (Netherlands)

    De Jong, Djurre H.; Schafer, Lars V.; De Vries, Alex H.; Marrink, Siewert J.; Berendsen, Herman J. C.; Grubmueller, Helmut

    2011-01-01

    With today's available computer power, free energy calculations from equilibrium molecular dynamics simulations "via counting" become feasible for an increasing number of reactions. An example is the dimerization reaction of transmembrane alpha-helices. If an extended simulation of the two helices c

  3. First principles calculations of formation energies and elastic constants of inclusions α-Al2O3, MgO and AlN in aluminum alloy

    Science.gov (United States)

    Liu, Yu; Huang, Yuanchun; Xiao, Zhengbing; Yang, Chuge; Reng, Xianwei

    2016-05-01

    In this paper, the formation energies and elastic constants of α-Al2O3, MgO and AlN in both rock salt (cubic) and wurtzite (hexagonal) structures were investigated by first principles calculations. The results show that the formation energy being -17.8, -6.3, -3.06 and -3.46 eV/formula unit for α-Al2O3, MgO, AlN (rock salt) and AlN (wurtzite). It suggests that in the ground state, α-Al2O3 is relatively more stable than MgO and AlN. The elastic properties for a polycrystalline in the ground state were calculated with the obtained elastic constants, the elastic properties reveal the rock salt structure AlN is the hardest particles among all the inclusions, and all of these inclusions are classified as brittle materials, which is detrimental to the ductile nature of aluminum matrix. The calculated anisotropy index shows that the AlN (wurtzite) and α-Al2O3 have a lower degree of anisotropy compared with MgO and AlN (rock salt). The calculated results are in good agreement with the values of experimental and other works.

  4. Surface Brillouin scattering measurement of the elastic constants of single crystal InAs{sub 0.91}Sb{sub 0.09}

    Energy Technology Data Exchange (ETDEWEB)

    Kotane, L M; Comins, J D; Every, A G [Materials Physics Research Institute, School of Physics, University of the Witwatersrand, Johannesburg, Wits 2050 (South Africa); Botha, J R, E-mail: Lesias.Kotane@wits.ac.z [Department of Physics, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa)

    2011-01-01

    Surface Brillouin scattering of light has been used to measure the angular dependence of the Rayleigh surface acoustic wave (SAW), pseudo surface acoustic wave (PSAW) and longitudinal lateral wave (LLW) speeds in a (100)-oriented single crystal of the ternary semiconductor alloy InAs{sub 0.91}Sb{sub 0.09}. The wave speed measurements have been used to determine the room temperature values of the elastic constants C{sub 11}, C{sub 12} and C{sub 44} of the alloy. A simple and robust fitting procedure has been implemented for recovering the elastic constants, in which the merit function is constructed from explicit secular functions that determine the surface and lateral wave speeds in the [001] and [011] crystallographic directions. In the fitting, relatively larger weighting factors have been assigned to the SAW and PSAW data because of the greater precision with which the surface modes can be measured as compared with the lateral wave.

  5. Theoretical study of high-pressure phase stability of NaZr2(PO4)3 via elastic constants and equation of state

    Science.gov (United States)

    Chinnappan, Ravi; Panigrahi, B. K.

    2017-03-01

    Phase stability of NaZr_2(PO_4)_3 has been studied through density functional theory calculations of elastic constants, equation of state and enthalpies. The changes in elastic constants as a function of pressure show that the ambient rhombohedral (Rbar{3}c) NaZr_2(PO_4)_3 becomes unstable above 8 GPa and this instability is driven by a softening of C_{44} elastic constant through one of the Born stability criteria. High-pressure equation-of-state and enthalpy calculations further show that the ambient rhombohedral (Rbar{3}c) structure transforms first into another rhombohedral ( R3) phase and subsequently to LiZr_2(PO_4)_3-type orthorhombic phase at pressures above 6 and 8 GPa respectively which are in agreement with a recent x-ray diffraction study. Analysis of interatomic distances show that LiZr_2(PO_4)_3-type orthorhombic structure allows for shorter Na-O and Zr-P bonds at high pressures which appears to enable strong bonding and stability. Calculated formation enthalpy and bulk modulus of the ambient phase of NaZr_2(PO_4)_3 are found to be in reasonable agreement with the respective experimental values.

  6. Nonlinear effect of elastic vortexlike motion on the dynamic stress state of solids

    Science.gov (United States)

    Shilko, Evgeny V.; Grinyaev, Yurii V.; Popov, Mikhail V.; Popov, Valentin L.; Psakhie, Sergey G.

    2016-05-01

    We present a theoretical analysis of the dynamic stress-strain state of regions in a solid body that are involved in a collective elastic vortexlike motion. It is shown that the initiation of elastic vortexlike motion in the material is accompanied by the appearance of dilatancy and equivalent strain, the magnitudes of which are proportional to the square of the ratio of linear velocity on the periphery of the elastic vortex to the velocity of longitudinal elastic waves (P wave). Under conditions of dynamic loading the described dynamic effects are able to initiate inelastic deformation or destruction of the material at loading speeds of a few percent of the P -wave speed. The obtained analytical estimates suggest that dynamic nonlinear strains can make a significant contribution in a number of widely studied nonlinear dynamic phenomena in solids. Among them are the effect of acoustic (dynamic) dilatancy in solids and granular media, which leads to the generation of longitudinal elastic waves by transverse waves [V. Tournat et al., Phys. Rev. Lett. 92, 085502 (2004), 10.1103/PhysRevLett.92.085502] and the formation of an array of intense "hot spots" (reminiscent of shear-induced hydrodynamic instabilities in fluids) in adiabatic shear bands [P. R. Guduru et al., Phys. Rev. E 64, 036128 (2001), 10.1103/PhysRevE.64.036128].

  7. Effects of elastic support on the dynamic behaviors of the wind turbine drive train

    Science.gov (United States)

    Wang, Xibin; Zhou, Tianfeng; Xie, Lijing; Jiao, Li; Liu, Zhibing; Liang, Zhiqiang; Yan, Pei

    2017-03-01

    The reliability and service life of wind turbines are influenced by the complex loading applied on the hub, especially amidst a poor external wind environment. A three-point elastic support, which includes the main bearing and two torque arms, was considered in this study. Based on the flexibilities of the planet carrier and the housing, a coupled dynamic model was developed for a wind turbine drive train. Then, the dynamic behaviors of the drive train for different elastic support parameters were computed and analyzed. Frequency response functions were used to examine how different elastic support parameters influence the dynamic behaviors of the drive train. Results showed that the elastic support parameters considerably influenced the dynamic behaviors of the wind turbine drive train. A large support stiffness of the torque arms decreased the dynamic response of the planet carrier and the main bearing, whereas a large support stiffness of the main bearing decreased the dynamic response of planet carrier while increasing that of the main bearing. The findings of this study provide the foundation for optimizing the elastic support stiffness of the wind turbine drive train.

  8. Effects of elastic support on the dynamic behaviors of the wind turbine drive train

    Science.gov (United States)

    Wang, Shuaishuai; Zhu, Caichao; Song, Chaosheng; Han, Huali

    2017-09-01

    The reliability and service life of wind turbines are influenced by the complex loading applied on the hub, especially amidst a poor external wind environment. A three-point elastic support, which includes the main bearing and two torque arms, was considered in this study. Based on the flexibilities of the planet carrier and the housing, a coupled dynamic model was developed for a wind turbine drive train. Then, the dynamic behaviors of the drive train for different elastic support parameters were computed and analyzed. Frequency response functions were used to examine how different elastic support parameters influence the dynamic behaviors of the drive train. Results showed that the elastic support parameters considerably influenced the dynamic behaviors of the wind turbine drive train. A large support stiffness of the torque arms decreased the dynamic response of the planet carrier and the main bearing, whereas a large support stiffness of the main bearing decreased the dynamic response of planet carrier while increasing that of the main bearing. The findings of this study provide the foundation for optimizing the elastic support stiffness of the wind turbine drive train.

  9. Research on Dynamic Tension for Belt Conveyor with Constant Force Automatic Take-Up Assembly

    Institute of Scientific and Technical Information of China (English)

    MENG Guo-ying; CHEN Jing-li; LI Yu-jin

    2003-01-01

    The article Provides a dynamic model for belt conveyor. Based on the drive-force of conveyor, take-up tension of take-up assembly, gravity of conveyor belt and material, and friction between belt and idlers, it gives a viscoelastic dynamic equation for conveyor belt. It presents a calculation method of analytic solution to both viscoelastic dynamic equation and geometric dynamic equation when automatic take-up assembly is applied to belt conveyor. The article also makes a study of design method of limiting and eliminating the conveyor belt's elastic vibration.

  10. Determining equilibrium constants for dimerization reactions from molecular dynamics simulations.

    Science.gov (United States)

    De Jong, Djurre H; Schäfer, Lars V; De Vries, Alex H; Marrink, Siewert J; Berendsen, Herman J C; Grubmüller, Helmut

    2011-07-15

    With today's available computer power, free energy calculations from equilibrium molecular dynamics simulations "via counting" become feasible for an increasing number of reactions. An example is the dimerization reaction of transmembrane alpha-helices. If an extended simulation of the two helices covers sufficiently many dimerization and dissociation events, their binding free energy is readily derived from the fraction of time during which the two helices are observed in dimeric form. Exactly how the correct value for the free energy is to be calculated, however, is unclear, and indeed several different and contradictory approaches have been used. In particular, results obtained via Boltzmann statistics differ from those determined via the law of mass action. Here, we develop a theory that resolves this discrepancy. We show that for simulation systems containing two molecules, the dimerization free energy is given by a formula of the form ΔG ∝ ln(P(1) /P(0) ). Our theory is also applicable to high concentrations that typically have to be used in molecular dynamics simulations to keep the simulation system small, where the textbook dilute approximations fail. It also covers simulations with an arbitrary number of monomers and dimers and provides rigorous error estimates. Comparison with test simulations of a simple Lennard Jones system with various particle numbers as well as with reference free energy values obtained from radial distribution functions show full agreement for both binding free energies and dimerization statistics.

  11. Constant pressure and temperature discrete-time Langevin molecular dynamics.

    Science.gov (United States)

    Grønbech-Jensen, Niels; Farago, Oded

    2014-11-21

    We present a new and improved method for simultaneous control of temperature and pressure in molecular dynamics simulations with periodic boundary conditions. The thermostat-barostat equations are built on our previously developed stochastic thermostat, which has been shown to provide correct statistical configurational sampling for any time step that yields stable trajectories. Here, we extend the method and develop a set of discrete-time equations of motion for both particle dynamics and system volume in order to seek pressure control that is insensitive to the choice of the numerical time step. The resulting method is simple, practical, and efficient. The method is demonstrated through direct numerical simulations of two characteristic model systems-a one-dimensional particle chain for which exact statistical results can be obtained and used as benchmarks, and a three-dimensional system of Lennard-Jones interacting particles simulated in both solid and liquid phases. The results, which are compared against the method of Kolb and Dünweg [J. Chem. Phys. 111, 4453 (1999)], show that the new method behaves according to the objective, namely that acquired statistical averages and fluctuations of configurational measures are accurate and robust against the chosen time step applied to the simulation.

  12. Elastic fiber formation: a dynamic view of extracellular matrix assembly using timer reporters.

    Science.gov (United States)

    Kozel, Beth A; Rongish, Brenda J; Czirok, Andras; Zach, Julia; Little, Charles D; Davis, Elaine C; Knutsen, Russell H; Wagenseil, Jessica E; Levy, Marilyn A; Mecham, Robert P

    2006-04-01

    To study the dynamics of elastic fiber assembly, mammalian cells were transfected with a cDNA construct encoding bovine tropoelastin in frame with the Timer reporter. Timer is a derivative of the DsRed fluorescent protein that changes from green to red over time and, hence, can be used to distinguish new from old elastin. Using dynamic imaging microscopy, we found that the first step in elastic fiber formation is the appearance of small cell surface-associated elastin globules that increased in size with time (microassembly). The elastin globules are eventually transferred to pre-existing elastic fibers in the extracellular matrix where they coalesce into larger structures (macroassembly). Mechanical forces associated with cell movement help shape the forming, extracellular elastic fiber network. Time-lapse imaging combined with the use of Timer constructs provides unique tools for studying the temporal and spatial aspects of extracellular matrix formation by live cells.

  13. The Effect of the Elastic Compliance of Actuator Components on the Dynamics of a Robot

    Science.gov (United States)

    Gulyaev, Valerii Ivanovich; Zavrazhina, Tat'yana Viktorovna

    2003-02-01

    Kinematic and dynamic control problems for a pedestal-mounted robot with a multilink arm are formulated. The robot is considered a system of perfectly rigid bodies controlled by a combined actuating system. The mathematical model of robot dynamics accounts for the elastic properties of actuator components based on the formalism of Lagrange equations of the second kind. The effect of the elastic compliance of the actuator components on the dynamics of manipulator links and actuator motors is discussed. A robot with a two-link arm is considered as an example

  14. The role of elastic compressibility in dynamic subduction models

    Science.gov (United States)

    Austmann, Walter; Govers, Rob; Burov, Evgenii

    2014-05-01

    Recent advances in geodynamic numerical models show a trend towards more realistic rheologies. The Earth is no longer modeled as a purely viscous fluid, but the effects of, for example, elasticity and plasticity are also included. However, by making such improvements, it is essential to include these more complex rheologies in a consistent way. Specifically, compressibility needs also to be included, an effect that is commonly neglected in numerical models. Recently, we showed that the effect of elastic compressibility is significant. This was done for a gravity driven cylinder in a homogeneous Maxwell fluid bounded by closed boundaries. For a fluid with a realistic compressibility (Poisson ratio equals 0.3), the settling velocity showed a discrepancy with the semi-analytical steady state incompressible solution of approximately 40%. The motion of the fluid was no longer restricted by a small region around the cylinder, but the motion of the cylinder compressed also the fluid near the bottom boundary. This compression decreased the resistance on the cylinder and resulted in a larger settling velocity. Here, we examine the influence of elastic compressibility in an oceanic subduction setting. The slab is driven by slab pull and a far field prescribed plate motion. Preliminary results indicate that elastic compressibility has a significant effect on the fluid motion. Differences with respect to nearly incompressible solution are most significant near material boundaries. In line with our earlier findings, the flow is increased in regions of confined flow, such as the mantle wedge or the subduction channel. As a consequence, an increasing compressibility results in a larger slab velocity. We seek to identify surface observables, such as topography and plate motion, that allow us to distinguish the compressible and incompressible behavior.

  15. Dynamics of Perceived Exertion in Constant-Power Cycling: Time- and Workload-Dependent Thresholds

    Science.gov (United States)

    Balagué, Natàlia; Hristovski, Robert; García, Sergi; Aguirre, Cecilia; Vázquez, Pablo; Razon, Selen; Tenenbaum, Gershon

    2015-01-01

    Purpose: The purpose of this study was to test the dynamics of perceived exertion shifts (PES) as a function of time and workload during constant-power cycling. Method: Fifty-two participants assigned to 4 groups performed a cycling task at 4 different constant workloads corresponding to their individual rates of perceived exertion (RPEs = 13, 15,…

  16. Dynamics of Perceived Exertion in Constant-Power Cycling: Time- and Workload-Dependent Thresholds

    Science.gov (United States)

    Balagué, Natàlia; Hristovski, Robert; García, Sergi; Aguirre, Cecilia; Vázquez, Pablo; Razon, Selen; Tenenbaum, Gershon

    2015-01-01

    Purpose: The purpose of this study was to test the dynamics of perceived exertion shifts (PES) as a function of time and workload during constant-power cycling. Method: Fifty-two participants assigned to 4 groups performed a cycling task at 4 different constant workloads corresponding to their individual rates of perceived exertion (RPEs = 13, 15,…

  17. Charge to digital converter with constant resolution over the dynamic range

    Energy Technology Data Exchange (ETDEWEB)

    Nascetti, A. [Department of Aerospace and Astronautics Engineering, Sapienza University of Rome, via Eudossiana 16, 00184, Rome (Italy)

    2009-12-15

    A novel pixel-level charge to digital converter circuit suitable for multi-channel charge sensitive amplifiers or pixelated readout ICs for hybrid detectors is presented. The proposed circuit features large dynamic range operation with constant relative resolution over the whole dynamic range. These characteristics have been obtained by introducing the fractional charge packet counting concept. In particular, a solution has been proposed to obtain the analog-to-digital conversion with constant number of significant bits.

  18. Elastic-Plastic Strain Acceptance Criteria for Structures Subject to Rapidly Applied Transient Dynamic Loading

    Energy Technology Data Exchange (ETDEWEB)

    W.R. Solonick

    2003-04-01

    Rapidly applied transient dynamic loads produce stresses and deflections in structures that typically exceed those from static loading conditions. Previous acceptance criteria for structures designed for rapidly applied transient dynamic loading limited stresses to those determined from elastic analysis. Different stress limits were established for different grades of structure depending upon the amount of permanent set considered acceptable. Structure allowed to sustain very limited permanent set is designed to stress limits not significantly greater than yield stress. Greater permanent set in structure under rapidly applied transient dynamic loading conditions is permitted by establishing stress limits that are significantly greater than yield stress but still provide adequate safety margin (with respect to failure). This paper presents a strain-based elastic-plastic (i.e., inelastic) analysis criterion developed as an alternative to the more conservative stress-based elastic analysis stress criterion for structures subjected to rapidly applied transient dynamic loading. The strain limits established are based on material ductility considerations only and are set as a fraction of the strain at ultimate stress obtained from an engineering stress/strain curve of the material. Strains limits are categorized by type as membrane or surface and by region as general, local , or concentrated. The application of the elastic-plastic criterion provides a more accurate, less conservative design/analysis basis for structures than that used in elastic stress-based analysis criteria, while still providing adequate safety margins.

  19. A micromechanical approach for homogenization of elastic metamaterials with dynamic microstructure

    Science.gov (United States)

    Muhlestein, Michael B.; Haberman, Michael R.

    2016-08-01

    An approximate homogenization technique is presented for generally anisotropic elastic metamaterials consisting of an elastic host material containing randomly distributed heterogeneities displaying frequency-dependent material properties. The dynamic response may arise from relaxation processes such as viscoelasticity or from dynamic microstructure. A Green's function approach is used to model elastic inhomogeneities embedded within a uniform elastic matrix as force sources that are excited by a time-varying, spatially uniform displacement field. Assuming dynamic subwavelength inhomogeneities only interact through their volume-averaged fields implies the macroscopic stress and momentum density fields are functions of both the microscopic strain and velocity fields, and may be related to the macroscopic strain and velocity fields through localization tensors. The macroscopic and microscopic fields are combined to yield a homogenization scheme that predicts the local effective stiffness, density and coupling tensors for an effective Willis-type constitutive equation. It is shown that when internal degrees of freedom of the inhomogeneities are present, Willis-type coupling becomes necessary on the macroscale. To demonstrate the utility of the homogenization technique, the effective properties of an isotropic elastic matrix material containing isotropic and anisotropic spherical inhomogeneities, isotropic spheroidal inhomogeneities and isotropic dynamic spherical inhomogeneities are presented and discussed.

  20. A "theory of relativity" for cognitive elasticity of time and modality dimensions supporting constant working memory capacity: involvement of harmonics among ultradian clocks?

    Science.gov (United States)

    Glassman, R B

    2000-02-01

    1. The capacity of working memory (WM) for about 7+/-2 ("the magical number") serially organized simple verbal items may represent a fundamental constant of cognition. Indeed, there is the same capacity for sense of familiarity of a number of recently encountered places, observed in radial maze performance both of lab rats and of humans. 2. Moreover, both species show a peculiar capacity for retaining WM of place over delays. The literature also describes paradoxes of extended time duration in certain human verbal recall tasks. Certain bird species have comparable capacity for delayed recall of about 4 to 8 food caches in a laboratory room. 3. In addition to these paradoxes of the time dimension with WM (still sometimes called "short-term" memory) there are another set of paradoxes of dimensionality for human judgment of magnitudes, noted by Miller in his classic 1956 paper on "the magical number." We are able to reliably refer magnitudes to a rating scale of up to about seven divisions. Remarkably, that finding is largely independent of perceptual modality or even of the extent of a linear interval selected within any given modality. 4. These paradoxes suggest that "the magical number 7+/2" depends on fundamental properties of mammalian brains. 5. This paper theorizes that WM numerosity is conserved as a fundamental constant, by means of elasticity of cognitive dimensionality, including the temporal pace of arrival of significant items of cognitive information. 6. A conjectural neural code for WM item-capacity is proposed here, which extends the hypothetical principle of binding-by-synchrony. The hypothesis is that several coactive frequencies of brain electrical rhythms each mark a WM item. 7. If, indeed, WM does involve a brain wave frequency code (perhaps within the gamma frequency range that has often been suggested with the binding hypothesis) mathematical considerations suggest additional relevance of harmonic relationships. That is, if copresent sinusoids

  1. Dynamics of elastic interactions in soft and biological matter

    Science.gov (United States)

    Yuval, Janni; Safran, Samuel A.

    2013-04-01

    Cells probe their mechanical environment and can change the organization of their cytoskeletons when the elastic and viscous properties of their environment are modified. We use a model in which the forces exerted by small, contractile acto-myosin filaments (e.g., nascent stress fibers in stem cells) on the extracellular matrix are modeled as local force dipoles. In some cases, the strain field caused by these force dipoles propagates quickly enough so that only static elastic interactions need be considered. On the other hand, in the case of significant energy dissipation, strain propagation is slower and may be eliminated completely by the relaxation of the cellular cytoskeleton (e.g., by cross-link dissociation). Here, we consider several dissipative mechanisms that affect the propagation of the strain field in adhered cells and consider these effects on the interaction between force dipoles and their resulting mutual orientations. This is a first step in understanding the development of orientational (nematic) or layering (smectic) order in the cytoskeleton. We use the theory to estimate the propagation time of the strain fields over a cellular distance for different mechanisms and find that in some cases it can be of the order of seconds, thus competing with the cytoskeletal relaxation time. Furthermore, for a simple system of two force dipoles, we predict that in some cases the orientation of force dipoles might change significantly with time, e.g., for short times the dipoles exhibit parallel alignment while for later times they align perpendicularly.

  2. Elastic dynamic research of high speed multi-link precision press considering structural stiffness of rotation joints

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Feng Feng; Sun, Yu; Peng, Bin Bin [School of Mechanical Engineering, Nanjing University of Science and Technology, Nanjing (China)

    2016-10-15

    An elastic dynamic model of high-speed multi-link precision press considering structural stiffness of rotation joints was established by the finite element method. In the finite element model, rotation joint was established by four bar elements with equivalent stiffness, and connected link was established by beam element. Then, the elastic dynamics equation of the system was established, and modal superposition method was used to solve the dynamic response. Compared with the traditional elastic dynamic model with perfect constraint of the rotation joints, the elastic dynamic response value of the improved model is larger. To validate the presented new method of elastic dynamics analysis with stiffness of rotation joints, a related test of slider Bottom dead center (BDC) position in different speed was designed. The test shows that the model with stiffness of rotation joints is more reasonable. So it provides a reasonable theory and method for dynamic characteristics research of such a multi-link machine.

  3. Determination of elastic constants of a fiber-textured gold film by combining synchrotron x-ray diffraction and in situ tensile testing

    Science.gov (United States)

    Faurie, D.; Renault, P.-O.; Le Bourhis, E.; Goudeau, Ph.

    2005-11-01

    The elastic behavior of gold thin films deposited onto Kapton substrate has been studied using in situ tensile tester in a four-circle goniometer on a synchrotron beam line (LURE facility, France). The mechanical description of the substrate-thin film composite structure has been developed to determine the stress tensor in the film while the strong {111} fiber texture was taken into account using the crystallite group method (CGM). CGM strain analysis allowed us to forecast the nonlinear relationship between strain and sin2 Ψ obtained for the thin films due to the strong anisotropy of gold. A least-square method was used to fit the overall experimental data with good accuracy and allows determining all single-crystal elastic constants.

  4. Mechanical vulnerability of lower second premolar utilising visco-elastic dynamic stress analysis.

    Science.gov (United States)

    Khani, M M; Tafazzoli-Shadpour, M; Aghajani, F; Naderi, P

    2009-10-01

    Stress analysis determines vulnerability of dental tissues to external loads. Stress values depend on loading conditions, mechanical properties and constrains of structural components. The critical stress levels lead to tissue damage. The aim of this study is to analyse dynamic stress distribution of lower second premolar due to physiological cyclic loading, and dependency of pulsatile stress characteristics to visco-elastic property of dental components by finite element modelling. Results show that visco-elastic property markedly influences stress determinants in major anatomical sites including dentin, cementum-enamel and dentin-enamel junctions. Reduction of visco-elastic parameter leads to mechanical vulnerability through elevation of stress pulse amplitude, maximum stress value; and reduction of stress phase shift as a determinant of stress wave propagation. The results may be applied in situations in which visco-elasticity is reduced such as root canal therapy and post and core restoration in which teeth are more vulnerable to fracture.

  5. Acute effects of dynamic stretching exercise on power output during concentric dynamic constant external resistance leg extension

    OpenAIRE

    YAMAGUCHI, TAICHI; Ishii, Kojiro; Yamanaka, Masanori; YASUDA, KAZUNORI

    2007-01-01

    AbstractThe purpose of the present study was to clarify the acute effect of dynamic stretching exercise on muscular performance during concentric dynamic constant external resistance (DCER, formally called isotonic) muscle actions under various loads. Concentric DCER leg extension power outputs were measured in 12 healthy male students after 2 types of pretreatment. The pre- treatments were: (a) dynamic stretching treatment including 2 types of dynamic stretching exercises of leg extensors an...

  6. Elastic Dynamic Stability of Big-Span Power Transmission Tower Subjected to Seismic Excitations

    Institute of Scientific and Technical Information of China (English)

    ZHANG Hang; LI Li; FANG Qin-han; YE Kun

    2009-01-01

    By combining the time-history response analysis and the eigenvalue buckling analysis,this paper developed a computational procedure to study the elastic dynamic stability of a transmission tower by APDL language in ANSYS.The influences of different input directions of seismic excitations and damping ratio on the elastic dynamic stability of tower were discussed.The following conclusions were obtained:(1) Longitudinal direction of the transmission lines is the worst input direction of seismic excitation for the transmission tower.(2) Dead load has no significant effect on the critical load and the occurrence time of buckling.(3) Vertical input of seismic excitations has no great effect on the dynamic stability of the transmission tower.(4) Damping effect has an influence on the dynamic stability of the transmission tower; however,the inherent characteristics of dynamic buckling is not changed.

  7. The structural, elastic, electronic and dynamical properties of chalcopyrite semiconductor BeGeAs{sub 2} from first-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Ciftci, Yasemin Oe. [Gazi University Teknikokullar, Department of Physics, Faculty of Sciences, Ankara (Turkey); Evecen, Meryem; Aldirmaz, Emine [Amasya University, Department of Physics, Faculty of Arts and Sciences, Amasya (Turkey)

    2017-01-15

    First-principles calculations for the structural, elastic, electronic and vibrational properties of BeGeAs{sub 2} with chalcopyrite structure have been reported in the frame work of the density functional theory. The calculated ground state properties are in good agreement with the available data. By considering the electronic band structure and electronic density of states calculation, it is found that this compound is a semiconductor which confirmed the previous work. Single-crystal elastic constants and related properties such as Young's modulus, Poisson ratio, shear modulus and bulk modulus have been predicted using the stress-finite strain technique. It can be seen from the calculated elastic constants that this compound is mechanically stable in the chalcopyrite structure. Pressure dependences of elastic constants and band gap are also reported. Finally, the phonon dispersion curves and total and partial density of states were calculated and discussed. The calculated phonon frequencies BeGeAs{sub 2} are positive, indicating the dynamical stability of the studied compound. (orig.)

  8. Determination of polycrystal diffraction elastic constants of Ti–2.5Cu by using in situ tensile loading and synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Maawad, E., E-mail: grossflotbek2000@gmail.com [Helmholtz-Zentrum Geesthacht, Max-Plank-Str. 1, D-21502 Geesthacht (Germany); Brokmeier, H.-G. [Helmholtz-Zentrum Geesthacht, Max-Plank-Str. 1, D-21502 Geesthacht (Germany); Institute of Materials Science and Engineering, Clausthal University of Technology, Agricolastr. 6, D-38678 Clausthal-Zellerfeld (Germany); Zhong, Z.Y.; Al-Hamdany, N.; Salih, M.; Wagner, L. [Institute of Materials Science and Engineering, Clausthal University of Technology, Agricolastr. 6, D-38678 Clausthal-Zellerfeld (Germany); Schell, N. [Helmholtz-Zentrum Geesthacht, Max-Plank-Str. 1, D-21502 Geesthacht (Germany)

    2014-01-31

    Residual stress determination in engineering components from diffraction strain measurements needs reliable diffraction elastic constants (DECs). From this sense, in situ uniaxial tensile loading experiment was performed on alpha titanium alloy Ti–2.5Cu at the HEMS beamline at DESY by means of a monochromatic synchrotron X-ray diffraction. A comparison between measured (polycrystal) and calculated (single crystal) DECs using for example the Kröner model was presented and discussed. The results revealed that the measured DECs slightly differ from the calculated ones. Furthermore, changes in the lattice parameters a and c as well as c/a ratio during tensile loading were also investigated.

  9. Fast and slow dynamics in a nonlinear elastic bar excited by longitudinal vibrations

    CERN Document Server

    Favrie, Nicolas; Payan, Cédric

    2014-01-01

    Heterogeneous materials, such as rocks and concrete, have a complex dynamics including hysteresis, nonlinear elasticity and viscoelasticity. It is very sensitive to microstructural changes and damage. The goal of this paper is to propose a physical model describing the longitudinal vibrations of this class of material, and to develop a numerical strategy for solving the evolution equations. The theory relies on the coupling between two processes with radically-different time scales: a fast process at the frequency of the excitation, governed by nonlinear elasticity and viscoelasticity; a slow process, governed by the evolution of defects. The evolution equations are written as a nonlinear hyperbolic system with relaxation. A time-domain numerical scheme is developed, based on a splitting strategy. The numerical simulations show qualitative agreement with the features observed experimentally by Dynamic Acousto-Elastic Testing.

  10. THz elastic dynamics in finite-size CoFeB-MgO phononic superlattices

    Science.gov (United States)

    Ulrichs, Henning; Meyer, Dennis; Müller, Markus; Wittrock, Steffen; Mansurova, Maria; Walowski, Jakob; Münzenberg, Markus

    2016-10-01

    In this article, we present the observation of coherent elastic dynamics in a nano-scale phononic superlattice, which consists of only 4 bilayers. We demonstrate how ultra-short light pulses with a length of 40 fs can be utilized to excite a coherent elastic wave at 0.535 THz, which persist over about 20 ps. In later steps of the elastic dynamics, modes with frequency of 1.7 THz and above appear. All these modes are related to acoustic band gaps. Thus, the periodicity strongly manifests in the wave physics, although the system under investigation has only a small number of spatial periods. To further illustrate this, we show how by breaking the translational invariance of the superlattice, these features can be suppressed. Discussed in terms of phonon blocking and radiation, we elucidate in how far our structures can be considered as useful building blocks for phononic devices.

  11. Flight Dynamics and Control of Elastic Hypersonic Vehicles Uncertainty Modeling

    Science.gov (United States)

    Chavez, Frank R.; Schmidt, David K.

    1994-01-01

    It has been shown previously that hypersonic air-breathing aircraft exhibit strong aeroelastic/aeropropulsive dynamic interactions. To investigate these, especially from the perspective of the vehicle dynamics and control, analytical expressions for key stability derivatives were derived, and an analysis of the dynamics was performed. In this paper, the important issue of model uncertainty, and the appropriate forms for representing this uncertainty, is addressed. It is shown that the methods suggested in the literature for analyzing the robustness of multivariable feedback systems, which as a prerequisite to their application assume particular forms of model uncertainty, can be difficult to apply on real atmospheric flight vehicles. Also, the extent to which available methods are conservative is demonstrated for this class of vehicle dynamics.

  12. Oscillatory Structure of Elastic Precursor in Shocked Crystalline Solids: A Molecular Dynamics Study

    Science.gov (United States)

    Zybin, Sergey; Zhakhovskii, Vasilii; Elert, Mark; White, Carter T.

    2003-03-01

    Molecular dynamics simulations are used to study the structure of elastic precursors of shock waves propagating through crystalline solids in different directions. Both rare gas and diamond crystals were studied using Lennard-Jones and reactive empirical bond order potentials respectively. Elastic precursors were found to exhibit an oscillatory profile for various directions and different shock strengths ranging from a pure elastic wave to an elastic-plastic shock splitting to a shock wave with melting. These oscillations originate from collisions of atomic planes in the shock direction bouncing against each other as in one-dimensional chain. After the oscillations fade, and the shear stress achieves its sustained maximum value, plastic deformation develops. These effects are strongly influenced by the orientation dependence of shear stress under high strain rate at the shock front. Our simulations also show that a stationary combination of elastic precursor with plastic wave could exist in moderate and even melting shock waves. The oscillatory structure of the elastic precursor might play an important role in the initiation of shock-induced chemical reactions in crystalline solids.

  13. Numerical simulation of hydro-elastic problems with smoothed particle hydro-dynamics method

    Institute of Scientific and Technical Information of China (English)

    刘谋斌; 邵家儒; 李慧琦

    2013-01-01

    Violent free surface flows with strong fluid-solid interactions can produce a tremendous pressure load on structures, resu-lting in elastic and even plastic deformations. Modeling hydro-elastic problems with structure deformations and a free surface break-up is difficult by using routine numerical methods. This paper presents an improved Smoothed Particle Hydrodynamics (SPH) method for modeling hydro-elastic problems. The fluid particles are used to model the free surface flows governed by Navier-Stokes equations, and the solid particles are used to model the dynamic movement and deformation of the elastic solid objects. The impro-ved SPH method employs a Kernel Gradient Correction (KGC) technique to improve the computational accuracy and a Fluid-Solid Interface Treatment (FSIT) algorithm with the interface fluid and solid particles being treated as the virtual particles against their counterparts and a soft repulsive force to prevent the penetration and a corrective density approximation scheme to remove the nume-rical oscillations. Three typical numerical examples are simulated, including a head-on collision of two rubber rings, the dam break with an elastic gate and the water impact onto a forefront elastic plate. The obtained SPH results agree well with experimental obse-rvations and numerical results from other sources.

  14. Elastic constants of the layered compounds GaS, GaSe, InSe, and their pressure dependence. 1. Experimental part

    Energy Technology Data Exchange (ETDEWEB)

    Gatulle, M.; Fischer, M.; Chevy, A. (Paris-6 Univ., 75 (France))

    1983-09-01

    The elastic constants of the lamellar compounds GaS, GaSe, InSe are measured on several samples using an ultrasonic method, and the results are compared with previous publications. The variations of C/sub 33/, C/sub 11/, and C/sub 66/ with hydrostatic pressure are measured up to 3 kbars. In the range of pressure studied, the variations of these constants are perfectly linear. The results on the three compounds are very similar, and typical of the lamellar structure: an important variation of C/sub 33/ caused by the weakness of the interlayer bond; on the other hand, C/sub 66/ is affected very little by pressure.

  15. Molecular Dynamics Study of a Thermal Expansion Coefficient: Ti Bulk with an Elastic Minimum Image Method

    Institute of Scientific and Technical Information of China (English)

    Yakup Hundur; Rainer Hippler; Ziya B. Güven(c)

    2006-01-01

    @@ Linear thermal expansion coefficient (TEC) of Ti bulk is investigated by means of molecular dynamics simulation.The elastic minimum image convention of periodic boundary conditions is introduced to allow the bulk to adjust its size according to the new fixed temperature. The TEC and the specific heat of Ti are compared to the available theoretical and experimental data.

  16. Dynamics of the rotor on elastic-damping supports under action of kinematic effects

    Science.gov (United States)

    Chernyshev, V.; Savin, L.; Fominova, O.

    2017-08-01

    The article describes the elements of the theory of dynamic analysis of rotor systems. The mathematical model of a gyroscopic rotor as an elementary object on elastic-damping supports. The results of simulation of the trajectories of the rotor under kinematic loading with amplitude commensurate with the clearance in bearing assemblies of fluid friction.

  17. On the modelling of the dynamics of elastically deformable floating structures

    DEFF Research Database (Denmark)

    Seng, Sopheak; Malenica, Sime; Jensen, Jørgen Juncher;

    2015-01-01

    In this paper we are reexamining the dynamic equations of an elastically deformable floating structure to identify and evaluate the contribution from the inertia cross coupling terms which commonly have been neglected due to the assumption of small structural deformation. Numerical experiments...

  18. Analysis of the dynamic response of layered, elastic media by means of the Fast Fourier Transform

    NARCIS (Netherlands)

    Abdelkarim, A.M.A.M.; Vrouwenvelder, A.C.W.M.

    1999-01-01

    A straightforward method is presented to calculate the three-dimensional response of layered, elastic half-spaces to a dynamic surface loading. The derivation of the method is performed in the wavenumber-frequency domain. Space-frequency domain results are subsequently obtained through the applicati

  19. Chaotic Dynamics of the Partially Follower-Loaded Elastic Double Pendulum

    DEFF Research Database (Denmark)

    Thomsen, Jon Juel

    1995-01-01

    The non-linear dynamics of the elastically restrained double pendulum, with non-conservative follower-type loading and linear damping, is re-examined with specific reference to the occurrence of chaotic motion. A local non-linear perturbation analysis is performed, showing that in three distinct ...

  20. Torsional Buckling and Writhing Dynamics of Elastic Cables and DNA

    Energy Technology Data Exchange (ETDEWEB)

    Goyal, S; Perkins, N C; Lee, C L

    2003-02-14

    Marine cables under low tension and torsion on the sea floor can undergo a dynamic buckling process during which torsional strain energy is converted to bending strain energy. The resulting three-dimensional cable geometries can be highly contorted and include loops and tangles. Similar geometries are known to exist for supercoiled DNA and these also arise from the conversion of torsional strain energy to bending strain energy or, kinematically, a conversion of twist to writhe. A dynamic form of Kirchhoff rod theory is presented herein that captures these nonlinear dynamic processes. The resulting theory is discretized using the generalized-method for finite differencing in both space and time. The important kinematics of cross-section rotation are described using an incremental rotation ''vector'' as opposed to traditional Euler angles or Euler parameters. Numerical solutions are presented for an example system of a cable subjected to increasing twist at one end. The solutions show the dynamic evolution of the cable from an initially straight element, through a buckled element in the approximate form of a helix, and through the dynamic collapse of this helix through a looped form.

  1. Eruption versus intrusion? Arrest of propagation of constant volume, buoyant, liquid-filled cracks in an elastic, brittle host

    Science.gov (United States)

    Taisne, B.; Tait, S.

    2009-06-01

    When a volume of magma is released from a source at depth, one key question is whether or not this will culminate in an eruption or in the emplacement of a shallow intrusion. We address some of the physics behind this question by describing and interpreting laboratory experiments on the propagation of cracks filled with fixed volumes of buoyant liquid in a brittle, elastic host. Experiments were isothermal, and the liquid was incompressible. The cracks propagated vertically because of liquid buoyancy but were then found to come to a halt at a configuration of static mechanical equilibrium, a result that is inconsistent with the prediction of the theory of linear elastic fracture mechanics in two dimensions. We interpret this result as due to a three-dimensional effect. At the curved crack front, horizontal cracking is necessary in order for vertical propagation to take place. As the crack elongates and thins, the former becomes progressively harder and, in the end, impossible to fracture. We present a scaling law for the final length and breadth of cracks as a function of a governing dimensionless parameter, constructed from the liquid volume, the buoyancy, and host fracture toughness. An important implication of this result is that a minimum volume of magma is required for a volcanic eruption to occur for a given depth of magma reservoir.

  2. Dynamical stability of fluid spheres in spacetimes with a nonzero cosmological constant

    CERN Document Server

    Hledik, Stanislav; Mrazova, Kristina

    2016-01-01

    The Sturm-Liouville eigenvalue equation for eigenmodes of the radial oscillations is determined for spherically symmetric perfect fluid configurations in spacetimes with a nonzero cosmological constant and applied in the cases of configurations with uniform distribution of energy density and polytropic spheres. It is shown that a repulsive cosmological constant rises the critical adiabatic index and decreases the critical radius under which the dynamical instability occurs.

  3. An Earth multi-body system elasticity and plasticity dynamics model

    Institute of Scientific and Technical Information of China (English)

    ZHANG Qingxian; BI Siwen; GONG Huili

    2006-01-01

    Research on the elasticity and plasticity dynamics of the Earth multi-body system, including the Earth multi-body system stratum-block's equivalent inertia force system and generalized inertia force, the Earth multi-body system stratum-block's equivalent inertia force system expressed with partial velocity and partial palstance, and Earth multi-body system generalized inertia force expressed with partial velocity and partial palstance. This research provides a theoretical foundation for further investigation of Earth multi-body dynamics.

  4. Elastic constants of B-HMX and tantalum, equations of state of supercritical fluids and fluid mixtures and thermal transport determinations

    Energy Technology Data Exchange (ETDEWEB)

    Zaug, J M

    1998-08-21

    Ultrasonic sound speed measurements via Impulsive Stimulated Light Scattering (ISLS) were made in single crystals of b-HMX and tantalum over an extended range of temperatures. Elastic constants are consequently determined for b-HMX. Sound speeds are calculated for tantalum, from known elastic constants, and compare favorably with the results presented here. ISLS time-domain fits of tantalum records allowed for thermal diffusion determinations and, correspondingly, thermal conductivity. Measurements of the speed of sound and of the thermal diffusivities of fluid oxygen up to pressures of 13 GPa and at several temperatures are presented. Between 0.1 and 13 GPa the fluid's density increases by a factor of three. Thermal diffusivities rise slowly over this range, and are substantially smaller than those previously measured for the solid b-phase. Additional sound speed measurements were made along the 250 C isotherm in a 1:1 molar ratio mixture of liquid oxygen and nitrogen. These experiments demonstrate the versatility and potential application of a new laboratory within the U. S. DOD and DOE complex. 1

  5. The elastic dynamics analysis of band saw tightening system

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    In this paper, the node movement analysis of the levers of band saw tightening system is developed. A group of theoretical displacement and distortion equations of levers are presented using the Lagrange's equation. This could be the basis for the future research in the field of band saw's tightening system dynamics analysis.

  6. Molecular constants of LiCl(X1Σ+) and elastic collisions of two ground-state Cl and Li atoms at low and ultralow temperatures

    Institute of Scientific and Technical Information of China (English)

    Zhu Zun-Lue; Zhang Xiao-Niu; Kou Su-Hua; Shi De-Heng; Sun Jin-Feng

    2010-01-01

    Interaction potentials for LiCl(X1Σ+) are constructed by the highly accurate valence internally contracted multireference configuration interaction in combination with a number of large correlation-consistent basis sets,which are used to determine the spectroscopic parameters (Do,De,Re,ωe,ωeχe,Βe and αe).The potentials obtained at the basis sets,i.e.,aug-cc-pV5Z-JKFI for Cl and cc-pV5Z for Li,are selected to study the elastic collision properties of Li and Cl atoms at the impact energies from 1.0×10-12 to 1.0×10-4 a.u.The derived total elastic cross sections are very large and almost constant at ultralow temperatures,and their shapes are mainly dominated by the s-partial wave at very low impact energies.Only one shape resonance can be found in the total el.astic cross sections over the present collision energy regime,which is rather strong and obviously broadened by the overlap contributions of the abundant resonances coming from various partial waves.Abundant resonances exist for the elastic partial-wave cross sections until l = 22 partial waves.The vibrational manifolds of the LiCl(X1Σ+) molecule,which are predicted at the present level of theory and the basis sets cc-pV5Z for Li and the aug-cc-pV5Z-JKFI for Cl,should achieve much high accuracy due to the employment of the large correlation-consistent basis sets.

  7. Dynamics of a chain of magnetic particles connected with elastic linkers

    CERN Document Server

    Cebers, A

    2003-01-01

    The model of an elastic magnetic chain is considered. By numerical simulation of the dynamics of rod shapes acted on by magnetic and elastic forces in viscous fluid, it is shown that the characteristic 'U'-like metastable shapes (hairpins) can be formed. The characteristic 'S'-like long-living shapes are formed at intermediate stages, depending on the initial perturbation of the rod, and finally relax to the global energy minima corresponding to the straight rod. Further extensions of the model will include long-range magnetic interactions between distant parts of a rod.

  8. Dynamic Elasticity of a Magnetic Fluid Column in a Strong Magnetic Field

    Science.gov (United States)

    Polunin, V. M.; Ryapolov, P. A.; Shel'deshova, E. V.; Kuz'ko, A. E.; Aref'ev, I. M.

    2017-07-01

    The elastomagnetic parameters of a magnetic fluid kept by magnetic levitation in a tube placed horizontally in a strong magnetic field are measured, including the oscillation frequency, the ponderomotive and dynamic elasticity coefficients, the magnetization curve, and the magnetic field strength and its gradient. Results of calculations for the model of ponderomotive elasticity for the examined sample of the magnetic fluid corrected for the resistance of the moving viscous fluid are in good agreement with the experimental magnetization curve. The described method is of interest for a study of magnetophoresis, nanoparticle aggregations, viscosity, and their time dependences in magnetic colloids.

  9. Accurate direct Eulerian simulation of dynamic elastic-plastic flow

    Energy Technology Data Exchange (ETDEWEB)

    Kamm, James R [Los Alamos National Laboratory; Walter, John W [Los Alamos National Laboratory

    2009-01-01

    The simulation of dynamic, large strain deformation is an important, difficult, and unsolved computational challenge. Existing Eulerian schemes for dynamic material response are plagued by unresolved issues. We present a new scheme for the first-order system of elasto-plasticity equations in the Eulerian frame. This system has an intrinsic constraint on the inverse deformation gradient. Standard Godunov schemes do not satisfy this constraint. The method of Flux Distributions (FD) was devised to discretely enforce such constraints for numerical schemes with cell-centered variables. We describe a Flux Distribution approach that enforces the inverse deformation gradient constraint. As this approach is new and novel, we do not yet have numerical results to validate our claims. This paper is the first installment of our program to develop this new method.

  10. Quasi-elastic neutron scattering studies of protein dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Rorschach, H.E.

    1991-03-20

    The techniques of X-ray and neutron scattering that have been so successfully applied to the study of the structure of biological macromolecules have in recent years been also used for the study of the thermal motion of these molecules. The diffraction of X-rays has been widely used to investigate the high-frequency motion of the heavy-atom residues of proteins. In these studies, the mean-square thermal amplitudes can be determined from the intensities of the sharp structural lines obtained from single crystals of the hydrated proteins. Similar information can be obtained on lighter atoms from the study of the neutron scattering from single crystals. The results of these measurements are coupled closely to the rapidly developing field of theoretical molecular dynamics which is now being applied to study the dynamics of large biological molecules. This report discusses research in this area.

  11. Dynamic Wrinkling and Strengthening of an Elastic Filament in a Viscous Fluid

    Science.gov (United States)

    Chopin, Julien; Dasgupta, Moumita; Kudrolli, Arshad

    2017-08-01

    We investigate the wrinkling dynamics of an elastic filament immersed in a viscous fluid submitted to compression at a finite rate with experiments and by combining geometric nonlinearities, elasticity, and slender body theory. The drag induces a dynamic lateral reinforcement of the filament leading to growth of wrinkles that coarsen over time. We discover a new dynamical regime characterized by a time scale with a nontrivial dependence on the loading rate, where the growth of the instability is superexponential and the wave number is an increasing function of the loading rate. We find that this time scale can be interpreted as the characteristic time over which the filament transitions from the extensible to the inextensible regime. In contrast with our analysis with moving boundary conditions, Biot's analysis in the limit of infinitely fast loading leads to rate independent exponential growth and wavelength.

  12. DYNAMIC BUCKLING OF ELASTIC-PLASTIC COLUMN IMPACTED BY RIGID BODY

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The dynamic buckling of an elastic-plastic column subjected to an axial impact by a rigid body was discussed by using the energy law. The traveling process of elastic-plastic waves under impact action was analyzed by characteristics method. The equation of lateral disturbance used to analyze the problem was developed by taking into account the effect of elastic-plastic stress wave. The power series solution of this problem has been the power series approach. The buckling criterion of this problem was proposed by analyzing the characteristics of the solution. The relationship among critical velocity and impact mass, critical buckling length, hardening modulus was given by using theoretical analysis and numerical computation.

  13. Investigations on molecular constants of the CD(X2Ⅱ) radical and elastic collisions between ground-state C and D atoms at low temperatures

    Institute of Scientific and Technical Information of China (English)

    Shi De-Heng; Zhang Jin-Ping; Sun Jin-Feng; Liu Yu-Fang; Zhu Zun-Lue

    2009-01-01

    The potential energy curve of the CD(X2Ⅱ) radical is obtained using the coupled-cluster singles-doublesapproximate-triples [CCSD(T)] theory in combination with the correlation-consistent quintuple basis set augmented with diffuse functions,aug-cc-pV5Z. The potential energy curve is fitted to the Murrell-Sorbie function,which is usedto determine the spectroscopic parameters. The obtained D0,De,Re,ωe,ωeXe,αe and Be values are 3.4971 eV,3.6261 eV,0.11197 nm,2097.661 cm-1,34.6963 cm-1,0.2083 cm-1 and 7.7962 cm-1,respectively,which conform almost perfectly to the available measurements. With the potential obtained at the UCCSD(T)/aug-cc-pV5Z level of theory,a total of 24 vibrational states have been predicted for the first time when J = 0 by solving the radial SchrSdinger equation of nuclear motion. The complete vibrational levels,the classical turning points,the inertial rotation constants and centrifugal distortion constants are reproduced from the CD(X2Ⅱ) potential when J = 0,and are in excellent agreement with the available measurements. The total and the various partial-wave cross sections are calculated for the elastic collisions between the ground-state C and D atoms at energies from 1.0× 10-11 to 1.0× 10-4 a.u. When the two atoms approach each other along the CD(X2Ⅱ) potential energy curve. Only one shape resonance is found in the total elastic cross sections,and the resonant energy is 8.36×10-6 a.u. The results show that the shape of the total elastic cross section is mainly dominated by the s partial wave at very low temperatures. Because of the weak shape resonances coming from higher partial waves,most of them are passed into oblivion by the strong total elastic cross sections.

  14. Elastic Modulus of 304 Stainless Steel Coating by Cold Gas Dynamic Spraying

    Institute of Scientific and Technical Information of China (English)

    2012-01-01

    304 stainless steel coating was deposited on the IF steel substrate by cold gas dynamic spraying (CGDS), and the elastic modulus of the 304 stainless steel coating was studied. The elastic modulus of cold sprayed 304 stain- less steel coating was measured using the three-point bend testing and the compound beam theory, and the other me- chanic parameters (such as the equivalent flexural rigidity and the moment of inertia of area) of the coatings were also calculated using this compound beam theory. It is found that the calculated results using the above methods are accu- rate and reliable. The elastic modulus value of the cold sprayed 304 stainless steel coating is 1. 179 X 105 MPa, and it is slightly lower than the 304 stainless steel plate (about 2 X 105 MPa). It indicates that the elastic modulus of the cold sprayed coatings was quite different from the comparable bulk materials. The main reason is that the pores and other defects are existed in the coatings, and the elastic modulus of the coatings also depends on varies parameters such as the feed stock particle size, porosity, and processing parameters.

  15. Dynamical friction in constant density cores: a failure of the Chandrasekhar formula

    CERN Document Server

    Read, J I; Moore, B; Pontzen, A P; Lake, J S G; Goerdt, Tobias; Moore, Ben; Lake, Joachim Stadel & George

    2006-01-01

    Using analytic calculations and N-body simulations we show that in constant density (harmonic) cores, sinking satellites undergo an initial phase of very rapid (super-Chandrasekhar) dynamical friction, after which they experience no dynamical friction at all. For density profiles with a central power law profile of log-slope, $-\\alpha$, the infalling satellite heats the background and causes $\\alpha$ to decrease. For $\\alpha < 0.5$ initially, the satellite generates a small central constant density core and stalls as in the $\\alpha = 0$ case. We discuss some astrophysical applications of our results to decaying satellite orbits, galactic bars and mergers of supermassive black hole binaries. In a companion paper we show that a central constant density core can provide a natural solution to the timing problem for Fornax's globular clusters.

  16. Renormalisation constants of quark bilinears in lattice QCD with four dynamical Wilson quarks

    NARCIS (Netherlands)

    Blossier, B.; Brinet, M.; Carrasco, N.; Dimopoulos, P.; Du, X.; Frezzotti, R.; Gimenez, V.; Herdoiza, G.; Jansen, K.; Lubicz, V.; Palao, D.; Pallante, E.; Pene, O.; Petrov, K.; Reker, S.; Rossi, G. C.; Sanfilippo, F.; Scorzato, L.; Simula, S.; Urbach, C.

    2011-01-01

    We present preliminary results of the non-perturbative computation of the RI-MOM renormalisation constants in a mass-independent scheme for the action with Iwasaki glue and four dynamical Wilson quarks employed by ETMC. Our project requires dedicated gauge ensembles with four degenerate sea quark

  17. A Note on "Stability of the Constant Cost Dynamic Lot Size Model" by K. Richter

    NARCIS (Netherlands)

    S. van Hoesel (Stan); A.P.M. Wagelmans (Albert)

    1991-01-01

    textabstractIn a paper by K. Richter the stability regions of the dynamic lot size model with constant cost parameters are analyzed. In particular, an algorithm is suggested to compute the stability region of a so-called generalized solution. In general this region is only a subregion of the stabili

  18. A Comparative Study of Elastic Constants of NiTi and NiAl Alloys from First-Principle Calculations

    Institute of Scientific and Technical Information of China (English)

    Jianmin Lu; Qingmiao Hu; Rui Yang

    2009-01-01

    To investigate the origin of the strong dependence of martensitic transformation temperature on composition,the elastic properties of high temperature B2 phases of both NiTi and NiAl were calculated by a first-principle method, the exact-muffin orbital method within coherent potential approximation. In the composition range of 50-56 at. pct Ni of NiTi and 60-70 at. pct Ni of NiAI in which martensitic transformation occurs, non-basalplane shear modulus c44 increases with increasing Ni content, while basal-plane shear modulus c' decreases.In the above composition ranges however the transformation temperature of NiAI increases with increasing Ni content while that of NiTi decreases from experimental observation. The softening of c' is experimentally observed only in NiAl, and the decrease of c' with increasing Ni content is responsible for the increase of transformation temperature. The result of the present work demonstrates that, besides c', c44 also influences the martensitic transformation of NiTi and plays quite important a role.

  19. Elastic collisions between Si and D atoms at low temperatures and accurate analytic potential energy function and molecular constants of the SiD(X2∏) radical

    Institute of Scientific and Technical Information of China (English)

    Shi De-Heng; Zhang Jin-Ping; Sun Jin-Feng; Zhu Zun-Lue

    2009-01-01

    Interaction potential of the SiD(X2∏) radical is constructed by using the CCSD(T) theory in combination with the largest correlation-consistent quintuple basis set augmented with the diffuse functions in the valence range. Using the interaction potential, the spectroscopic parameters are accurately determined. The present D0, De, Re, ωe, αe and Be values are of 3.0956 eV, 3.1863 eV, 0.15223 nm, 1472.894 cm-1, 0.07799 cm-1 and 3.8717 cm-1, respectively,which are in excellent agreement with the measurements. A total of 26 vibrational states is predicted when J = 0 by solving the radial Schr(o)dinger equation of nuclear motion. The complete vibrational levels, classical turning points,initial rotation and centrifugal distortion constants when J = 0 are reported for the first time, which are in good accord with the available experiments. The total and various partial-wave cross sections are calculated for the elastic collisions between Si and D atoms in their ground states at 1.0×10-11-1.0×10-3 a.u. when the two atoms approach each other along the SiD(X2∏) potential energy curve. Four shape resonances are found in the total elastic cross sections, and their resonant energies are of 1.73×10-5, 4.0×10-5, 6.45×10-5 and 5.5×10-4 a.u., respectively. Each shape resonance in the total elastic cross sections is carefully investigated. The results show that the shape of the total elastic cross sections is mainly dominated by the s partial wave at very low temperatures. Because of the weakness of the shape resonances coming from the higher partial waves, most of them are passed into oblivion by the strong s partial-wave elastic cross sections.

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

    Directory of Open Access Journals (Sweden)

    Shuhei Isami

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

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

    CERN Document Server

    Isami, Shuhei; Nishimori, Hiraku; Awazu, Akinori

    2015-01-01

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

  2. Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations.

    Science.gov (United States)

    Tadano, T; Gohda, Y; Tsuneyuki, S

    2014-06-04

    A systematic method to calculate anharmonic force constants of crystals is presented. The method employs the direct-method approach, where anharmonic force constants are extracted from the trajectory of first-principles molecular dynamics simulations at high temperature. The method is applied to Si where accurate cubic and quartic force constants are obtained. We observe that higher-order correction is crucial to obtain accurate force constants from the trajectory with large atomic displacements. The calculated harmonic and anharmonic force constants are, then, combined with the Boltzmann transport equation (BTE) and non-equilibrium molecular dynamics (NEMD) methods in calculating the thermal conductivity. The BTE approach successfully predicts the lattice thermal conductivity of bulk Si, whereas NEMD shows considerable underestimates. To evaluate the linear extrapolation method employed in NEMD to estimate bulk values, we analyze the size dependence in NEMD based on BTE calculations. We observe strong nonlinearity in the size dependence of NEMD in Si, which can be ascribed to acoustic phonons having long mean-free-paths and carrying considerable heat. Subsequently, we also apply the whole method to a thermoelectric material Mg2Si and demonstrate the reliability of the NEMD method for systems with low thermal conductivities.

  3. Structural, elastic constants, hardness, and optical properties of pyrite-type dinitrides (CN 2, SiN 2, GeN 2)

    Science.gov (United States)

    Ding, Y. C.; Xiang, A. P.; He, X. J.; Hu, X. F.

    2011-04-01

    The crystal structures, band structures, elastic constants, hardness, and optical properties of pyrite-type dinitrides (CN 2, SiN 2, and GeN 2) are obtained from the density functional theory using the plane-wave pseudopotential (PWP) method within the local density and generalized gradient approximations. The formation enthalpies for AN 2 (A=C, Si, and Ge) compounds suggest the three structures that are stable. The calculated band structures show the indirect gaps ( Γ-R) in CN 2, SiN 2, and GeN 2. The intrinsic hardnesses of AN 2 (A=C, Si, and Ge ) compounds are calculated. Our results show that the cubic CN 2 and SiN 2 are superhard materials. Furthermore, we studied the optical properties such as the complex dielectric function and the electron energy loss spectra.

  4. Apparatus for measurement of acoustic wave propagation under uniaxial loading with application to measurement of third-order elastic constants of piezoelectric single crystals.

    Science.gov (United States)

    Zhang, Haifeng; Kosinski, J A; Karim, Md Afzalul

    2013-05-01

    We describe an apparatus for the measurement of acoustic wave propagation under uniaxial loading featuring a special mechanism designed to assure a uniform mechanical load on a cube-shaped sample of piezoelectric material. We demonstrate the utility of the apparatus by determining the effects of stresses on acoustic wave speed, which forms a foundation for the final determination of the third-order elastic constants of langasite and langatate single crystals. The transit time method is used to determine changes in acoustic wave velocity as the loading is varied. In order to minimize error and improve the accuracy of the wave speed measurements, the cross correlation method is used to determine the small changes in the time of flight. Typical experimental results are presented and discussed.

  5. Applications of a tight-binding total energy method for transition and noble metals Elastic Constants, Vacancies, and Surfaces of Monatomic Metals

    CERN Document Server

    Mehl, M J; Mehl, Michael J.; Papaconstantopoulos, Dimitrios A.

    1996-01-01

    A recent tight-binding scheme provides a method for extending the results of first principles calculations to regimes involving $10^2 - 10^3$ atoms in a unit cell. The method uses an analytic set of two-center, non-orthogonal tight-binding parameters, on-site terms which change with the local environment, and no pair potential. The free parameters in this method are chosen to simultaneously fit band structures and total energies from a set of first-principles calculations for monatomic fcc and bcc crystals. To check the accuracy of this method we evaluate structural energy differences, elastic constants, vacancy formation energies, and surface energies, comparing to first-principles calculations and experiment. In most cases there is good agreement between this theory and experiment. We present a detailed account of the method, a complete set of tight-binding parameters, and results for twenty-nine of the alkaline earth, transition and noble metals.

  6. The event-driven constant volume method for particle coagulation dynamics

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Monte Carlo (MC) method, which tracks small numbers of the dispersed simulation parti- cles and then describes the dynamic evolution of large numbers of real particles, consti- tutes an important class of methods for the numerical solution of population balance modeling. Particle coagulation dynamics is a complex task for MC. Event-driven MC ex- hibits higher accuracy and efficiency than time-driven MC on the whole. However, these available event-driven MCs track the "equally weighted simulation particle population" and maintain the number of simulated particles within bounds at the cost of "regulating" com- putational domain, which results in some constraints and drawbacks. This study designed the procedure of "differently weighted fictitious particle population" and the corresponding coagulation rule for differently weighted fictitious particles. And then, a new event-driven MC method was promoted to describe the coagulation dynamics between differently weighted fictitious particles, where "constant number scheme" and "stepwise constant number scheme" were developed to maintain the number of fictitious particles within bounds as well as the constant computational domain. The MC is named event-driven constant volume (EDCV) method. The quantitative comparison among several popular MCs shows that the EDCV method has the advantages of computational precision and computational efficiency over other available MCs.

  7. The event-driven constant volume method for particle coagulation dynamics

    Institute of Scientific and Technical Information of China (English)

    ZHAO HaiBo; ZHENG ChuGuang

    2008-01-01

    Monte Carlo (MC) method, which tracks small numbers of the dispersed simulation parti-cles and then describes the dynamic evolution of large numbers of real particles, consti-tutes an important class of methods for the numerical solution of population balance modeling. Particle coagulation dynamics is a complex task for MC. Event-driven MC ex-hibits higher accuracy and efficiency than time-driven MC on the whole. However, these available event-driven MCs track the "equally weighted simulation particle population" and maintain the number of simulated particles within bounds at the cost of "regulating" com-putational domain, which results in some constraints and drawbacks. This study designed the procedure of "differently weighted fictitious particle population" and the corresponding coagulation rule for differently weighted fictitious particles. And then, a new event-driven MC method was promoted to describe the coagulation dynamics between differently weighted fictitious particles, where "constant number scheme" and "stepwise constant number scheme" were developed to maintain the number of fictitious particles within bounds as well as the constant computational domain. The MC is named event-driven constant volume (EDCV) method. The quantitative comparison among several popular MCs shows that the EDCV method has the advantages of computational precision and computational efficiency over other available MCs.

  8. DYNAMICAL FORMATION OF CAVITY IN TRANSVERSELY ISOTROPIC HYPER-ELASTIC SPHERES

    Institute of Scientific and Technical Information of China (English)

    任九生; 程昌钧

    2003-01-01

    The cavity formation in a radial transversely isotropic hyper-elastic sphere of an incompressible Ogden material, subjected to a suddenly applied uniform radial tensile boundary deadload, is studied following the theory of finite deformation dynamics. A cavity forms at the center of the sphere when the tensile load is greater than its critical value. It is proved that the evolution of the cavity radius with time follows that of nonlinear periodic oscillations.

  9. Time-varying tolls in a dynamic model of road traffic congestion with elastic demand

    OpenAIRE

    Verhoef, E.T.

    1997-01-01

    In this paper, a dynamic model of road traffic congestion is presented, with an elastic overall demand for morning peak road usage, and with the congestion technology used being 'flow congestion'. It is demonstrated that in such a case, the optimal time-varying toll should include a 'flat', time-invariant component when road users share the same desired arrival time. This has important consequences for the design of optimal toll schemes in reality, because it implies that optimal tolls cannot...

  10. Measurement of Elastic Modulus and Vickers Hardness of Surround Bone Implant Using Dynamic Microindentation - Parameters Definition

    OpenAIRE

    Soares,Priscilla Barbosa Ferreira; Nunes,Sarah Arantes; Franco,Sinésio Domingues; Pires, Raphael Rezende; Zanetta-Barbosa,Darceny; Soares, Carlos José

    2014-01-01

    The clinical performance of dental implants is strongly defined by biomechanical principles. The aim of this study was to quantify the Vicker's hardness (VHN) and elastic modulus (E) surround bone to dental implant in different regions, and to discuss the parameters of dynamic microindantion test. Ten cylindrical implants with morse taper interface (Titamax CM, Neodent; 3.5 mm diameter and 7 mm a height) were inserted in rabbit tibia. The mechanical properties were analyzed using microhardnes...

  11. Models for twistable elastic polymers in Brownian dynamics, and their implementation for LAMMPS

    CERN Document Server

    Brackley, C A; Marenduzzo, D

    2014-01-01

    An elastic rod model for semi-flexible polymers is presented. Theory for a continuum rod is reviewed, and it is shown that a popular discretised model used in numerical simulations gives the correct continuum limit. Correlation functions relating to both bending and twisting of the rod are derived for both continuous and discrete cases, and results are compared with numerical simulations. Finally, two possible implementations of the discretised model in the multi-purpose molecular dynamics software package LAMMPS are described.

  12. ELASTIC-PLASTIC DYNAMIC RESPONSE OF A CANTILEVER BEAM SUBJECTED TO OBLIQUE IMPACT AT ITS TIP

    Institute of Scientific and Technical Information of China (English)

    Xi Feng; Liu Feng

    2005-01-01

    By employing large deformation governing equations expressed in the form of finite difference, the dynamic responses of an elastic, perfectly plastic cantilever subjected to an oblique impact at its tip was numerically studied. Through analyzing the instantaneous distribution of the yield function (ψ= |M/Mo|+ (N/No)2), bending moment and axial force during the early stage of the response, the elastic-plastic deformation mechanism and the influence of axial component of an oblique impact on the dynamic response of a cantilever beam were discussed. The present analysis shows that the deformation mechanism of an elastic-plastic cantilever subjected to an obtained by using the rigid, perfectly plastic approach, the mode of shrinking plastic region that occurred instantly after the oblique impact and the mode of stationary hinge were both confirmed.The primary features of the deformation mechanism are captured by both analysis methods. It has also been found that the beam's deformation is mainly controlled by the axial component of the oblique impact in the early phase of the dynamic response, the deformation mechanism is obviously different from the case of a transverse impact. With further development of the response,the axial component attenuates rapidly and gives negligible contribution to the yielding of the beam cross-section. At the same time, the bending moments along the cantilever develop gradually and dominate the beam's deformation. The numerical results indicate that the mass, impact speed and oblique angle are the important factors that influence the elastic-plastic dynamic response of a cantilever beam.

  13. Renormalisation constants of quark bilinears in lattice QCD with four dynamical Wilson quarks

    CERN Document Server

    Blossier, B; Carrasco, N; Dimopoulos, P; Du, X; Frezzotti, R; Gimenez, V; Herdoiza, G; Jansen, K; Lubicz, V; Palao, D; Pallante, E; Pene, O; Petrov, K; Reker, S; Rossi, G C; Sanfilippo, F; Scorzato, L; Simula, S; Urbach, C

    2011-01-01

    We present preliminary results of the non-perturbative computation of the RI-MOM renormalisation constants in a mass-independent scheme for the action with Iwasaki glue and four dynamical Wilson quarks employed by ETMC. Our project requires dedicated gauge ensembles with four degenerate sea quark flavours at three lattice spacings and at several values of the standard and twisted quark mass parameters. The RI-MOM renormalisation constants are obtained from appropriate O(a) improved estimators extrapolated to the chiral limit.

  14. Renormalization constants for Wilson fermion lattice QCD with four dynamical flavours

    CERN Document Server

    Dimopoulos, P; Herdoiza, G; Jansen, K; Lubicz, V; Palao, D; Rossi, G C

    2010-01-01

    We report on an ongoing non-perturbative computation of RI-MOM scheme renormalization constants for the lattice action with four dynamical flavours currently in use by ETMC. For this goal dedicated simulations with four degenerate sea quark flavours are performed at several values of the standard and twisted quark mass parameters. We discuss a method for removing possible O(a) artifacts at all momenta and extrapolating renormalization constant estimators to the chiral limit. We give preliminary results at one lattice spacing.

  15. Dynamic Analysis of Kineto-Elastic Beam System with Second-order Effect

    Institute of Scientific and Technical Information of China (English)

    LU Nian-li; LUO Bing; XIA Yong-jun

    2009-01-01

    Dynamic equations of motional flexible beam elements were derived considering second-order effect. Non-linear finite element method and three-node Euler-Bernoulli beam elements were used. Because accuracy is higher in non-linear structural analysis, three-node beam elements are used to deduce shape functions and stiffness matrices in dynamic equations of flexible elements. Static condensation method was used to obtain the finial dynamic equations of three-node beam elements. According to geometrical relations of nodal displacements in concomitant and global coordinate system, dynamic equations of elements can be transformed to global coordinate system by concomitant coordinate method in order to build the global dynamic equations. Analyzed amplitude condition of flexible arm support of a port crane, the results show that second-order effect should be considered in kinetic-elastic analysis for heavy load machinery of big flexibility.

  16. Elastic Constants of Plane Orthotropic Elasticity

    DEFF Research Database (Denmark)

    Krenk, Steen

    1979-01-01

    The four independent material parameters of plane orthotropic elasti city are introduced as the effective stiffness, the effective Poisson ratio, the stiffness ratio and the shear parameter. It is proved that stress boundary value problems with zero resulting force on internal contours lead to st...

  17. Exploring Equivalent Elastic Constants of Functional Prismatic Sandwich Panel%功能型多孔夹层板的等效弹性常数研究

    Institute of Scientific and Technical Information of China (English)

    孟俊苗; 邓子辰; 张凯; 周加喜

    2014-01-01

    Under the condition that the strain energy of the periodic representative volume element ( RVE ) is e-quivalent to the elastic solid RVE, we improve the method for calculating the equivalent elastic constants by consid-ering the in-plane shear effect of a functional prismatic sandwich panel. The prismatic core is equalized to the aniso-tropic and homogenous material with the macroscopically equivalent elastic constants that are derived from the rela-tionship between strain and macro-strain of the Timoshenko beam theory. The effectiveness of the method is verified by comparing the structural response and the first five natural frequencies of a square prismatic sandwich panel with those of an equivalent sandwich panel;the verification results, given in Figs. 4, 5 and Table 1, and their analysis show preliminarily that our method that considers the in-plane shear effect can caculate more accurately.%基于应变能等效原理,将功能型多孔夹层板的夹芯层等效为均匀的各向异性材料,并通过考虑夹芯层的面内剪切作用,即将构成代表体单元的基元杆件考虑为Timoshenko梁,建立Timoshenko梁单元的应变和宏观应变之间的关系,得到等效固体代表体单元的应变能密度与宏观应变的关系,从而,给出相应的宏观等效弹性常数。最后,通过有限元方法计算实际正方形蜂窝夹层板和等效夹层板的结构响应和低阶振动频率,验证该方法的有效性,对比分析得知该方法较原方法具有更高的精度,说明考虑面内剪切作用的必要性。

  18. Dynamical Analysis of Long Fiber-Reinforced Laminated Plates with Elastically Restrained Edges

    Directory of Open Access Journals (Sweden)

    Liz G. Nallim

    2012-01-01

    Full Text Available This paper presents a variational formulation for the free vibration analysis of unsymmetrically laminated composite plates with elastically restrained edges. The study includes a micromechanics approach that allows starting the study considering each layer as constituted by long unidirectional fibers in a continuous matrix. The Mori-Tanaka method is used to predict the mechanical properties of each lamina as a function of the elastic properties of the components and of the fiber volume fraction. The resulting mechanical properties for each lamina are included in a general Ritz formulation developed to analyze the free vibration response of thick laminated anisotropic plates resting on elastic supports. Comprehensive numerical examples are computed to validate the present method, and the effects of the different mechanical and geometrical parameters on the dynamical behavior of different laminated plates are shown. New results for general unsymmetrical laminates with elastically restrained edges are also presented. The analytical approximate solution obtained in this paper can also be useful as a basis to deal with optimization problems under, for instance, frequency constraints.

  19. Servo-elastic dynamics of a hydraulic actuator pitching a blade with large deflections

    DEFF Research Database (Denmark)

    Hansen, Morten Hartvig; Kallesøe, Bjarne Skovmose

    2007-01-01

    This paper deals with the servo-elastic dynamics of a hydraulic pitch actuator acting on a largely bend wind turbine blade. The compressibility of the oil and flexibility of the hoses introduce a dynamic mode in the pitch bearing degree of freedom. This mode may obtain negative damping...... if the proportional gain on the actuator position error is defined too large relative to the viscous forces in the hydraulic system and the total rotational inertia of the pitch bearing degree of freedom. A simple expression for the stability limit of this proportional gain is derived for tuning the gain based...

  20. Implementation of a microcanonical variational transition state theory for direct dynamics calculations of rate constants

    Institute of Scientific and Technical Information of China (English)

    王艳; 钱英; 冯文林; 刘若庄

    2003-01-01

    An implementation of the variational quantum RRKM program is presented to utilize the direct ab initio dynamics approach for calculating k(E, J), k(E) and k(T) within the framework of the microcanonical transition state (μTST) and microcanonical variational TST (μVT) theories. An algorithm including tunneling contributions in Beyer-Swinehart method for calculating microcanonical rate constants is also proposed. An efficient piece-wise interpolation method is developed to evaluate the Boltzmann integral in calculation of thermal rate constants. Calculations on several test reactions, namely the H(D)2CO→H(D)2 + CO, CH2CO→CH2 + CO and CH4 + H→CH3 + H2 reactions, show that the results are in good agreement with the previous rate constants calculations. This approach would require much less computational resource.

  1. Activated dynamics in dense fluids of attractive nonspherical particles. II. Elasticity, barriers, relaxation, fragility, and self-diffusion.

    Science.gov (United States)

    Tripathy, Mukta; Schweizer, Kenneth S

    2011-04-01

    In paper II of this series we apply the center-of-mass version of Nonlinear Langevin Equation theory to study how short-range attractive interactions influence the elastic shear modulus, transient localization length, activated dynamics, and kinetic arrest of a variety of nonspherical particle dense fluids (and the spherical analog) as a function of volume fraction and attraction strength. The activation barrier (roughly the natural logarithm of the dimensionless relaxation time) is predicted to be a rich function of particle shape, volume fraction, and attraction strength, and the dynamic fragility varies significantly with particle shape. At fixed volume fraction, the barrier grows in a parabolic manner with inverse temperature nondimensionalized by an onset value, analogous to what has been established for thermal glass-forming liquids. Kinetic arrest boundaries lie at significantly higher volume fractions and attraction strengths relative to their dynamic crossover analogs, but their particle shape dependence remains the same. A limited universality of barrier heights is found based on the concept of an effective mean-square confining force. The mean hopping time and self-diffusion constant in the attractive glass region of the nonequilibrium phase diagram is predicted to vary nonmonotonically with attraction strength or inverse temperature, qualitatively consistent with recent computer simulations and colloid experiments.

  2. Modeling static and dynamic thermography of the human breast under elastic deformation

    Science.gov (United States)

    Jiang, Li; Zhan, Wang; Loew, Murray H.

    2011-01-01

    An abnormal thermogram has been shown to be a reliable indicator of increased risk of breast cancer. Numerical modeling techniques for thermography are proposed to quantify the complex relationships between the breast thermal behaviors and the underlying physiological/pathological conditions. Previous thermal modeling techniques did not account for gravity-induced elastic deformation arising from various body postures, nor did they suggest that a dynamic thermal procedure may be used to enhance clinical diagnosis. In this paper, 3D finite element method (FEM)-based thermal and elastic modeling techniques are developed to characterize comprehensively both the thermal and elastic properties of normal and tumorous breast tissues during static and dynamic thermography. In the steady state, gravity-induced breast deformation is found to cause an upper-lower asymmetric surface temperature contrast for sitting/standing up body posture, even though all the thermal and elastic properties are assumed uniform. Additionally, the tumor-induced surface temperature alterations are found to be caused primarily by shallow tumors and to be less sensitive to tumor size than to tumor depth. In the dynamic state, the breast exhibits distinctive temporal patterns that are associated with distinct thermal events: cold stress and thermal recovery induced by changes in the ambient temperature. Specifically, the tumor-induced thermal contrast shows an opposite initial change and delayed peak as compared with the deformation-induced thermal contrast. These findings are expected to provide a stronger foundation for, and greater specificity and precision in, thermographic diagnosis, and treatment of breast cancer.

  3. Structural model for the dynamic buckling of a column under constant rate compression

    CERN Document Server

    Kuzkin, Vitaly A

    2015-01-01

    Dynamic buckling behavior of a column (rod, beam) under constant rate compression is considered. The buckling is caused by prescribed motion of column ends toward each other with constant velocity. Simple model with one degree of freedom simulating static and dynamic buckling of a column is derived. In the case of small initial disturbances the model yields simple analytical dependencies between the main parameters of the problem: critical force, compression rate, and initial disturbance. It is shown that the time required for buckling is inversely proportional to cubic root of compression velocity and logarithmically depends on the initial disturbance. Analytical expression for critical buckling force as a function of compression velocity is derived. It is shown that in a range of compression rates typical for laboratory experiments the dependence is accurately approximated by a power law with exponent equal to $2/3$. Theoretical findings are supported by available results of laboratory experiments. Keywords...

  4. Constant-net-time headway as a key mechanism behind pedestrian flow dynamics.

    Science.gov (United States)

    Johansson, Anders

    2009-08-01

    We show that keeping a constant lower limit on the net-time headway is the key mechanism behind the dynamics of pedestrian streams. There is a large variety in flow and speed as functions of density for empirical data of pedestrian streams obtained from studies in different countries. The net-time headway, however, stays approximately constant over all these different data sets. By using this fact, we demonstrate how the underlying dynamics of pedestrian crowds, naturally follows from local interactions. This means that there is no need to come up with an arbitrary fit function (with arbitrary fit parameters) as has traditionally been done. Further, by using not only the average density values but the variance as well, we show how the recently reported stop-and-go waves [Helbing, Phys. Rev. E 75, 046109 (2007)] emerge when local density variations take values exceeding a certain maximum global (average) density, which makes pedestrians stop.

  5. Dynamics of a Vacuum Bianchi Type V Universe with an Arbitrary Cosmological Constant

    CERN Document Server

    Kohli, Ikjyot Singh

    2016-01-01

    In this paper, we describe the dynamics of a Bianchi Type V vacuum universe with an arbitrary cosmological constant. We begin by using an orthonormal frame approach to write Einstein's field equations as a coupled system of first-order ordinary differential equations. The equilibrium points of the resulting dynamical system were found to be expanding and contracting de Sitter universe solutions, a Minkowski spacetime solution, and static Anti-de Sitter universe solutions, which were characterized by a negative cosmological constant in addition to constant negative spatial curvature. While the expanding de Sitter universe solution was found to be globally stable for $\\Lambda > 0$, we also show that the AdS solution is globally stable for $\\Lambda < 0$. The work in this paper shows that it as at least plausible that the cosmological constant that we observe to be positive today may have had different, but, perhaps \\emph{discrete} values at different epochs in the history of the universe's evolution. That is,...

  6. Langevin equation with colored noise for constant-temperature molecular dynamics simulations.

    Science.gov (United States)

    Ceriotti, Michele; Bussi, Giovanni; Parrinello, Michele

    2009-01-16

    We discuss the use of a Langevin equation with a colored (correlated) noise to perform constant-temperature molecular dynamics. Since the equations of motion are linear in nature, it is easy to predict the response of a Hamiltonian system to such a thermostat and to tune at will the relaxation time of modes of different frequency. This allows one to optimize the time needed for equilibration and to generate independent configurations. We show how this frequency-dependent response can be exploited to control the temperature of Car-Parrinello-like dynamics without affecting the adiabatic separation of the electronic degrees of freedom from the vibrations of the ions.

  7. Microscopic Rate Constants of Crystal Growth from Molecular Dynamic Simulations Combined with Metadynamics

    Directory of Open Access Journals (Sweden)

    Dániel Kozma

    2012-01-01

    Full Text Available Atomistic simulation of crystal growth can be decomposed into two steps: the determination of the microscopic rate constants and a mesoscopic kinetic Monte Carlo simulation. We proposed a method to determine kinetic rate constants of crystal growth. We performed classical molecular dynamics on the equilibrium liquid/crystal interface of argon. Metadynamics was used to explore the free energy surface of crystal growth. A crystalline atom was selected at the interface, and it was displaced to the liquid phase by adding repulsive Gaussian potentials. The activation free energy of this process was calculated as the maximal potential energy density of the Gaussian potentials. We calculated the rate constants at different interfacial structures using the transition state theory. In order to mimic real crystallization, we applied a temperature difference in the calculations of the two opposite rate constants, and they were applied in kinetic Monte Carlo simulation. The novelty of our technique is that it can be used for slow crystallization processes, while the simple following of trajectories can be applied only for fast reactions. Our method is a possibility for determination of elementary rate constants of crystal growth that seems to be necessary for the long-time goal of computer-aided crystal design.

  8. HUBBLE CONSTANT, LENSING, AND TIME DELAY IN RELATIVISTIC MODIFIED NEWTONIAN DYNAMICS

    Energy Technology Data Exchange (ETDEWEB)

    Tian, Yong [Department of Physics, National Central University, Jhongli, Taiwan 320 (China); Ko, Chung-Ming [Institute of Astronomy, Department of Physics and Center for Complex Systems, National Central University, Jhongli, Taiwan 320 (China); Chiu, Mu-Chen, E-mail: yonngtian@gmail.com, E-mail: cmko@astro.ncu.edu.tw, E-mail: mcc@roe.ac.uk [Scottish University Physics Alliance, Institute for Astronomy, the Royal Observatory, University of Edinburgh, Blackford Hill, Edinburgh, EH9 3HJ (United Kingdom)

    2013-06-20

    The time delay in galaxy gravitational lensing systems has been used to determine the value of the Hubble constant. As with other dynamical phenomena on the galaxy scale, dark matter is often invoked in gravitational lensing to account for the 'missing mass' (the apparent discrepancy between the dynamical mass and the luminous mass). Alternatively, modified gravity can be used to explain the discrepancy. In this paper, we adopt the tensor-vector-scalar gravity (TeVe S), a relativistic version of Modified Newtonian Dynamics, to study gravitational lensing phenomena and derive the formulae needed to evaluate the Hubble constant. We test our method on quasar lensing by elliptical galaxies in the literature. We focus on double-image systems with time delay measurement. Three candidates are suitable for our study: HE 2149-2745, FBQ J0951+2635, and SBS 0909+532. The Hubble constant obtained is consistent with the value used to fit the cosmic microwave background result in a neutrino cosmological model.

  9. Applications of DSP to Explicit Dynamic FEA Simulations of Elastically-Dominated Impact Problems

    Directory of Open Access Journals (Sweden)

    Ted Diehl

    2000-01-01

    Full Text Available Explicit Dynamic Finite Element techniques are increasingly used for simulating impact events of personal electronic devices such as portable phones and laptop computers. Unfortunately, the elastically-dominated impact behavior of these devices greatly increases the tendency of Explicit Dynamic methods to calculate noisy solutions containing high-frequency ringing, especially for acceleration and contact-force data. For numerous reasons, transient FEA results are often improperly recorded by the analyst, causing corruption by aliasing. If aliasing is avoided, other sources of distortion can still occur. For example, filtering or decimating Explicit Dynamic data typically requires extremely small normalized cutoff frequencies that can cause significant numerical problems for common DSP programs such as MATLAB. This paper presents techniques to combat the unique DSP-related challenges of Explicit Dynamic data and then demonstrates them on a very challenging transient problem of a steel ball impacting a plastic LCD display in a portable phone, correlating simulation and experimental results.

  10. Modeling the dynamics of a tracer particle in an elastic active gel.

    Science.gov (United States)

    Ben-Isaac, E; Fodor, É; Visco, P; van Wijland, F; Gov, Nir S

    2015-07-01

    The internal dynamics of active gels both in artificial (in vitro) model systems and inside the cytoskeleton of living cells has been extensively studied with experiments of recent years. These dynamics are probed using tracer particles embedded in the network of biopolymers together with molecular motors, and distinct nonthermal behavior is observed. We present a theoretical model of the dynamics of a trapped active particle, which allows us to quantify the deviations from equilibrium behavior, using both analytic and numerical calculations. We map the different regimes of dynamics in this system and highlight the different manifestations of activity: breakdown of the virial theorem and equipartition, different elasticity-dependent "effective temperatures," and distinct non-Gaussian distributions. Our results shed light on puzzling observations in active gel experiments and provide physical interpretation of existing observations, as well as predictions for future studies.

  11. Quasi-Hamiltonian principle of liquid-filled elastic body dynamics

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Liquid-filled elastic body dynamics is an important branch of fluid-solid coupling mechanics. It deals with the study of motion of a body and the liquid contained in the body under the interaction between the two,for example,a liquid-filled satellite,a fuel tank of an airplane,etc. The research on liquid-filled elastic body dynamics is usually done by the variational method since the method has a feature of treating things as a whole. Considering the elastic motion of the liquid-filled body and the surface tension effect on the liquid-gas interface,liquid-solid interface and gas-solid interface,the present paper establishes a quasi-Hamiltonian variational principle for the above-mentioned system. After finding the stationary-value conditions of its functional obtained,a complete system of governing equations consisting of the stationary value conditions,preconditions and constraint conditions is established,and then the equations are reduced into some known ones in a special case.

  12. Dynamic analysis of new type elastic screen surface with multi degree of freedom and experimental validation

    Institute of Scientific and Technical Information of China (English)

    宋宝成; 刘初升; 彭利平; 李珺

    2015-01-01

    A feasible method was proposed to improve the vibration intensity of screen surface via application of a new type elastic screen surface with multi degree of freedom (NTESSMDF). In the NTESSMDF, the primary robs were coupled to the main screen structure with ends embedded into the elastomers, and the secondary robs were attached to adjacent two primary robs with elastic bands. The dynamic model of vibrating screen with NTESSMDF was established based on Lagrange’s equation and the equivalent stiffnesses of the elastomer and elastic band were calculated. According to numerical simulation using the 4th order Runge-Kutta method, the vibration intensity of screen surface can be enhanced substantially with an averaged acceleration amplitude increasing ratio of 72.36%. The primary robs and secondary robs vibrate inversely in steady state, which would result in the friability of materials and avoid stoppage. The experimental results validate the dynamic characteristics with acceleration amplitude rising by 62.93%on average, which demonstrates the feasibility of NTESSMDF.

  13. Dynamics of pre-strained bi-material elastic systems linearized three-dimensional approach

    CERN Document Server

    Akbarov, Surkay D

    2015-01-01

    This book deals with dynamics of pre-stressed or pre-strained bi-material elastic systems consisting of stack of pre-stressed layers, stack of pre-stressed layers and pre-stressed half space (or half plane), stack of pre-stressed layers as well as absolute rigid foundation, pre-stressed compound solid and hollow cylinders and pre-stressed sandwich hollow cylinders. The problems considered in the book relate to the dynamics of a moving and oscillating moving load, forced vibration caused by linearly located or point located time-harmonic forces acting to the foregoing systems. Moreover, a considerable part of the book relate to the problems regarding the near surface, torsional and axisymmetric longitudinal waves propagation and dispersion in the noted above bi-material elastic systems. The book carries out the investigations within the framework of the piecewise homogeneous body model with the use of the Three-Dimensional Linearized Theory of Elastic Waves in Initially Stressed Bodies.

  14. THE DYNAMIC BUCKLING OF ELASTIC-PLASTIC COLUMN SUBJECTED TO AXIAL IMPACT BY A RIGID BODY

    Institute of Scientific and Technical Information of China (English)

    Han Zhijun; Wang Jingchao; Cheng Guoqiang; Ma Hongwei; Zhang Shanyuan

    2005-01-01

    The dynamic buckling of an elastic-plastic column subjected to axial impact by a rigid body has been discussed in this paper. The whole traveling process of elastic-plastic waves under impact action is analyzed with the characteristics method. The regularity of stress changes in both column ends and the first separating time of a rigid body and column are obtained. By using the energy principle and taking into account the propagation and reflection of stress waves the lateral disturbance equation is derived and the power series solution is given. In addition,the critical buckling condition can be obtained from the stability analysis of the solution. By numerical computation and analysis, the relationship among critical velocity and impact mass,hardening modulus, and buckling time is given.

  15. Dynamic torsional buckling of multi-walled carbon nanotubes embedded in an elastic medium

    Institute of Scientific and Technical Information of China (English)

    Chengqi Sun; Kaixin Liu; Guoxing Lu

    2008-01-01

    In this paper the dynamic torsional buckling of multi-walled carbon nanotubes (MWNTs) embedded in an elastic medium is studied by using a continuum mechan-ics model. By introducing initial imperfections for MWNTs and applying the preferred mode analytical method, a buck-ling condition is derived for the buckling load and associ-ated buckling mode. In particular, explicit expressions are obtained for embedded double-walled carbon nanotubes (DWNTs). Numerical results show that, for both the DWNTs and embedded DWNTs, the buckling form shifts from the lower buckling mode to the higher buckling mode with increasing the buckling load, but the buckling mode is invari-able for a certain domain of the buckling load. It is also indicated that, the surrounding elastic medium generally has effect on the lower buckling mode of DWNTs only when compared with the corresponding one for individual DWNTs.

  16. Quasi-elastic neutron scattering studies of the slow dynamics of supercooled and glassy aspirin

    Science.gov (United States)

    Zhang, Yang; Tyagi, Madhusudan; Mamontov, Eugene; Chen, Sow-Hsin

    2012-02-01

    Aspirin, also known as acetylsalicylic acid (ASA), is not only a wonderful drug, but also a good glass former. Therefore, it serves as an important molecular system to study the near-arrest and arrested phenomena. In this paper, a high-resolution quasi-elastic neutron scattering (QENS) technique is used to investigate the slow dynamics of supercooled liquid and glassy aspirin from 410 down to 350 K. The measured QENS spectra can be analyzed with a stretched exponential model. We find that (i) the stretched exponent β(Q) is independent of the wavevector transfer Q in the measured Q range and (ii) the structural relaxation time τ(Q) follows a power-law dependence on Q. Consequently, the Q-independent structural relaxation time τ0 can be extracted for each temperature to characterize the slow dynamics of aspirin. The temperature dependence of τ0 can be fitted with the mode-coupling power law, the Vogel-Fulcher-Tammann equation and a universal equation for fragile glass forming liquids recently proposed by Tokuyama in the measured temperature range. The calculated dynamic response function χT(Q, t) using the experimentally determined self-intermediate scattering function of the hydrogen atoms of aspirin shows direct evidence of the enhanced dynamic fluctuations as the aspirin is increasingly supercooled, in agreement with the fixed-time mean squared displacement langx2rang and the non-Gaussian parameter α2 extracted from the elastic scattering.

  17. Quasi-Elastic Neutron Scattering Studies of the Slow Dynamics of Supercooled and Glassy Aspirin

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yang [ORNL; Tyagi, M. [NCNR and University of Maryland; Mamontov, Eugene [ORNL; Chen, Sow-hsin H [ORNL

    2011-01-01

    Aspirin, also known as acetylsalicylic acid (ASA), is not only a wonderful drug, but also a good glass former. Therefore, it serves as an important molecular system to study the near-arrest and arrested phenomena. In this paper, a high-resolution quasi-elastic neutron scattering (QENS) technique is used to investigate the slow dynamics of supercooled liquid and glassy aspirin from 410 K down to 350 K. The measured QENS spectra can be analyzed with a stretched exponential model. We find that (i) the stretched exponent (Q) is independent of the wave vector transfer Q in the measured Q-range, and (ii) the structural relaxation time (Q) follows a power law dependence on Q. Consequently, the Q-independent structural relaxation time 0 can be extracted for each temperature to characterize the slow dynamics of aspirin. The temperature dependence of 0 can be fitted with the mode coupling power law, the Vogel-Fulcher-Tammann equation and a universal equation for fragile glass forming liquids recently proposed by M. Tokuyama in the measured temperature range. The calculated dynamic response function T(Q,t) using the experimentally determined self-intermediate scattering function of the hydrogen atoms of aspirin shows a direct evidence of the enhanced dynamic fluctuations as the aspirin is increasingly supercooled, in agreement with the fixed-time mean squared displacement x2 and non-Gaussian parameter 2 extracted from the elastic scattering.

  18. Gravitational domain walls and the dynamics of the gravitational constant G

    Science.gov (United States)

    Bunster, Claudio; Gomberoff, Andrés

    2017-07-01

    From the point of view of elementary particle physics, the gravitational constant G is extraordinarily small. This has led to asking whether it could have decayed to its present value from an initial one commensurate with microscopical units. A mechanism that leads to such a decay is proposed herein. It is based on assuming that G may take different values within regions of the universe separated by a novel kind of domain wall, a "G -wall." The idea is implemented by introducing a gauge potential Aμ ν ρ, and its conjugate D , which determines the value of G as an integration constant rather than a fundamental constant. The value of G jumps when one goes through a G -wall. The procedure extends one previously developed for the cosmological constant, but the generalization is far from straightforward: (i) The intrinsic geometry of a G -wall is not the same as seen from its two sides because the second law of black hole thermodynamics mandates that the jump in G must cause a discontinuity in the scale of length. (ii) The size of the decay step in G is controlled by a function G (D ) which may be chosen so as to diminish the value of G towards the asymptote G =0 . It is shown that: (i) The dynamics of the gravitational field with G treated as a dynamical variable, coupled to G -walls and matter, follows from an action principle, which is given. (ii) A particle that impinges on a G -wall may be refracted or reflected. (iii) The various forces between two particles change when a G -wall is inserted in between them. (iv) G -walls may be nucleated trough tunneling and thermal effects, whose semiclassical probabilities are evaluated. (v) If the action principle is constructed properly, the entropy of a black hole increases when the value of the gravitational constant is changed through the absorption of a G-wall by the hole.

  19. Explicit analytical solutions for liquid infiltration into capillary tubes: dynamic and constant contact angle.

    Science.gov (United States)

    Hilpert, Markus

    2010-04-01

    We derive new analytical solutions for liquid infiltration into a gas-filled capillary tube, whose inlet is connected to a liquid reservoir held at a constant pressure. We generalize the Lucas-Washburn theory to account for a model for dynamic contact angle that assumes the nonequilibrium Young force to depend linearly on the velocity of the gas-liquid interface. Like Lucas and Washburn, we neglect inertial forces. Using the Lambert function, we derive explicit analytical solutions for the interface position, velocity, and acceleration as a function of time. Consistent with previous work, which used more general models for dynamic contact angle, we can distinguish between five infiltration scenarios: horizontal infiltration, upward infiltration (capillary rise), as well as steady-state, accelerating, and decelerating downward infiltration. We determine the mutually exclusive conditions for the different infiltration scenarios to occur in terms of the nondimensional parameters that define the problem. Moreover, we develop 2D and 3D diagrams that show which parameter combination results in which infiltration scenario. Our analytical solutions are also valid in the limit where the dynamic contact angle becomes constant. For a constant contact angle, accelerating downward infiltration occurs only if the initial interface is not located at the tube inlet but further down the tube. For the special case in which the contact angle is constant, the liquid pressure at the tube inlet is equal to the gas pressure, and the interface is initially located at the tube inlet, our solution for upward infiltration is identical to a solution previously reported in the literature.

  20. MULTIPLE SCATTERING AND DYNAMIC STRESS ANALYSIS OF ELASTIC WAVES IN A FIBER-REINFORCED COMPOSITE WITH INTERFACES

    Institute of Scientific and Technical Information of China (English)

    李凤明; 胡超; 徐敏强; 黄文虎

    2003-01-01

    Based on the theory of elastic dynamics,multiple scattering of elastic waves and dynamic stress concentrations in fiber-reinforced composite are studied.The analytical expressions of elastic waves in different regions are presented.The mode coefficients of elastic waves are determined in accordance with the continuous conditions of displacement and stress on the boundary of the multiinterfaces.By using the addition theorem of Hankel functions,the formula of scattered wave fields in different local coordinates are transformed into those in one local coordinate to determine the unknown coefficients and dynamic stress concentration factors (DSCFs).The influences of the distance between two inclusions,material properties and structural size on the DSCFs near the interfaces are analyzed.As examples,the numerical results of DSCFs near the interfaces for two kinds of fiber-reinforced composites are presented and discussed.

  1. ASYMPTOTIC ANALYSIS OF DYNAMIC PROBLEMS FOR LINEARLY ELASTIC SHELLS JUSTIFICATION OF EQUATIONS FOR DYNAMIC KOITER SHELLS

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Under certain conditions, the dynamic equatioins of membrane shells and the dynamic equations of flexural shells are obtained from dynamic equations of Koiter shells by the method of asymptotic analysis.

  2. Charge-Neutral Constant pH Molecular Dynamics Simulations Using a Parsimonious Proton Buffer.

    Science.gov (United States)

    Donnini, Serena; Ullmann, R Thomas; Groenhof, Gerrit; Grubmüller, Helmut

    2016-03-08

    In constant pH molecular dynamics simulations, the protonation states of titratable sites can respond to changes of the pH and of their electrostatic environment. Consequently, the number of protons bound to the biomolecule, and therefore the overall charge of the system, fluctuates during the simulation. To avoid artifacts associated with a non-neutral simulation system, we introduce an approach to maintain neutrality of the simulation box in constant pH molecular dynamics simulations, while maintaining an accurate description of all protonation fluctuations. Specifically, we introduce a proton buffer that, like a buffer in experiment, can exchange protons with the biomolecule enabling its charge to fluctuate. To keep the total charge of the system constant, the uptake and release of protons by the buffer are coupled to the titration of the biomolecule with a constraint. We find that, because the fluctuation of the total charge (number of protons) of a typical biomolecule is much smaller than the number of titratable sites of the biomolecule, the number of buffer sites required to maintain overall charge neutrality without compromising the charge fluctuations of the biomolecule, is typically much smaller than the number of titratable sites, implying markedly enhanced simulation and sampling efficiency.

  3. Hamiltonian replica exchange combined with elastic network analysis to enhance global domain motions in atomistic molecular dynamics simulations.

    Science.gov (United States)

    Ostermeir, Katja; Zacharias, Martin

    2014-12-01

    Coarse-grained elastic network models (ENM) of proteins offer a low-resolution representation of protein dynamics and directions of global mobility. A Hamiltonian-replica exchange molecular dynamics (H-REMD) approach has been developed that combines information extracted from an ENM analysis with atomistic explicit solvent MD simulations. Based on a set of centers representing rigid segments (centroids) of a protein, a distance-dependent biasing potential is constructed by means of an ENM analysis to promote and guide centroid/domain rearrangements. The biasing potentials are added with different magnitude to the force field description of the MD simulation along the replicas with one reference replica under the control of the original force field. The magnitude and the form of the biasing potentials are adapted during the simulation based on the average sampled conformation to reach a near constant biasing in each replica after equilibration. This allows for canonical sampling of conformational states in each replica. The application of the methodology to a two-domain segment of the glycoprotein 130 and to the protein cyanovirin-N indicates significantly enhanced global domain motions and improved conformational sampling compared with conventional MD simulations.

  4. Dynamic Control of Maximal Ventricular Elastance in Conscious Dogs Before and After Pacing-Induced Heart Failure

    Science.gov (United States)

    Chen, Xiaoxiao; Sala-Mercado, Javier A.; Hammond, Robert L.; Kim, Jong-Kyung; McDonald, Phillip J.; Stephenson, Larry W.; Soltani, Soroor; O'Leary, Donal S.; Mukkamala, Ramakrishna

    2010-01-01

    We identified the transfer functions relating beat-to-beat fluctuations in arterial blood pressure to maximal ventricular elastance (ABP→Emax) and beat-to-beat fluctuations in heart rate to Emax (HR→Emax) to characterize the dynamic properties of the arterial ventricular contractility baroreflex and force-frequency relation, respectively, in three conscious dogs before and after pacing-induced heart failure. During the control condition, the average gain value, dominant time constant, and time delay were respectively -0.0374 ml-1, 12.8 sec, and 2 sec for the ABP→Emax transfer function and 0.0137 mmHg/ml-bpm, 1.77 sec, and 0 sec for the HR→Emax transfer function. During the heart failure condition, both transfer functions were markedly depressed. These results are consistent with known physiology and previous studies and provide perhaps the first quantitative information on the dynamic control of Emax during normal closed-loop operation. PMID:19963897

  5. Theoretical research and experimental validation of elastic dynamic load spectra on bogie frame of high-speed train

    Science.gov (United States)

    Zhu, Ning; Sun, Shouguang; Li, Qiang; Zou, Hua

    2016-05-01

    When a train runs at high speeds, the external exciting frequencies approach the natural frequencies of bogie critical components, thereby inducing strong elastic vibrations. The present international reliability test evaluation standard and design criteria of bogie frames are all based on the quasi-static deformation hypothesis. Structural fatigue damage generated by structural elastic vibrations has not yet been included. In this paper, theoretical research and experimental validation are done on elastic dynamic load spectra on bogie frame of high-speed train. The construction of the load series that correspond to elastic dynamic deformation modes is studied. The simplified form of the load series is obtained. A theory of simplified dynamic load-time histories is then deduced. Measured data from the Beijing-Shanghai Dedicated Passenger Line are introduced to derive the simplified dynamic load-time histories. The simplified dynamic discrete load spectra of bogie frame are established. Based on the damage consistency criterion and a genetic algorithm, damage consistency calibration of the simplified dynamic load spectra is finally performed. The computed result proves that the simplified load series is reasonable. The calibrated damage that corresponds to the elastic dynamic discrete load spectra can cover the actual damage at the operating conditions. The calibrated damage satisfies the safety requirement of damage consistency criterion for bogie frame. This research is helpful for investigating the standardized load spectra of bogie frame of high-speed train.

  6. Elastic responses of underground circular arches considering dynamic soil-structure interaction: A theoretical analysis

    Science.gov (United States)

    Chen, Hai-Long; Jin, Feng-Nian; Fan, Hua-Lin

    2013-02-01

    Due to the wide applications of arches in underground protective structures, dynamic analysis of circular arches including soil-structure interactions is important. In this paper, an exact solution of the forced vibration of circular arches subjected to subsurface denotation forces is obtained. The dynamic soil-structure interaction is considered with the introduction of an interfacial damping between the structure element and the surrounding soil into the equation of motion. By neglecting the influences of shear, rotary inertia and tangential forces and assuming the arch incompressible, the equations of motion of the buried arches were set up. Analytical solutions of the dynamic responses of the protective arches were deduced by means of modal superposition. Arches with different opening angles, acoustic impedances and rise-span ratios were analyzed to discuss their influences on an arch. The theoretical analysis suggests blast loads for elastic designs and predicts the potential failure modes for buried protective arches.

  7. Dynamic Modeling and Control of Electromechanical Coupling for Mechanical Elastic Energy Storage System

    Directory of Open Access Journals (Sweden)

    Yang Yu

    2013-01-01

    Full Text Available The structural scheme of mechanical elastic energy storage (MEES system served by permanent magnet synchronous motor (PMSM and bidirectional converters is designed. The aim of the research is to model and control the complex electromechanical system. The mechanical device of the complex system is considered as a node in generalized coordinate system, the terse nonlinear dynamic model of electromechanical coupling for the electromechanical system is constructed through Lagrange-Maxwell energy method, and the detailed deduction of the mathematical model is presented in the paper. The theory of direct feedback linearization (DFL is applied to decouple the nonlinear dynamic model and convert the developed model from nonlinear to linear. The optimal control theory is utilized to accomplish speed tracking control for the linearized system. The simulation results in three different cases show that the proposed nonlinear dynamic model of MEES system is correct; the designed algorithm has a better control performance in contrast with the conventional PI control.

  8. User Manual and Source Code for a LAMMPS Implementation of Constant Energy Dissipative Particle Dynamics (DPD-E)

    Science.gov (United States)

    2014-06-01

    User Manual and Source Code for a LAMMPS Implementation of Constant Energy Dissipative Particle Dynamics ( DPD -E) by James P. Larentzos...Energy Dissipative Particle Dynamics ( DPD -E) James P. Larentzos Engility Corporation John K. Brennan, Joshua D. Moore, and William D. Mattson...Constant Energy Dissipative Particle Dynamics ( DPD -E) 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) James P

  9. Dynamic cancellation of a cosmological constant and approach to the Minkowski vacuum

    Science.gov (United States)

    Klinkhamer, F. R.; Volovik, G. E.

    2016-08-01

    The q-theory approach to the cosmological constant problem is reconsidered. The new observation is that the effective classical q-theory gets modified due to the back-reaction of quantum-mechanical particle production by spacetime curvature. Furthermore, a Planck-scale cosmological constant is added to the potential term of the action density, in order to represent the effects from zero-point energies and phase transitions. The resulting dynamical equations of a spatially-flat Friedmann-Robertson-Walker universe are then found to give a steady approach to the Minkowski vacuum, with attractor behavior for a finite domain of initial boundary conditions on the fields. The approach to the Minkowski vacuum is slow and gives rise to an inflation-type increase of the particle horizon.

  10. Soft Dynamics simulation. 2. Elastic spheres undergoing a T(1) process in a viscous fluid.

    Science.gov (United States)

    Rognon, P; Gay, C

    2009-11-01

    Robust empirical constitutive laws for granular materials in air or in a viscous fluid have been expressed in terms of timescales based on the dynamics of a single particle. However, some behaviours such as viscosity bifurcation or shear localization, observed also in foams, emulsions, and block copolymer cubic phases, seem to involve other micro-timescales which may be related to the dynamics of local particle reorganizations. In the present work, we consider a T(1) process as an example of a rearrangement. Using the Soft Dynamics simulation method introduced in the first paper of this series, we describe theoretically and numerically the motion of four elastic spheres in a viscous fluid. Hydrodynamic interactions are described at the level of lubrication (Poiseuille squeezing and Couette shear flow) and the elastic deflection of the particle surface is modeled as Hertzian. The duration of the simulated T(1) process can vary substantially as a consequence of minute changes in the initial separations, consistently with predictions. For the first time, a collective behaviour is thus found to depend on a parameter other than the typical volume fraction of particles.

  11. Elastic Wave-equation Reflection Traveltime Inversion Using Dynamic Warping and Wave Mode Decomposition

    KAUST Repository

    Wang, T.

    2017-05-26

    Elastic full waveform inversion (EFWI) provides high-resolution parameter estimation of the subsurface but requires good initial guess of the true model. The traveltime inversion only minimizes traveltime misfits which are more sensitive and linearly related to the low-wavenumber model perturbation. Therefore, building initial P and S wave velocity models for EFWI by using elastic wave-equation reflections traveltime inversion (WERTI) would be effective and robust, especially for the deeper part. In order to distinguish the reflection travletimes of P or S-waves in elastic media, we decompose the surface multicomponent data into vector P- and S-wave seismogram. We utilize the dynamic image warping to extract the reflected P- or S-wave traveltimes. The P-wave velocity are first inverted using P-wave traveltime followed by the S-wave velocity inversion with S-wave traveltime, during which the wave mode decomposition is applied to the gradients calculation. Synthetic example on the Sigbee2A model proves the validity of our method for recovering the long wavelength components of the model.

  12. Fourier and wavelet spectral analysis of EMG signals in supramaximal constant load dynamic exercise.

    Science.gov (United States)

    Camata, Thiago V; Dantas, Jose L; Abrao, Taufik; Brunetto, Maria A C; Moraes, Antonio C; Altimari, Leandro R

    2010-01-01

    Frequency domain analyses of changes in electromyographic (EMG) signals over time are frequently used to assess muscle fatigue. Fourier based approaches are typically used in these analyses, yet Fourier analysis assumes signal stationarity, which is unlikely during dynamic contractions. Wavelet based methods of signal analysis do not assume stationarity and may be more appropriate for joint time-frequency domain analysis. The purpose of this study was to compare Short-Time Fourier Transform (STFT) and Continuous Wavelet Transform (CWT) in assessing muscle fatigue in supramaximal constant load dynamic exercise (110% VO(2peak)). The results of this study indicate that CWT and STFT analyses give similar fatigue estimates (slope of median frequency) in supramaximal constant load dynamic exercise (P>0.05). However, the results of the variance was significantly lower for at least one of the muscles studied in CWT compared to STFT (P signal analysis using STFT. Thus, the stationarity assumption may not be the sole factor responsible for affecting the Fourier based estimates.

  13. Fourier and wavelet spectral analysis of EMG signals in maximal constant load dynamic exercise.

    Science.gov (United States)

    Costa, Marcelo V; Pereira, Lucas A; Oliveira, Ricardo S; Pedro, Rafael E; Camata, Thiago V; Abrao, Taufik; Brunetto, Maria A C; Altimari, Leandro R

    2010-01-01

    Frequency domain analyses of changes in electromyographic (EMG) signals over time are frequently used to assess muscle fatigue. Fourier based approaches are typically used in these analyses, yet Fourier analysis assumes signal stationarity, which is unlikely during dynamic contractions. Wavelet based methods of signal analysis do not assume stationarity and may be more appropriate for joint time-frequency domain analysis. The purpose of this study was to compare Short-Time Fourier Transform (STFT) and Continuous Wavelet Transform (CWT) in assessing muscle fatigue in maximal constant load dynamic exercise (100% W(max)). The results of this study indicate that CWT and STFT analyses give similar fatigue estimates (slope of median frequency) in maximal constant load dynamic exercise (P>0.05). However, the results of the variance was significantly lower for at least one of the muscles studied in CWT compared to STFT (P〈0.05) indicating more variability in the EMG signal analysis using STFT. Thus, the stationarity assumption may not be the sole factor responsible for affecting the Fourier based estimates.

  14. A method for estimation of elasticities in metabolic networks using steady state and dynamic metabolomics data and linlog kinetics

    Directory of Open Access Journals (Sweden)

    van Gulik Walter M

    2006-12-01

    Full Text Available Abstract Background Dynamic modeling of metabolic reaction networks under in vivo conditions is a crucial step in order to obtain a better understanding of the (disfunctioning of living cells. So far dynamic metabolic models generally have been based on mechanistic rate equations which often contain so many parameters that their identifiability from experimental data forms a serious problem. Recently, approximative rate equations, based on the linear logarithmic (linlog format have been proposed as a suitable alternative with fewer parameters. Results In this paper we present a method for estimation of the kinetic model parameters, which are equal to the elasticities defined in Metabolic Control Analysis, from metabolite data obtained from dynamic as well as steady state perturbations, using the linlog kinetic format. Additionally, we address the question of parameter identifiability from dynamic perturbation data in the presence of noise. The method is illustrated using metabolite data generated with a dynamic model of the glycolytic pathway of Saccharomyces cerevisiae based on mechanistic rate equations. Elasticities are estimated from the generated data, which define the complete linlog kinetic model of the glycolysis. The effect of data noise on the accuracy of the estimated elasticities is presented. Finally, identifiable subset of parameters is determined using information on the standard deviations of the estimated elasticities through Monte Carlo (MC simulations. Conclusion The parameter estimation within the linlog kinetic framework as presented here allows the determination of the elasticities directly from experimental data from typical dynamic and/or steady state experiments. These elasticities allow the reconstruction of the full kinetic model of Saccharomyces cerevisiae, and the determination of the control coefficients. MC simulations revealed that certain elasticities are potentially unidentifiable from dynamic data only

  15. Acute effects of dynamic stretching exercise on power output during concentric dynamic constant external resistance leg extension.

    Science.gov (United States)

    Yamaguchi, Taichi; Ishii, Kojiro; Yamanaka, Masanori; Yasuda, Kazunori

    2007-11-01

    The purpose of the present study was to clarify the acute effect of dynamic stretching exercise on muscular performance during concentric dynamic constant external resistance (DCER, formally called isotonic) muscle actions under various loads. Concentric DCER leg extension power outputs were measured in 12 healthy male students after 2 types of pretreatment. The pretreatments were: (a) dynamic stretching treatment including 2 types of dynamic stretching exercises of leg extensors and the other 2 types of dynamic stretching exercises simulating the leg extension motion (2 sets of 15 times each with 30-second rest periods between sets; total duration: about 8 minutes), and (b) nonstretching treatment by resting for 8 minutes in a sitting position. Loads during measurement of the power output were set to 5, 30, and 60% of the maximum voluntary contractile (MVC) torque with isometric leg extension in each subject. The power output after the dynamic stretching treatment was significantly (p after the nonstretching treatment under each load (5% MVC: 468.4 +/- 102.6 W vs. 430.1 +/- 73.0 W; 30% MVC: 520.4 +/- 108.5 W vs. 491.0 +/- 93.0 W; 60% MVC: 487.1 +/- 100.6 W vs. 450.8 +/- 83.7 W). The present study demonstrated that dynamic stretching routines, such as dynamic stretching exercise of target muscle groups and dynamic stretching exercise simulating the actual motion pattern, significantly improve power output with concentric DCER muscle actions under various loads. These results suggested that dynamic stretching routines in warm-up protocols enhance power performance because common power activities are carried out by DCER muscle actions under various loads.

  16. Raman spectroscopic determination of the length, strength, compressibility, Debye temperature, elasticity, and force constant of the C-C bond in graphene.

    Science.gov (United States)

    Yang, X X; Li, J W; Zhou, Z F; Wang, Y; Yang, L W; Zheng, W T; Sun, Chang Q

    2012-01-21

    From the perspective of bond relaxation and bond vibration, we have formulated the Raman phonon relaxation of graphene, under the stimuli of the number-of-layers, the uni-axial strain, the pressure, and the temperature, in terms of the response of the length and strength of the representative bond of the entire specimen to the applied stimuli. Theoretical unification of the measurements clarifies that: (i) the opposite trends of the Raman shifts, which are due to the number-of-layers reduction, of the G-peak shift and arises from the vibration of a pair of atoms, while the D- and the 2D-peak shifts involve the z-neighbor of a specific atom; (ii) the tensile strain-induced phonon softening and phonon-band splitting arise from the asymmetric response of the C(3v) bond geometry to the C(2v) uni-axial bond elongation; (iii) the thermal softening of the phonons originates from bond expansion and weakening; and (iv) the pressure stiffening of the phonons results from bond compression and work hardening. Reproduction of the measurements has led to quantitative information about the referential frequencies from which the Raman frequencies shift as well as the length, energy, force constant, Debye temperature, compressibility and elastic modulus of the C-C bond in graphene, which is of instrumental importance in the understanding of the unusual behavior of graphene.

  17. Cosmological constant vis-à-vis dynamical vacuum: Bold challenging the ΛCDM

    Science.gov (United States)

    Solà, Joan

    2016-08-01

    Next year we will celebrate 100 years of the cosmological term, Λ, in Einstein’s gravitational field equations, also 50 years since the cosmological constant problem was first formulated by Zeldovich, and almost about two decades of the observational evidence that a nonvanishing, positive, Λ-term could be the simplest phenomenological explanation for the observed acceleration of the Universe. This mixed state of affairs already shows that we do no currently understand the theoretical nature of Λ. In particular, we are still facing the crucial question whether Λ is truly a fundamental constant or a mildly evolving dynamical variable. At this point the matter should be settled once more empirically and, amazingly enough, the wealth of observational data at our disposal can presently shed true light on it. In this short review, I summarize the situation of some of these studies. It turns out that the Λ = const. hypothesis, despite being the simplest, may well not be the most favored one when we put it in hard-fought competition with specific dynamical models of the vacuum energy. Recently, it has been shown that the overall fit to the cosmological observables SNIa+BAO+H(z)+LSS+BBN+CMB do favor the class of “running” vacuum models (RVM’s) — in which Λ = Λ(H) is a function of the Hubble rate — against the “concordance” ΛCDM model. The support is at an unprecedented level of ˜ 4σ and is backed up with Akaike and Bayesian criteria leading to compelling evidence in favor of the RVM option and other related dynamical vacuum models. I also address the implications of this framework on the possible time evolution of the fundamental constants of Nature.

  18. Time-varying identification of ankle dynamic joint stiffness during movement with constant muscle activation.

    Science.gov (United States)

    Guarin, Diego L; Kearney, Robert E

    2015-01-01

    Dynamic joint stiffness defines the torque generated at the joint in response to position perturbations. Dynamic stiffness is modulated by the angular position and the muscle activation level, making it difficult to estimate during large movements and/or time-varying muscle contractions. This paper presents a new methodology for estimating dynamic joint stiffness during movement and muscle activation. For this, we formulate a novel, nonlinear, dynamic joint stiffness model and present a new algorithm to estimate its parameters. The algorithm assumes that the variability in the model parameters is a function of the mean joint position. Using this methodology we estimated the dynamic joint stiffness at the ankle throughout ramp and hold displacements during a constant muscle contraction. The estimated model accurately predicted the intrinsic and reflex torques produced at the ankle as a response to small position perturbations during large displacement with muscle activation. Preliminary results show that during muscle contraction, ankle intrinsic stiffness estimated during movement is significantly lower than that estimated during quasi-stationary experiments.

  19. Decay constants of B-mesons from non-perturbative HQET with two light dynamical quarks

    DEFF Research Database (Denmark)

    Bernardoni, F.; Blossier, B.; Bulava, J.;

    2014-01-01

    We present a computation of B-meson decay constants from lattice QCD simulations within the framework of Heavy Quark Effective Theory for the b-quark. The next-to-leading order corrections in the HQET expansion are included non-perturbatively. Based on Nf=2 gauge field ensembles, covering three...... limits. Our final results read fB=186(13)MeV, fBs=224(14)MeV and fBs/fB=1.203(65). A comparison with other results in the literature does not reveal a dependence on the number of dynamical quarks, and effects from truncating HQET appear to be negligible....

  20. Slow Dynamics in Berea Sandstone: a Non-logarithmic Relaxation at Early Times Revealed by Dynamic Acousto-Elasticity.

    Science.gov (United States)

    Riviere, J. V.; Shokouhi, P.; Marone, C.; Elsworth, D.; Guyer, R. A.; Johnson, P. A.

    2015-12-01

    We study nonlinear elastic/acoustic phenomena in rocks at the laboratory scale, with the goal of understanding observations at crustal scales, for instance during strong ground motion and earthquake slip processes. In particular, a long-term goal is to relate microstructure of rocks/gouge to nonlinear acoustic properties. A dynamic perturbation with modest (i.e. acoustic) strain amplitude (10-6 Berea sandstone to explore short-term relaxation, down to 10-4s (DAE is the dynamic equivalent of measuring acoustic velocity as a function of applied pressure). We find that early recovery does not follow a logarithmic law, while some earlier studies based on resonance techniques and at times larger than 1s do exhibit log(t)-recovery. From this non-log(t) dataset, we extract a spectrum of relaxation rates and discuss the potential relation between characteristic rates and rock microstructure. We also discuss the possible links between transient elastic softening and transient increase in permeability due to dynamic perturbation.

  1. Dynamics of a Ivlev-type predator-prey system with constant rate harvesting

    Energy Technology Data Exchange (ETDEWEB)

    Ling Li [Institute of Nonlinear Analysis, College of Mathematics and Information Science, Wenzhou University, Wenzhou 325035 (China); Wang Weiming [Institute of Nonlinear Analysis, College of Mathematics and Information Science, Wenzhou University, Wenzhou 325035 (China)], E-mail: weimingwang2003@163.com

    2009-08-30

    In this paper, by using the analysis of qualitative method and bifurcation theory, we investigate the dynamical properties of the Ivlev-type predator-prey model with nonzero constant prey harvesting and with or without time delay, respectively. It is shown that the system we considered can exhibit the subcritical and supercritical Hopf bifurcation. We also study the effect of the time delay on the dynamics of the system. By choosing the delay {tau} as a bifurcation parameter, we show that Hopf bifurcation can occur as the delay {tau} crosses some critical values. The direction and stability of the Hopf bifurcation are investigated by following the procedure of deriving normal form given by Faria and Magalhaes. Finally, numerical simulations are performed to illustrate the obtained results.

  2. Quasi-elastic neutron scattering studies of protein dynamics. Progress report, November 1, 1992--May 25, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Rorschach, H.E.

    1993-05-25

    Results that shed new light on the study of protein dynamics were obtained by quasi-elastic neutron scattering. The triple axis instrument H-9 supplied by the cold source was used to perform a detailed study of the quasi-elastic spectrum and the Debye-Waller factor for trypsin in powder form, in solution, and in crystals. A preliminary study of myoglobin crystals was also done. A new way to view the results of quasi-elastic scattering experiments is sketched, and the data on trypsin are presented and analyze according to this new picture.

  3. Constant pH molecular dynamics of proteins in explicit solvent with proton tautomerism.

    Science.gov (United States)

    Goh, Garrett B; Hulbert, Benjamin S; Zhou, Huiqing; Brooks, Charles L

    2014-07-01

    pH is a ubiquitous regulator of biological activity, including protein-folding, protein-protein interactions, and enzymatic activity. Existing constant pH molecular dynamics (CPHMD) models that were developed to address questions related to the pH-dependent properties of proteins are largely based on implicit solvent models. However, implicit solvent models are known to underestimate the desolvation energy of buried charged residues, increasing the error associated with predictions that involve internal ionizable residue that are important in processes like hydrogen transport and electron transfer. Furthermore, discrete water and ions cannot be modeled in implicit solvent, which are important in systems like membrane proteins and ion channels. We report on an explicit solvent constant pH molecular dynamics framework based on multi-site λ-dynamics (CPHMD(MSλD)). In the CPHMD(MSλD) framework, we performed seamless alchemical transitions between protonation and tautomeric states using multi-site λ-dynamics, and designed novel biasing potentials to ensure that the physical end-states are predominantly sampled. We show that explicit solvent CPHMD(MSλD) simulations model realistic pH-dependent properties of proteins such as the Hen-Egg White Lysozyme (HEWL), binding domain of 2-oxoglutarate dehydrogenase (BBL) and N-terminal domain of ribosomal protein L9 (NTL9), and the pKa predictions are in excellent agreement with experimental values, with a RMSE ranging from 0.72 to 0.84 pKa units. With the recent development of the explicit solvent CPHMD(MSλD) framework for nucleic acids, accurate modeling of pH-dependent properties of both major class of biomolecules-proteins and nucleic acids is now possible.

  4. Non-pneumatic mechanical elastic wheel natural dynamic characteristics and influencing factors

    Institute of Scientific and Technical Information of China (English)

    ZHAO You-qun; ZANG Li-guo; CHEN Yue-qiao; LI Bo; WANG Jian

    2015-01-01

    Non-pneumatic tire appears to have advantages over traditional pneumatic tire in terms of flat proof and maintenance free. A mechanical elastic wheel (MEW) with a non-pneumatic elastic outer ring which functions as air of pneumatic tire was presented. The structure of MEW was non-inflatable integrated configuration and the effect of hinges was accounted for only in tension. To establish finite element model of MEW, various nonlinear factors, such as geometrical nonlinearity, material nonlinearity and contact nonlinearity, were considered. Load characteristic test was conducted by tyre dynamic test-bed to obtain force-deflection curve. And the finite element model was validated through load characteristic test. Natural dynamic characteristics of the MEW and its influencing factors were investigated based on the finite element model. Simulation results show that the finite element model closely matched experimental wheel. The results also show that natural frequency is related to ground constraints, material properties, loads and torques. Influencing factors as above obviously affect the amplitude of mode of vibration, but have little effect on mode of vibration shape. The results can provide guidance for experiment research, structural optimization of MEW.

  5. Elastic neutron scattering study of water dynamics in ion-exchanged type-A zeolites.

    Science.gov (United States)

    Corsaro, C; Crupi, V; Longo, F; Majolino, D; Venuti, V; Wanderlingh, U

    2005-12-01

    With the aim to investigate, by means of elastic neutron scattering, the effects produced by the cation substitution on the dynamics of water in zeolites, we measured, using a neutron backscattering spectrometer, the temperature dependence of mean-square atomic displacements [u2] derived from window integrated quasielastic spectra of fully and partially hydrated Na-A and Mg50-A zeolites. The results, collected in the 20-273 K temperature range, reveal that, at low temperature, the [u2] shows a harmonic trend independent of hydration and cation substitution, and, at higher temperatures, the onset of a non-Gaussian dynamics of the elastic intensity. This latter takes place at T approximately 200 K and approximately 150 K for fully and partially hydrated samples, respectively. This behavior has been interpreted in terms of reorientational jumps of H atoms described by two-site processes within an asymmetric double-minimum potential. In spite of its simplicity, the model seems to reproduce the rearrangement of the hydrogen bond network of zeolitic water. The fit results indicate a reduced proton mobility by diminishing the water content and by the induced Na+-->Mg2+ ion exchange, in agreement with previous incoherent quasielastic neutron scattering results at higher temperatures.

  6. DYNAMICAL FORMATION OF CAVITY IN A COMPOSED HYPER-ELASTIC SPHERE

    Institute of Scientific and Technical Information of China (English)

    任九生; 程昌钧

    2004-01-01

    The dynamical formation of cavity in a hyper-elastic sphere composed of two materials with the incompressible strain energy function, subjected to a suddenly applied uniform radial tensile boundary dead-load, was studied following the theory of finite deformation dynamics. Besides a trivial solution corresponding to the homogeneous static state, a cavity forms at the center of the sphere when the tensile load is larger than its critical value. An exact differential relation between the cavity radius and the tensile land was obtained. It is proved that the evolution of cavity radius with time displays nonlinear periodic oscillations. The phase diagram for oscillation, the maximum amplitude, the approximate period and the critical load were all discussed.

  7. Dynamical and elastic properties of MgSiO3 perovskite (bridgmanite)

    Science.gov (United States)

    Wehinger, Björn; Bosak, Alexeï; Nazzareni, Sabrina; Antonangeli, Daniele; Mirone, Alessandro; Chaplot, Samrath Lal; Mittal, Ranjan; Ohtani, Eiji; Shatskiy, Anton; Saxena, Surendra; Ghose, Subrata; Krisch, Michael

    2016-03-01

    We report on the lattice dynamics of MgSiO3 perovskite (bridgmanite). Phonon spectroscopy was performed employing inelastic X-ray scattering from single crystals, and the results were confronted to ab initio calculations. We observe a remarkable agreement between experiment and theory, and provide accurate results for phonon dispersion relations, the vibrational density of states, and the full elasticity tensor. The present work constitutes an important milestone fully validating the lattice dynamics calculation against precise experimental evidence and marks a starting point to extend this kind of combined studies to the high-pressure and high-temperature conditions directly relevant for the physical properties and chemical composition of Earth's lower mantle.

  8. Controlling the influence of elastic eigenmodes on nanomagnet dynamics through pattern geometry

    Science.gov (United States)

    Berk, C.; Yahagi, Y.; Dhuey, S.; Cabrini, S.; Schmidt, H.

    2017-03-01

    The effect of the nanoscale array geometry on the interaction between optically generated surface acoustic waves (SAWs) and nanomagnet dynamics is investigated using Time-Resolved Magneto-Optical Kerr Effect Microscopy (TR-MOKE). It is demonstrated that altering the nanomagnet geometry from a periodic to a randomized aperiodic pattern effectively removes the magneto-elastic effect of SAWs on the magnetization dynamics. The efficiency of this method depends on the extent of any residual spatial correlations and is quantified by spatial Fourier analysis of the two structures. Randomization allows observation and extraction of intrinsic magnetic parameters such as spin wave frequencies and damping to be resolvable using all-optical methods, enabling the conclusion that the fabrication process does not affect the damping.

  9. Chinese Calligraphy Word Spotting Using Elastic HOG Feature and Derivative Dynamic Time Warping

    Institute of Scientific and Technical Information of China (English)

    Yong Xia; Zhi-Bo Yang; Kuan-Quan Wang

    2014-01-01

    Chinese calligraphy is a very special style of handwriting and direct character recognition is very difficult. Content-based keyword spotting is more feasible than recognition-based retrieval for calligraphy document. In this paper, we propose a novel Elastic Histogram of Oriented Gradient ( EHOG) descriptor for calligraphy word spotting. The presented feature is a modification of Histogram of Oriented Gradient (HOG), widely used in human detection. In our approach, the input word image is partitioned into non-uniform rectangular cells according to the calligraphy character pixel intensity, and then in each cell a histogram of orientation is accumulated dynamically. Moreover, we adopt Derivative Dynamic Time Warping ( DDTW) for image feature matching, which achieves good performance in gesture recognition. Experiments demonstrate a very significant improvement when comparing our proposed feature with previously developed ones, and also show DDTW produces superior alignments between two calligraphy character feature series than DTW.

  10. Liquid withdrawal from capillary tubes: explicit and implicit analytical solution for constant and dynamic contact angle.

    Science.gov (United States)

    Hilpert, Markus

    2010-11-01

    In a preceding paper, we derived analytical solutions for the displacement of a gas by a liquid in horizontal and inclined capillary tubes where the tube inlet is connected to a liquid reservoir of constant pressure. We considered quite general models for the dynamic contact angle and were able to derive implicit equations for the velocity of the gas-liquid interface. These solutions allowed us to identify five different flow scenarios for liquid withdrawal that differed in the direction of flow and the sign of the acceleration of the gas-liquid interface. In this paper, we consider the special case where the dynamic contact angle is determined by a nonequilibrium Young force that depends linearly on the capillary number. Thus we can derive explicit and the more traditional implicit analytical solutions for both the position and the velocity of the gas-liquid interface. We also construct diagrams that allow us to predict which of the five flow scenarios will occur depending on the nondimensional parameters that define the problem. The diagrams can be combined with diagrams previously obtained for infiltration and the entire parameter space subdivided into regions that are associated with either liquid withdrawal, liquid infiltration, or metastable and stable equilibrium states. Our solutions are also valid within the limit where the contact angle is constant.

  11. 电阻应变法测定杉木弹性常数的研究%Study on Determining the Elastic Constants of Wood of Cunninghamia lanceolata by Means of Electric Resistance-Strain Gauges

    Institute of Scientific and Technical Information of China (English)

    邵卓平; 祝山

    2001-01-01

    The elastic constants of wood of Cunninghamia lanceolata was determined and the limits of orthotropic model adopted for wood was studied. The results showed that the elastic constants of wood could be determined by means of electric resistance-strain gauges,and the constants was satisfied to the limits of orthotropic.%测试杉木的弹性常数,研究木材采用正交各向异性体模型的限制条件。结果表明,可以采用电阻应变法以单轴压缩试件测定木材弹性常数;所测木材弹性常数满足正交各向异性材料的限制条件。

  12. Translational and rotational dynamics of water contained in aged Portland cement pastes studied by quasi-elastic neutron scattering.

    Science.gov (United States)

    Li, Hua; Zhang, Li-Li; Yi, Zhou; Fratini, Emiliano; Baglioni, Piero; Chen, Sow-Hsin

    2015-08-15

    Cement is a widely used construction material in the world. The quality and durability of aged cement pastes have a strong relationship with the water contained in it. The translational and rotational dynamics of water in ordinary Portland cement (OPC) pastes cured for 7, 14 and 30days were studied by analyzing Quasi-elastic Neutron Scattering (QENS) data. The effect of a new super-plasticizer (SP) additive was also studied by comparing the samples with and without the additive. By fitting the QENS spectra with the Jump-diffusion and Rotation-diffusion Model (JRM), six important parameters including the bound water index (BWI), the self-diffusion coefficient, D(t), the average residence time, τ0, the rotational diffusion constant, D(r), the rotational residence time, τ(r), and the mean squared displacement (MSD), 〈u(2)〉, were obtained. From these parameters, we can quantitatively follow the evolution of the bound water fraction (BWI). We can clearly see the different time ranges for the translational and rotational dynamics of water contained in the OPC pastes by τ0 and τ(r). From the MSD values compared with those of molecular dynamics simulation, we can distinguish between immobile water (mainly bound water) and mobile water, which includes confined water and ultraconfined water. Furthermore, by the fitted parameters' values and their change of slopes with increasing setting time for cement pastes with and without additive SP, it becomes clear that the effect of additive SP is to make the mobile water more confined and induce a more uniform the aging process during the evolution of the OPC pastes.

  13. 常弹性方差模型下保险人的最优投资策略%Insurer's optimal investment strategy under constant elasticity of variance model

    Institute of Scientific and Technical Information of China (English)

    荣喜民; 范立鑫

    2012-01-01

    Research insurance funds investment based on constant elasticity of variance (CEV) model, consider a model which the risky asset is modeled by CEV model and the aggregate claims are modeled by a Brownian motion with drift. As employment of premium is different from ordinary, which means that the insurer should keep an eye on underwrite risk when he use insurance funds, assume that investment risk has a linear correlation with underwrite risk. According to stochastic control theory, derive the HJB equation related with insurance problem. This equation is non-linear partial differential equation, yet it is difficult to solve it, change primary problem to the dual problem by using Legendre transform. Through setting the parameter values, the optimal investment strategy for an insurer with CARA or CRRA utility function is presented and the relevant analysis is given, which provides important practical significance for an insurer to invest.%假设风险资产价格服从常弹性方差(CEV)模型,保险人面临的风险过程是带漂移的布朗运动.投资过程与承保风险过程完全相关.根据随机最优控制理论,建立保险基金投资问题的HJB方程.由于该方程是非线性偏微分方程,不易求解,因此采用Legendre变换将其转换成对偶问题进行研究.最后针对特定参数值分别得到以CARA和CRRA效用函数为目标的保险人的最优投资策略,这样的投资策略更符合金融市场的实际要求.

  14. Dynamic earthquake rupture simulations on nonplanar faults embedded in 3D geometrically complex, heterogeneous elastic solids

    Energy Technology Data Exchange (ETDEWEB)

    Duru, Kenneth, E-mail: kduru@stanford.edu [Department of Geophysics, Stanford University, Stanford, CA (United States); Dunham, Eric M. [Department of Geophysics, Stanford University, Stanford, CA (United States); Institute for Computational and Mathematical Engineering, Stanford University, Stanford, CA (United States)

    2016-01-15

    Dynamic propagation of shear ruptures on a frictional interface in an elastic solid is a useful idealization of natural earthquakes. The conditions relating discontinuities in particle velocities across fault zones and tractions acting on the fault are often expressed as nonlinear friction laws. The corresponding initial boundary value problems are both numerically and computationally challenging. In addition, seismic waves generated by earthquake ruptures must be propagated for many wavelengths away from the fault. Therefore, reliable and efficient numerical simulations require both provably stable and high order accurate numerical methods. We present a high order accurate finite difference method for: a) enforcing nonlinear friction laws, in a consistent and provably stable manner, suitable for efficient explicit time integration; b) dynamic propagation of earthquake ruptures along nonplanar faults; and c) accurate propagation of seismic waves in heterogeneous media with free surface topography. We solve the first order form of the 3D elastic wave equation on a boundary-conforming curvilinear mesh, in terms of particle velocities and stresses that are collocated in space and time, using summation-by-parts (SBP) finite difference operators in space. Boundary and interface conditions are imposed weakly using penalties. By deriving semi-discrete energy estimates analogous to the continuous energy estimates we prove numerical stability. The finite difference stencils used in this paper are sixth order accurate in the interior and third order accurate close to the boundaries. However, the method is applicable to any spatial operator with a diagonal norm satisfying the SBP property. Time stepping is performed with a 4th order accurate explicit low storage Runge–Kutta scheme, thus yielding a globally fourth order accurate method in both space and time. We show numerical simulations on band limited self-similar fractal faults revealing the complexity of rupture

  15. Interfacial layers from the protein HFBII hydrophobin: dynamic surface tension, dilatational elasticity and relaxation times.

    Science.gov (United States)

    Alexandrov, Nikola A; Marinova, Krastanka G; Gurkov, Theodor D; Danov, Krassimir D; Kralchevsky, Peter A; Stoyanov, Simeon D; Blijdenstein, Theodorus B J; Arnaudov, Luben N; Pelan, Eddie G; Lips, Alex

    2012-06-15

    The pendant-drop method (with drop-shape analysis) and Langmuir trough are applied to investigate the characteristic relaxation times and elasticity of interfacial layers from the protein HFBII hydrophobin. Such layers undergo a transition from fluid to elastic solid films. The transition is detected as an increase in the error of the fit of the pendant-drop profile by means of the Laplace equation of capillarity. The relaxation of surface tension after interfacial expansion follows an exponential-decay law, which indicates adsorption kinetics under barrier control. The experimental data for the relaxation time suggest that the adsorption rate is determined by the balance of two opposing factors: (i) the barrier to detachment of protein molecules from bulk aggregates and (ii) the attraction of the detached molecules by the adsorption layer due to the hydrophobic surface force. The hydrophobic attraction can explain why a greater surface coverage leads to a faster adsorption. The relaxation of surface tension after interfacial compression follows a different, square-root law. Such behavior can be attributed to surface diffusion of adsorbed protein molecules that are condensing at the periphery of interfacial protein aggregates. The surface dilatational elasticity, E, is determined in experiments on quick expansion or compression of the interfacial protein layers. At lower surface pressures (<11 mN/m) the experiments on expansion, compression and oscillations give close values of E that are increasing with the rise of surface pressure. At higher surface pressures, E exhibits the opposite tendency and the data are scattered. The latter behavior can be explained with a two-dimensional condensation of adsorbed protein molecules at the higher surface pressures. The results could be important for the understanding and control of dynamic processes in foams and emulsions stabilized by hydrophobins, as well as for the modification of solid surfaces by adsorption of such

  16. Possibilités actuelles du calcul des constantes élastiques de polymères par des méthodes de simulation atomistique Current Possibilities of the Computation of Elastic Constants of Polymers Using Atomistic Simulations

    Directory of Open Access Journals (Sweden)

    Dal Maso F.

    2006-12-01

    Full Text Available Les propriétés élastiques des phases amorphe et cristalline pures de polymères semi-cristallins ne sont en général pas mesurables directement avec les moyens physiques habituels. Il est donc nécessaire de recourir à des méthodes de calcul numérique. Cet article décrit certaines de ces méthodes, fondées sur des modélisations atomistiques, ainsi qu'une évaluation des implémentations actuelles. Il est montré que la méthode proposée par Zehnder et al. (1996 fournit les meilleurs résultats, au prix d'un temps long de calcul, dû à la dynamique moléculaire. Néanmoins, aucune de ces méthodes n'est vraiment utilisable simplement au jour le jour, car elles requièrent des moyens importants de calcul. Elastic properties of pure crystalline and amorphous phases of a semicrystalline polymer are usually not directly measurable by usual physical means. It therefore is necessary to resort to numerical computing methods. This paper describes some of these methods, based on atomistic simulations, as well as an assessment of current implementations. It is shown that the method proposed by Zehnder et al. (1996 gives the best results, at the expense of long computing time, due to molecular dynamic simulation. Nevertheless none of these methods are really usable on a daily basis, since there are demanding important computing capabilities.

  17. Molecular dynamics investigation of the elastic and fracture properties of the R-graphyne under uniaxial tension

    Energy Technology Data Exchange (ETDEWEB)

    Rouhi, Saeed, E-mail: s_rouhi@iaul.ac.ir

    2017-05-15

    In this paper, the mechanical properties of the R-graphynes are investigated by using molecular dynamics simulations. For this purpose, the uniaxial strain is applied on the nanosheets. The effects of R-graphyne chirality and dimension on their fracture and elastic properties are investigated. It is shown that the fracture properties of the armchair R-graphyne are approximately independent from the nanosheet sizes. However, a clear dependence is observed in the fracture properties of the zigzag R-graphyne on the nanosheet dimensions. Comparing the elastic modulus of the armchair and zigzag R-graphynes, it is shown that for the same sizes, the elastic modulus of armchair R-graphyne is approximately equal to 2.5 times of the elastic modulus of the zigzag ones. Pursuing the fracture process of R-graphynes with different chiralities, it is represented that the fracture propagates in the zigzag nanosheet with a higher velocity than the armchair ones.

  18. Dynamics and stabilization of peak current-mode controlled buck converter with constant current load

    Institute of Scientific and Technical Information of China (English)

    冷敏瑞; 周国华; 张凯暾; 李振华

    2015-01-01

    The discrete iterative map model of peak current-mode controlled buck converter with constant current load (CCL), containing the output voltage feedback and ramp compensation, is established in this paper. Based on this model the com-plex dynamics of this converter is investigated by analyzing bifurcation diagrams and the Lyapunov exponent spectrum. The effects of ramp compensation and output voltage feedback on the stability of the converter are investigated. Experimental results verify the simulation and theoretical analysis. The stability boundary and chaos boundary are obtained under the theoretical conditions of period-doubling bifurcation and border collision. It is found that there are four operation regions in the peak current-mode controlled buck converter with CCL due to period-doubling bifurcation and border-collision bifur-cation. Research results indicate that ramp compensation can extend the stable operation range and transfer the operating mode, and output voltage feedback can eventually eliminate the coexisting fast-slow scale instability.

  19. Nonergodic dynamics of nuclear spin 1/2 with equal constants of spin-spin interaction

    CERN Document Server

    Rudavets, M G

    2002-01-01

    The exact solution of the nuclear spins polarization evolution in the system with the similar q-constant spin-spin interaction (SSI) between all spin pairs is obtained in the case when only one (the first) spin was polarized at the initial time moment. It is shown that polarization of the first spin P sub 1 (t) has the form of periodical pulsations in the time with the 4 pi/g period. The P sub 1 (t) function changes in each period from the initial value P(0) = 1 up to 1/3 value during the time period of the t approx = 4 pi/Ng order, when the spins number is N >= 1 and remains in the P sub 1 (t) 1/3 state practically during the whole period. The simple classical model within the frames of the average field theory explains the physical cause of the nonergodic dynamics of the considered system

  20. A COMBINED PARAMETRIC QUADRATIC PROGRAMMING AND PRECISE INTEGRATION METHOD BASED DYNAMIC ANALYSIS OF ELASTIC-PLASTIC HARDENING/SOFTENING PROBLEMS

    Institute of Scientific and Technical Information of China (English)

    张洪武; 张新伟

    2002-01-01

    The objective of the paper is to develop a new algorithm for numericalsolution of dynamic elastic-plastic strain hardening/softening problems. The gradientdependent model is adopted in the numerical model to overcome the result mesh-sensitivity problem in the dynamic strain softening or strain localization analysis.The equations for the dynamic elastic-plastic problems are derived in terms of theparametric variational principle, which is valid for associated, non-associated andstrain softening plastic constitutive models in the finite element analysis. The preciseintegration method, which has been widely used for discretization in time domain ofthe linear problems, is introduced for the solution of dynamic nonlinear equations.The new algorithm proposed is based on the combination of the parametric quadraticprogramming method and the precise integration method and has all the advantagesin both of the algorithms. Results of numerical examples demonstrate not only thevalidity, but also the advantages of the algorithm proposed for the numerical solutionof nonlinear dynamic problems.

  1. Molecular Dynamics for Elastic and Plastic Deformation of a Single-Walled Carbon Nanotube Under Nanoindentation

    Institute of Scientific and Technical Information of China (English)

    FANG Te-Hua; JIAN Sheng-Rui; CHUU Der-San

    2004-01-01

    @@ Mechanical characteristics of a suspended (10, 10) single-walled carbon nanotube (SWCNT) during atomic force microscopy (AFM) nanoindentation are investigated at different temperatures by molecular dynamics simulations.The results indicate that the Young modulus of the (10, 10) SWCNT under temperatures of 300-600K is 1.2-1.3 TPa. As the temperature increases, the Young modulus of the SWCNT increases, but the axial strain of the SWCNT decreases. The strain-induced spontaneous formation of the Stone-Wales defects and the rippled behaviour under inhomogeneous stress are studied. The rippled behaviour of the SWCNT is enhanced with the increasing axial strain. The adhesive phenomenon between the probe and the nanotube and the elastic recovery of the nanotube during the retraction are also investigated.

  2. Dynamics of an Unstabilized Spacecraft During the Deployment of an Elastic Pantograph Structure

    Science.gov (United States)

    Zakrzhevskii, A. E.; Khoroshilov, V. S.

    2014-05-01

    An unstabilized spacecraft with a pantograph structure deployed in orbit to carry solar batteries is the subject of study. The objective of the study is to construct a mathematical model of this system taking into account the elastic properties of elements of the pantograph in longitudinal and transverse directions. This model is based on the Lagrangian formalism as applied to a mechanical system with rheonomic constraints. The expressions for the coefficients of the equations of motions are obtained using Mathematica 5©. A Fortran application software package is used for numerical simulation of dynamic processes. This package can be adapted, if necessary, to study other structures. The behavior of the spacecraft during the deployment of the pantograph is numerically analyzed using different values of spacecraft parameters and the parameters of the deployment process in the gravity field.

  3. Propulsion System Dynamic Modeling of the NASA Supersonic Concept Vehicle for AeroPropulsoServoElasticity

    Science.gov (United States)

    Kopasakis, George; Connolly, Joseph W.; Seiel, Jonathan

    2016-01-01

    A summary of the propulsion system modeling under NASA's High Speed Project (HSP) AeroPropulsoServoElasticity (APSE) task is provided with a focus on the propulsion system for the low-boom supersonic configuration developed by Lockheed Martin and referred to as the N+2 configuration. This summary includes details on the effort to date to develop computational models for the various propulsion system components. The objective of this paper is to summarize the model development effort in this task, while providing more detail in the modeling areas that have not been previously published. The purpose of the propulsion system modeling and the overall APSE effort is to develop an integrated dynamic vehicle model to conduct appropriate unsteady analysis of supersonic vehicle performance. This integrated APSE system model concept includes the propulsion system model, and the vehicle structural aerodynamics model. The development to date of such a preliminary integrated model will also be summarized in this report

  4. A benchtop biorobotic platform for in vitro observation of muscle-tendon dynamics with parallel mechanical assistance from an elastic exoskeleton.

    Science.gov (United States)

    Robertson, Benjamin D; Vadakkeveedu, Siddarth; Sawicki, Gregory S

    2017-05-24

    We present a novel biorobotic framework comprised of a biological muscle-tendon unit (MTU) mechanically coupled to a feedback controlled robotic environment simulation that mimics in vivo inertial/gravitational loading and mechanical assistance from a parallel elastic exoskeleton. Using this system, we applied select combinations of biological muscle activation (modulated with rate-coded direct neural stimulation) and parallel elastic assistance (applied via closed-loop mechanical environment simulation) hypothesized to mimic human behavior based on previously published modeling studies. These conditions resulted in constant system-level force-length dynamics (i.e., stiffness), reduced biological loads, increased muscle excursion, and constant muscle average positive power output-all consistent with laboratory experiments on intact humans during exoskeleton assisted hopping. Mechanical assistance led to reduced estimated metabolic cost and MTU apparent efficiency, but increased apparent efficiency for the MTU+Exo system as a whole. Findings from this study suggest that the increased natural resonant frequency of the artificially stiffened MTU+Exo system, along with invariant movement frequencies, may underlie observed limits on the benefits of exoskeleton assistance. Our novel approach demonstrates that it is possible to capture the salient features of human locomotion with exoskeleton assistance in an isolated muscle-tendon preparation, and introduces a powerful new tool for detailed, direct examination of how assistive devices affect muscle-level neuromechanics and energetics. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. A first-principle study of the structural, elastic, lattice dynamical and thermodynamic properties of PrX (X=P, As)

    Energy Technology Data Exchange (ETDEWEB)

    Kocak, B. [Gazi University, Department of Physics, Teknikokullar, 06500 Ankara (Turkey); Ciftci, Y.O., E-mail: yasemin@gazi.edu.tr [Gazi University, Department of Physics, Teknikokullar, 06500 Ankara (Turkey); Colakoglu, K. [Gazi University, Department of Physics, Teknikokullar, 06500 Ankara (Turkey); Deligoz, E. [Aksaray University, Department of Physics, 68100 Aksaray (Turkey)

    2012-02-01

    The structural, phase transition, elastic, lattice dynamic and thermodynamic properties of rare-earth compounds PrP and PrAs with NaCl (B1), CsCl (B2), ZB (B3), WC (B{sub h}) and CuAu (L1{sub 0}) structures are investigated using the first principles calculations within the generalized gradient approximation (GGA). For the total-energy calculation, we have used the projected augmented plane-wave (PAW) implementation of the Vienna Ab-initio Simulation Package (VASP). Specifically, some basic physical parameters, e.g. lattice constants, bulk modulus, elastic constants, shear modulus, Young's modulus and Poison's ratio, are predicted. The obtained equilibrium structure parameters are in excellent agreement with the experimental and theoretical data. The temperature and pressure variations of the volume, bulk modulus, thermal expansion coefficient, heat capacity and Debye temperature are calculated in wide pressure and temperature ranges. The phonon dispersion curves and corresponding one-phonon density of states (DOS) for both compounds are also computed in the NaCl (B1) structure.

  6. A first-principle study of the structural, elastic, lattice dynamical and thermodynamic properties of PrX (X=P, As)

    Science.gov (United States)

    Kocak, B.; Ciftci, Y. O.; Colakoglu, K.; Deligoz, E.

    2012-02-01

    The structural, phase transition, elastic, lattice dynamic and thermodynamic properties of rare-earth compounds PrP and PrAs with NaCl (B1), CsCl (B2), ZB (B3), WC (B h) and CuAu (L1 0) structures are investigated using the first principles calculations within the generalized gradient approximation (GGA). For the total-energy calculation, we have used the projected augmented plane-wave (PAW) implementation of the Vienna Ab-initio Simulation Package (VASP). Specifically, some basic physical parameters, e.g. lattice constants, bulk modulus, elastic constants, shear modulus, Young's modulus and Poison's ratio, are predicted. The obtained equilibrium structure parameters are in excellent agreement with the experimental and theoretical data. The temperature and pressure variations of the volume, bulk modulus, thermal expansion coefficient, heat capacity and Debye temperature are calculated in wide pressure and temperature ranges. The phonon dispersion curves and corresponding one-phonon density of states (DOS) for both compounds are also computed in the NaCl (B1) structure.

  7. Propulsion System Dynamic Modeling for the NASA Supersonic Concept Vehicle: AeroPropulsoServoElasticity

    Science.gov (United States)

    Kopasakis, George; Connolly, Joseph; Seidel, Jonathan

    2014-01-01

    A summary of the propulsion system modeling under NASA's High Speed Project (HSP) AeroPropulsoServoElasticity (APSE) task is provided with a focus on the propulsion system for the low-boom supersonic configuration developed by Lockheed Martin and referred to as the N+2 configuration. This summary includes details on the effort to date to develop computational models for the various propulsion system components. The objective of this paper is to summarize the model development effort in this task, while providing more detail in the modeling areas that have not been previously published. The purpose of the propulsion system modeling and the overall APSE effort is to develop an integrated dynamic vehicle model to conduct appropriate unsteady analysis of supersonic vehicle performance. This integrated APSE system model concept includes the propulsion system model, and the vehicle structural-aerodynamics model. The development to date of such a preliminary integrated model will also be summarized in this report.propulsion system dynamics, the structural dynamics, and aerodynamics.

  8. Elastic responses of underground circular arches considering dynamic soil-structure interaction: A theoretical analysis

    Institute of Scientific and Technical Information of China (English)

    Hai-Long Chen; Feng-Nian Jin; Hua-Lin Fan

    2013-01-01

    Due to the wide applications of arches in underground protective structures,dynamic analysis of circular arches including soil-structure interactions is important.In this paper,an exact solution of the forced vibration of circular arches subjected to subsurface denotation forces is obtained.The dynamic soil-structure interaction is considered with the introduction of an interfacial damping between the structure element and the surrounding soil into the equation of motion.By neglecting the influences of shear,rotary inertia and tangential forces and assuming the arch incompressible,the equations of motion of the buried arches were set up.Analytical solutions of the dynamic responses of the protective arches were deduced by means of modal superposition.Arches with different opening angles,acoustic impedances and rise-span ratios were analyzed to discuss their influences on an arch.The theoretical analysis suggests blast loads for elastic designs and predicts the potential failure modes for buried protective arches.

  9. From viscous to elastic sheets: Dynamics of smectic freely floating films

    Science.gov (United States)

    Harth, Kirsten; May, Kathrin; Trittel, Torsten; Stannarius, Ralf

    2015-03-01

    Oscillations and rupture of bubbles, composed of an inner fluid separated from an outer fluid by a membrane, represent an old but still immensely active field of research. Membrane properties except surface tension are often neglected for simple fluid films (e.g. soap bubbles), whereas they govern the dynamics in systems with more complex membranes (e.g. vesicles). Due to their layered phase structure, smectic liquid crystals can form stable, uniform and easy-to handle fluid films of immense aspect ratios. Recently, freely floating bubbles detached from a support were prepared. We analyze the relaxation from strongly non-spherical shapes and the rupture dynamics of such bubbles using high-speed video recordings. Peculiar dynamics intermediate between those of simple viscous fluid films and an elastic response emerge: Oscillations, slowed relaxation and even the formation of wrinkles and extrusions. We characterize these phenomena and propose explanations. We acknowledge funding by the German Aerospace Center DLR within Project OASIS-CO and German Science Foundation Project STA 425-28.

  10. MULTIPLE SCATTERING AND DYNAMIC STRESS ANALYSIS OF ELASTIC WAVES IN A FIBER—REINFORCED COMPOSITE WITH INTERFACES

    Institute of Scientific and Technical Information of China (English)

    李凤明; 胡超; 徐敏强; 黄文虎

    2003-01-01

    Based on the theory of elastic dynamics, multiple scattering of elastic waves anddynamic stress concentrations in fiber-reinforced composite are studied. The analytical expressions ofelastic waves in different regions are presented. The mode coefficients of elastic waves are determinedin accordance with the continuous conditions of displacement and stress on the boundary of the multi-interfaces. By using the addition theorem of Hankel functions, the formula of scattered wave fields indifferent local coordinates are transformed into those in one local coordinate to determine the unknowncoefficients and dynamic stress concentration factors (DSCFs). The influences of the distance betweentwo inclusions, material properties and structural size on the DSCFs near the interfaces are analyzed.As examples, the numerical results of DSCFs near the interfaces for two kinds of fiber-reinforcedcomposites are presented and discussed.

  11. A DYNAMIC VARIATION PRINCIPLE FOR ELASTIC-FLUID CONTACTS, APPLIED TO ELASTOHYDRODYNAMIC LUBRICATION THEORY

    NARCIS (Netherlands)

    Groesen, E. van; Verstappen, R.W.C.P.

    1990-01-01

    This paper discusses the variational structure of the line contact problem between an elastic medium and a fluid. The equations for the deformation in the elastic material, and for the flow of the viscous fluid are assumed to be determined from an elastic energy E and a power functional P respective

  12. About non-elastic perturbations in geo-media under dynamical loading

    Science.gov (United States)

    Psakhie, Serguei; Ruzhich, Vladimir; Shilko, Evgueni; Smekalin, Oleg

    2001-06-01

    There are certain features of the geo-media response under dynamical loading including seismic actions. One of them is the "slow waves". The nature of these waves can't be elastic because the velocities of the waves are incomparably smaller than sound velocity. In this paper a new type of perturbation is proposed. This is material degradation front. It means propagation of local degradation of the elastic properties of materials as a result of damages generation. The computer-aided study was performed on the base of new computational technique-movable cellular automata (MCA) method. MCA method is based on the discrete concept and it has to be noted that in contradistinction from FEM the MCA concept has a few prime advantages. Main of them is related with modeling of the discontinuities (damages) generation directly. It allows us to study directly the materials and structures response like damages generation and accumulation, cracks initiation and propagation, mass mixing effects and so on. The result of the modeling of mechanically constrained geo-materials response under dynamical loading shown the damage area expands from stress concentrator. So, the following process was developed: seismic (dynamical) shock leads to the stress concentrators, each stress concentrator initiates the damages and damage areas expand without crack penetration through it. The acceleration gauges located "far off" the loading source will record the "slow wave", but it is not wave naturally. This perturbation is caused by damage area expanding. The perturbation velocity is in the range from a few centimeters per second to hundreds meters per second. It depends on the loading condition as well as on the internal structure. This phenomenon is unique to mechanically constrained geo-materials. The natural experimental results obtained in the area of Baikal Fault are discussed. The comparison shows a good accord between results obtained by computer aided study and by acceleration gauges

  13. Communication: Constant uncertainty molecular dynamics: A simple and efficient algorithm to incorporate quantum nature into a real-time molecular dynamics simulation.

    Science.gov (United States)

    Hasegawa, Taisuke

    2016-11-07

    We propose a novel molecular dynamics (MD) algorithm for approximately dealing with a nuclear quantum dynamics in a real-time MD simulation. We have found that real-time dynamics of the ensemble of classical particles acquires quantum nature by introducing a constant quantum mechanical uncertainty constraint on its classical dynamics. The constant uncertainty constraint is handled by the Lagrange multiplier method and implemented into a conventional MD algorithm. The resulting constant uncertainty molecular dynamics (CUMD) is applied to the calculation of quantum position autocorrelation functions on quartic and Morse potentials. The test calculations show that CUMD gives better performance than ring-polymer MD because of the inclusion of the quantum zero-point energy during real-time evolution as well as the quantum imaginary-time statistical effect stored in an initial condition. The CUMD approach will be a possible starting point for new real-time quantum dynamics simulation in condensed phase.

  14. Communication: Constant uncertainty molecular dynamics: A simple and efficient algorithm to incorporate quantum nature into a real-time molecular dynamics simulation

    Science.gov (United States)

    Hasegawa, Taisuke

    2016-11-01

    We propose a novel molecular dynamics (MD) algorithm for approximately dealing with a nuclear quantum dynamics in a real-time MD simulation. We have found that real-time dynamics of the ensemble of classical particles acquires quantum nature by introducing a constant quantum mechanical uncertainty constraint on its classical dynamics. The constant uncertainty constraint is handled by the Lagrange multiplier method and implemented into a conventional MD algorithm. The resulting constant uncertainty molecular dynamics (CUMD) is applied to the calculation of quantum position autocorrelation functions on quartic and Morse potentials. The test calculations show that CUMD gives better performance than ring-polymer MD because of the inclusion of the quantum zero-point energy during real-time evolution as well as the quantum imaginary-time statistical effect stored in an initial condition. The CUMD approach will be a possible starting point for new real-time quantum dynamics simulation in condensed phase.

  15. Transient Dynamics of Elastic Hele-Shaw Cell Due to External Forces with Application to Impulse Mitigation

    CERN Document Server

    Tulchinsky, Arie

    2015-01-01

    We study the transient dynamics of a viscous liquid contained in a narrow gap between a rigid surface and a parallel elastic plate. The elastic plate is deformed due to an externally applied time-varying pressure-field. We model the flow-field via the lubrication approximation, and the plate deformation by the Kirchhoff-Love plate theory. We obtain a self-similarity solution for the case of an external point force acting on the elastic plate. The pressure and deformation field during and after the application of the external force are derived and presented by closed form expressions. We examine a uniform external pressure acting on the elastic plate over a finite region and during a finite time period, similar to the viscous-elastic interaction time-scale. The interaction between elasticity and viscosity is shown to reduce by order of magnitude the pressure within the Hele-Shaw cell compared with the externally applied pressure, thus suggesting such configurations may be used for impact mitigation.

  16. NMClab, a model to assess the contributions of muscle visco-elasticity and afferent feedback to joint dynamics

    NARCIS (Netherlands)

    Schouten, Alfred C.; Mugge, Winfred; Helm, van der Frans C.T.

    2008-01-01

    The dynamic behavior of a neuromusculoskeletal system results from the complex mechanical interaction between muscle visco-elasticity resulting from (co-)contraction and afferent feedback from muscle spindles and Golgi tendon organs. As a result of the multiple interactions the individual effect of

  17. Dynamical role of phosphorylation on serine/threonine-proline Pin1 substrates from constant force molecular dynamics simulations.

    Science.gov (United States)

    Velazquez, Hector A; Hamelberg, Donald

    2015-02-21

    Cis-trans isomerization of peptidyl-prolyl bonds of the protein backbone plays an important role in numerous biological processes. Cis-trans isomerization can be the rate-limiting step due its extremely slow dynamics, compared to the millisecond time scale of many processes, and is catalyzed by a widely studied family of peptidyl-prolyl cis-trans isomerase enzymes. Also, mechanical forces along the peptide chain can speed up the rate of isomerization, resulting in "mechanical catalysis," and have been used to study peptidyl-prolyl cis-trans isomerization and other mechanical properties of proteins. Here, we use constant force molecular dynamics simulations to study the dynamical effects of phosphorylation on serine/threonine-proline protein motifs that are involved in the function of many proteins and have been implicated in many aberrant biological processes. We show that the rate of cis-trans isomerization is slowed down by phosphorylation, in excellent agreement with experiments. We use a well-grounded theory to describe the force dependent rate of isomerization. The calculated rates at zero force are also in excellent agreement with experimentally measured rates, providing additional validation of the models and force field parameters. Our results suggest that the slowdown in the rate upon phosphorylation is mainly due to an increase in the friction along the peptidyl-prolyl bond angle during isomerization. Our results provide a microscopic description of the dynamical effects of post-translational phosphorylation on cis-trans isomerization and insights into the properties of proteins under tension.

  18. Radiation reaction dynamics in an electromagnetic wave and constant electric field

    Science.gov (United States)

    Atlee Jackson, E.

    1984-05-01

    The relativistic motion of a charged particle is studied when it is acted on simultaneously by a constant electric field and a plane electromagnetic wave, propagating in the direction of the electric field (x axis). The dynamics includes the radiation reaction (self-force) on the particle through a standard approximation of the Lorentz-Dirac equation. The interest is to determine the result of the competition between the average acceleration due to the electromagnetic wave (``radiation pressure'') and the acceleration due to the constant force of the static field. Each of these actions alone of course produce an unbounded particle energy asymptotically in time. However, it is proved first that, when the ``forces'' are in opposite directions, the particle can never accelerate (on the average) indefinitely in the x direction, regardless how weak the electric field (E0) is compared to the amplitude of the wave (A). It is then proved that all solutions converge to a region of zero area in a suitable velocity phase space and, if there exists a periodic solution [in the phase ξ=ω (t-x/c)] in a specified region of this phase space, then all solutions must converge to this solution asymptotically (ξ→+∞). In the case when (E0A2/ω2) has a specified bound (ω: wave frequency), an iterative method is developed which explicitly yields such a periodic solution, showing that the energy remains bounded. The direction of the average drift is determined in terms of (A,E0,ω). When the parameter (E0A2/ω2) is above this bound, a combination of numerical and analytic results are obtained which indicate that this periodic solution persists. These results indicate that all motions tend to states with bounded energy, regardless of the field strengths.

  19. Modified Nosé-Hoover thermostat for solid state for constant temperature molecular dynamics simulation

    Science.gov (United States)

    Chen, Wen-Hwa; Wu, Chun-Hung; Cheng, Hsien-Chie

    2011-07-01

    Nosé-Hoover (NH) thermostat methods incorporated with molecular dynamics (MD) simulation have been widely used to simulate the instantaneous system temperature and feedback energy in a canonical ensemble. The method simply relates the kinetic energy to the system temperature via the particles' momenta based on the ideal gas law. However, when used in a tightly bound system such as solids, the method may suffer from deriving a lower system temperature and potentially inducing early breaking of atomic bonds at relatively high temperature due to the neglect of the effect of the potential energy of atoms based on solid state physics. In this paper, a modified NH thermostat method is proposed for solid system. The method takes into account the contribution of phonons by virtue of the vibrational energy of lattice and the zero-point energy, derived based on the Debye theory. Proof of the equivalence of the method and the canonical ensemble is first made. The modified NH thermostat is tested on different gold nanocrystals to characterize their melting point and constant volume specific heat, and also their size and temperature dependence. Results show that the modified NH method can give much more comparable results to both the literature experimental and theoretical data than the standard NH. Most importantly, the present model is the only one, among the six thermostat algorithms under comparison, that can accurately reproduce the experimental data and also the T 3-law at temperature below the Debye temperature, where the specific heat of a solid at constant volume is proportional to the cube of temperature.

  20. Unilateral eccentric resistance training: A direct comparison between isokinetic and dynamic constant external resistance modalities.

    Science.gov (United States)

    Coratella, Giuseppe; Milanese, Chiara; Schena, Federico

    2015-01-01

    Aim of the study was to compare the effects of unilateral eccentric-only training using constant velocity vs. constant external load. Forty-seven participants were randomized in isokinetic (IK), dynamic constant external resistance (DCER) unilateral eccentric training or control groups. Knee extension 1RM and isometric, eccentric and concentric knee extensors peak torque, as well as changes in vastus lateralis fascicle pennation angle, fascicle length, muscle thickness, and quadriceps fat-free mass were measured. Both IK and DCER training consisted in 5 × 8 eccentric-only repetitions, 2d/w, for 6 weeks. IK and DCER training sessions were matched for total volume. After training, both IK and DCER similarly increased 1RM (respectively, +4.4 kg, CI95% 1.8-7.0 and +5.5 kg, CI95% 3.3-7.9), isometric (respectively, +34.5 N/m, CI95% 23.0-45.9 and +15.8, CI95% 5.4-26.2) and concentric peak torque (respectively, +17.0 N/m, CI95% 6.6 to +27.4 and 12.2 CI95% 2.8-21.7). IK increased eccentric peak torque significantly more than DCER (respectively, +84.2 N/m, CI95% 66.3-102.1 and +38.2 N/m, CI95% 21.9-54.4). Both IK and DCER similarly increased fascicle length (respectively, +14.7 mm, CI95% 5.4-24.0 and +14.4 mm, CI95% 5.4-23.3) and muscle thickness (respectively, +3.3 mm, CI95% 1.5-5.1, and +4.1 mm, CI95% 2.5-5.7). Matching the training volume resulted in similar adaptations comparing eccentric-only IK or DCER resistance training. Both in rehabilitation and in training practice, the use of easily available gym devices can be a good substitute for expensive and often unavailable IK devices.

  1. Elastic properties determination of CuInSe2 polycrystalline thin films via a dynamic method

    Energy Technology Data Exchange (ETDEWEB)

    Hadjoub, Z; Merdes, S; Hadjoub, I; Doghmane, A, E-mail: z_hadjoub@yahoo.fr [Laboratoire des Semi-Conducteurs, Departement de Physique, Faculte des Sciences, Universite Badji-Mokhtar, BP 12, Annaba, DZ-23000 (Algeria)

    2010-11-15

    Developing and using a simulation program based on the spectrum angular model, we first determine reflectance functions and acoustic signatures for bulk as well as for different thickness of CuInSe2 films. For bulk material, it is found that the longitudinal and Rayleigh modes are excited at incidence angles of 23.4{sup 0} and 47{sup 0}, respectively. This result reveals the great difficulties to characterize CuInSe2 with a conventional scanning acoustic microscope that uses a lens half- opening angle of 50{sup 0} and water as a coupling liquid. Hence, Freon is used as alternative coupling liquid. Consequently, the effect of thickness on reflection coefficient and acoustic signature variations are quantified for both bulk and thin material. It is shown that as the thickness increases: (i) the critical angle of mode excitation increases, (ii) the periods of acoustic signature curves decrease and (iii) the Rayleigh velocity, VR, mode shifts towards lower values. Hence, a velocity dispersion curve is established in terms of VR as a function of film thickness; it decreases initially from the velocity value of the glass substrate then saturates when it reaches that of CuInSe2. The importance of such curve lies in the possibility of velocity determination by just knowing the thickness, and vice versa. Moreover, elastic constants are straight forward deduced from such a velocity.

  2. Molecular dynamics simulation of the structural, elastic, and thermal properties of pyrochlores

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Liyuan; Li, Yuhong; Devanathan, Ram; Gao, Fei

    2016-04-28

    We present a comprehensive simulation study of the effect of composition on the structural, elastic and thermal properties of 25 different compounds from the pyrochlore family. We joined a repulsive potential to an existing interatomic potential to enable molecular dynamics simulations of conditions away from equilibrium. We systematically varied the chemistry of the pyrochlore by substituting different cations in the A and B sites of the A2B2O7 formula unit. The A cations varied from Lu3+ to La3+, and the B cations from Ti4+ to Ce4+. The lattice parameter increased steadily with increasing the radius of A or B cations, but the bulk modulus showed a decreasing trend with increasing cation radius. However, the specific heat capacity and thermal expansion coefficient remained almost unchanged with increasing the radii of A and B cations. It is of interest to note that Ce on the B site significantly reduces the specific heat capacity and thermal expansion coefficient, which could have implications for annealing of radiation damage in cerate pyrochlores. The present results are consistent with the experimental measurements, which validates these potentials for simulation of dynamical processes, such as radiation damage, in pyrochlores.

  3. Dynamic interrogator for elastic wave sensing using Fabry Perot filters based on fiber Bragg gratings.

    Science.gov (United States)

    Harish, Achar V; Varghese, Bibin; Rao, Babu; Balasubramaniam, Krishnan; Srinivasan, Balaji

    2015-07-01

    Use of in-fiber Fabry-Perot (FP) filters based on fiber Bragg gratings as both sensor as well as an interrogator for enhancing the detection limit of elastic wave sensing is investigated in this paper. The sensitivity of such a demodulation scheme depends on the spectral discrimination of the sensor and interrogator gratings. Simulations have shown that the use of in-fiber FP filters with high finesse provide better performance in terms of sensitivity compared to the demodulation using fiber Bragg gratings. Based on these results, a dynamic interrogator capable of sensing acoustic waves with amplitude of less than 1 micro-strain over frequencies of 10 kHz to several 100 kHz has been implemented. Frequency response of the fiber Bragg gratings in the given experimental setup has been compared to that of the conventional piezo sensors demonstrating that fiber Bragg gratings can be used over a relatively broad frequency range. Dynamic interrogator has been packaged in a compact box without any degradation in its performance.

  4. Acoustic investigation of the aperture dynamics of an elastic membrane closing an overpressurized cylindrical cavity

    Science.gov (United States)

    Sánchez, Claudia; Vidal, Valérie; Melo, Francisco

    2015-08-01

    We report an experimental study of the acoustic signal produced by the rupture of an elastic membrane that initially closes a cylindrical overpressurized cavity. This configuration has been recently used as an experimental model system for the investigation of the acoustic emission from the bursting of elongated gas bubbles rising in a conduit. Here, we investigate the effect of the membrane rupture dynamics on the acoustic signal produced by the pressure release by changing the initial tension of the membrane. The initial overpressure in the cavity is fixed at a value such that the system remains in the linear acoustic regime. For large initial membrane deformation, the rupture time τ rup is small compared to the wave propagation time in the cavity and the pressure wave inside the conduit can be fully captured by the linear theory. For low membrane tension, a hole is pierced in the membrane but its rupture does not occur. For intermediate deformation, finally, the rupture progresses in two steps: first the membrane opens slowly; then, after reaching a critical size, the rupture accelerates. A transversal wave is excited along the membrane surface. The characteristic signature of each opening dynamics on the acoustic emission is described.

  5. Nonlinear dynamic analysis of damaged Reddy-Bickford beams supported on an elastic Pasternak foundation

    Science.gov (United States)

    Stojanović, Vladimir; Petković, Marko D.

    2016-12-01

    Geometrically nonlinear free and forced vibrations of damaged high order shear deformable beams resting on a nonlinear Pasternak foundation are investigated in this paper. Equations of motion are derived for the beam which is under subjected combined action of arbitrarily distributed or concentrated transverse loading as well as axial loading. To account for shear deformations, the concept of high order shear deformation is used in comparison with the concept of first order shear deformation theory. Analyses are performed to investigate the effects of the specific stiffness of the foundation on the damaged beam frequencies and displacements with the aim of equalising the response of a damaged and an intact beam. According to that, functions of the foundation stiffness are determined depending on the location and size of the damage as a result of the possibility for the damaged beam to behave like one that is intact. An advanced p-version of the finite element method is developed for geometrically nonlinear vibrations of damaged Reddy-Bickford beams. The present study gives a clear view of the nonlinear dynamical behaviour of four types of beams according to high order shear deformation theory - an intact beam, a damaged beam, a damaged beam on an elastic foundation and intact beam on elastic foundation. The paper also presents the derivation of a new set of two nonlinear partial differential equations where only the transverse and axial displacements figure. The forced nonlinear vibrations problem is solved in the time domain using the Newmark integration method. Free vibration analysis carried out by harmonic balance and the use of continuation methods and backbone curves are constructed.

  6. Elastic Scattering Spectroscopy (ESS): an Instrument-Concept for Dynamics of Complex (Bio-) Systems From Elastic Neutron Scattering

    Science.gov (United States)

    Benedetto, Antonio; Kearley, Gordon J.

    2016-10-01

    A new type of neutron-scattering spectroscopy is presented that is designed specifically to measure dynamics in bio-systems that are difficult to obtain in any other way. The temporal information is largely model-free and is analogous to relaxation processes measured with dielectric spectroscopy, but provides additional spacial and geometric aspects of the underlying dynamics. Numerical simulations of the basic instrument design show the neutron beam can be highly focussed, giving efficiency gains that enable the use of small samples. Although we concentrate on continuous neutron sources, the extension to pulsed neutron sources is proposed, both requiring minimal data-treatment and being broadly analogous with dielectric spectroscopy, they will open the study of dynamics to new areas of biophysics.

  7. Elastic Scattering Spectroscopy (ESS): an Instrument-Concept for Dynamics of Complex (Bio-) Systems From Elastic Neutron Scattering

    Science.gov (United States)

    Benedetto, Antonio; Kearley, Gordon J.

    2016-01-01

    A new type of neutron-scattering spectroscopy is presented that is designed specifically to measure dynamics in bio-systems that are difficult to obtain in any other way. The temporal information is largely model-free and is analogous to relaxation processes measured with dielectric spectroscopy, but provides additional spacial and geometric aspects of the underlying dynamics. Numerical simulations of the basic instrument design show the neutron beam can be highly focussed, giving efficiency gains that enable the use of small samples. Although we concentrate on continuous neutron sources, the extension to pulsed neutron sources is proposed, both requiring minimal data-treatment and being broadly analogous with dielectric spectroscopy, they will open the study of dynamics to new areas of biophysics. PMID:27703184

  8. Closed-form dynamic stability criterion for elastic-plastic structures under near-fault ground motions

    Directory of Open Access Journals (Sweden)

    Kotaro eKojima

    2016-03-01

    Full Text Available A dynamic stability criterion for elastic-plastic structures under near-fault ground motions is derived in closed-form. A negative post-yield stiffness is treated in order to consider the P-delta effect. The double impulse is used as a substitute of the fling-step near-fault ground motion. Since only the free-vibration appears under such double impulse, the energy approach plays a critical role in the derivation of the closed-form solution of a complicated elastic-plastic response of structures with the P-delta effect. It is remarkable that no iteration is needed in the derivation of the closed-form dynamic stability criterion on the critical elastic-plastic response. It is shown via the closed-form expression that several patterns of unstable behaviors exist depending on the ratio of the input level of the double impulse to the structural strength and on the ratio of the negative post-yield stiffness to the initial elastic stiffness. The validity of the proposed dynamic stability criterion is investigated by the numerical response analysis for structures under double impulses with stable or unstable parameters. Furthermore the reliability of the proposed theory is tested through the comparison with the response analysis to the corresponding one-cycle sinusoidal input as a representative of the fling-step near-fault ground motion. The applicability of the proposed theory to actual recorded pulse-type ground motions is also discussed.

  9. Dynamic Response Analysis of an Asymmetric Coupled Vehicle-Track System Generated by Voided Elastic Two-Block Sleeper

    Directory of Open Access Journals (Sweden)

    Zhenxing He

    2016-01-01

    Full Text Available Based on vehicle-track coupled dynamic theory, a three-dimensional asymmetric vehicle-track coupling vibration model is developed to investigate the effect of voided elastic two-block sleepers on vehicle and track system dynamic responses. For the vehicle system, one car body, two frames, and four wheel sets are assumed to be rigid, with 35 degrees of freedom (DOF. For the track system, the rails and the concrete two-block sleepers are the main vibration components. The rails are modelled as Timoshenko beams, and the concrete two-block sleepers are assumed to be rigid mass with vertical and lateral movement. The pads under the rails and the rubber boots under the sleepers provide greater vertical and lateral elasticity for the track. The Hertz nonlinear elastic contact theory is used to calculate the normal wheel/rail force. The wheel/rail tangent creep force is first calculated using Kalker’s linear creep theory and then modified by the Shen-Hedrick-Elkins theory. The results show that the asymmetric voided elastic two-block sleepers have greater effects on the dynamic responses for fasteners and sleepers than on the car body and the wheel/rail forces under measured geometric irregularity and random irregularity. Two or more voided sleepers will greatly affect the vehicle running safety.

  10. Acute effect of static stretching on power output during concentric dynamic constant external resistance leg extension.

    Science.gov (United States)

    Yamaguchi, Taichi; Ishii, Kojiro; Yamanaka, Masanori; Yasuda, Kazunori

    2006-11-01

    The purpose of the present study was to clarify the effect of static stretching on muscular performance during concentric isotonic (dynamic constant external resistance [DCER]) muscle actions under various loads. Concentric DCER leg extension power outputs were assessed in 12 healthy male subjects after 2 types of pretreatment. The pretreatments included (a) static stretching treatment performing 6 types of static stretching on leg extensors (4 sets of 30 seconds each with 20-second rest periods; total duration 20 minutes) and (b) nonstretching treatment by resting for 20 minutes in a sitting position. Loads during assessment of the power output were set to 5, 30, and 60% of the maximum voluntary contractile (MVC) torque with isometric leg extension in each subject. The peak power output following the static stretching treatment was significantly (p extensive static stretching significantly reduces power output with concentric DCER muscle actions under various loads. Common power activities are carried out by DCER muscle actions under various loads. Therefore, the result of the present study suggests that relatively extensive static stretching decreases power performance.

  11. Dynamics and stabilization of peak current-mode controlled buck converter with constant current load

    Science.gov (United States)

    Leng, Min-Rui; Zhou, Guo-Hua; Zhang, Kai-Tun; Li, Zhen-Hua

    2015-10-01

    The discrete iterative map model of peak current-mode controlled buck converter with constant current load (CCL), containing the output voltage feedback and ramp compensation, is established in this paper. Based on this model the complex dynamics of this converter is investigated by analyzing bifurcation diagrams and the Lyapunov exponent spectrum. The effects of ramp compensation and output voltage feedback on the stability of the converter are investigated. Experimental results verify the simulation and theoretical analysis. The stability boundary and chaos boundary are obtained under the theoretical conditions of period-doubling bifurcation and border collision. It is found that there are four operation regions in the peak current-mode controlled buck converter with CCL due to period-doubling bifurcation and border-collision bifurcation. Research results indicate that ramp compensation can extend the stable operation range and transfer the operating mode, and output voltage feedback can eventually eliminate the coexisting fast-slow scale instability. Project supported by the National Natural Science Foundation of China (Grant No. 61371033), the Fok Ying-Tung Education Foundation for Young Teachers in the Higher Education Institutions of China (Grant No. 142027), the Sichuan Provincial Youth Science and Technology Fund, China (Grant Nos. 2014JQ0015 and 2013JQ0033), and the Fundamental Research Funds for the Central Universities, China (Grant No. SWJTU11CX029).

  12. Effect of Cylinder Size on the Modulus of Elasticity and Compressive Strength of Concrete from Static and Dynamic Tests

    Directory of Open Access Journals (Sweden)

    Byung Jae Lee

    2015-01-01

    Full Text Available The primary objective of this study is to investigate the effects of cylinder size (150 by 300 mm and 100 by 200 mm on empirical equations that relate static elastic moduli and compressive strength and static and dynamic elastic moduli of concrete. For the purposes, two sets of one hundred and twenty concrete cylinders, 150 by 300 mm and 100 by 200 mm, were prepared from three different mixtures with target compressive strengths of 30, 35, and 40 MPa. Static and dynamic tests were performed at 4, 7, 14, and 28 days to evaluate compressive strength and static and dynamic moduli of cylinders. The effects of the two different cylinder sizes were investigated through experiments in this study and database collected from the literature. For normal strength concrete (≤40 MPa, the two different cylinder sizes do not result in significant differences in test results including experimental variability, compressive strength, and static and dynamic elastic moduli. However, it was observed that the size effect became substantial in high strength concrete greater than 40 MPa. Therefore, special care is still needed to compare the static and dynamic properties of high strength concrete from the two different cylinder sizes.

  13. Measurement of dynamic patterns of an elastic membrane at bi-modal vibration using high speed electronic speckle pattern interferometry

    Energy Technology Data Exchange (ETDEWEB)

    Preciado, Jorge Sanchez; Lopez, Carlos Perez; Santoyo, Fernando Mendoza [Grupo de Metrología Optica, Centro de Investigaciones en Óptica, A. C. Loma del Bosque 115, Col. Lomas del Campestre, León, Guanajuato, 37150 (Mexico)

    2014-05-27

    Implementing a hybrid arrangement of Laser Doppler Vibrometry (LDV) and high speed Electronic Speckle Pattern Interferometry (ESPI) we were able to measure the dynamic patterns of a flat rectangular elastic membrane clamped at its edges stimulated with the sum of two resonance frequencies. ESPI is a versatile technique to analyze in real-time the deformation of a membrane since its low computational cost and easy implementation of the optical setup. Elastic membranes present nonlinear behaviors when stimulated with low amplitude signals. The elastic membrane under test, with several non rational related vibrating modals below the 200 Hz, was stimulated with two consecutives resonant frequencies. The ESPI patterns, acquired at high speed rates, shown a similar behavior for the dual frequency stimulation as in the case of patterns formed with the entrainment frequency. We think this may be related to the effects observed in the application of dual frequency stimulation in ultrasound.

  14. Understanding the mechanical response of double-stranded DNA and RNA under constant stretching forces using all-atom molecular dynamics.

    Science.gov (United States)

    Marin-Gonzalez, Alberto; Vilhena, J G; Perez, Ruben; Moreno-Herrero, Fernando

    2017-07-03

    Multiple biological processes involve the stretching of nucleic acids (NAs). Stretching forces induce local changes in the molecule structure, inhibiting or promoting the binding of proteins, which ultimately affects their functionality. Understanding how a force induces changes in the structure of NAs at the atomic level is a challenge. Here, we use all-atom, microsecond-long molecular dynamics to simulate the structure of dsDNA and dsRNA subjected to stretching forces up to 20 pN. We determine all of the elastic constants of dsDNA and dsRNA and provide an explanation for three striking differences in the mechanical response of these two molecules: the threefold softer stretching constant obtained for dsRNA, the opposite twist-stretch coupling, and its nontrivial force dependence. The lower dsRNA stretching resistance is linked to its more open structure, whereas the opposite twist-stretch coupling of both molecules is due to the very different evolution of molecules' interstrand distance with the stretching force. A reduction of this distance leads to overwinding in dsDNA. In contrast, dsRNA is not able to reduce its interstrand distance and can only elongate by unwinding. Interstrand distance is directly correlated with the slide base-pair parameter and its different behavior in dsDNA and dsRNA traced down to changes in the sugar pucker angle of these NAs.

  15. Dynamic and buckling analysis of a thin elastic-plastic square plate in a uniform temperature field

    Institute of Scientific and Technical Information of China (English)

    Shifu Xiao; Bin Chen

    2005-01-01

    The nonlinear models of the elastic and elasticlinear strain-hardening square plates with four immovably simply-supported edges are established by employing Hamilton's Variational Principle in a uniform temperature field. The unilateral equilibrium equations satisfied by the plastically buckled equilibria are also established. Dynamics and stability of the elastic and plastic plates are investigated analytically and the buckled equilibria are investigated by employing Galerkin-Ritz's method. The vibration frequencies, the first critical temperature differences of instability or buckling, the elastically buckled equilibria and the extremes depending on the final loading temperature difference of the plastically buckled equillibria of the plate are obtained. The results indicate that the critical buckling value of the plastic plate is lower than its critical instability value and the critical value of its buckled equilibria turning back to the trivial equilibrium are higher than the value. However, three critical values of the elastic plate are equal. The unidirectional snap-through may occur both at the stress-strain boundary of elasticity and plasticity and at the initial stage of unloading of the plastic plate.

  16. Inference of Planck action constant by a classical fluctuative postulate holding for stable microscopic and macroscopic dynamical systems

    CERN Document Server

    De Martino, S; Illuminati, F; Martino, Salvatore De; Siena, Silvio De; Illuminati, Fabrizio

    1999-01-01

    The possibility is discussed of inferring or simulating some aspects of quantum dynamics by adding classical statistical fluctuations to classical mechanics. We introduce a general principle of mechanical stability and derive a necessary condition for classical chaotic fluctuations to affect confined dynamical systems, on any scale, ranging from microscopic to macroscopic domains. As a consequence we obtain, both for microscopic and macroscopic aggregates, dimensional relations defining the minimum unit of action of individual constituents, yielding in all cases Planck action constant.

  17. Combining Elastic Network Analysis and Molecular Dynamics Simulations by Hamiltonian Replica Exchange.

    Science.gov (United States)

    Zacharias, Martin

    2008-03-01

    Coarse-grained elastic network models (ENM) of proteins can be used efficiently to explore the global mobility of a protein around a reference structure. A new Hamiltonian-replica exchange molecular dynamics (H-RexMD) method has been designed that effectively combines information extracted from an ENM analysis with atomic-resolution MD simulations. The ENM analysis is used to construct a distance-dependent penalty (flooding or biasing) potential that can drive the structure away from its current conformation in directions compatible with the ENM model. Various levels of the penalty or biasing potential are added to the force field description of the MD simulation along the replica coordinate. One replica runs at the original force field. By focusing the penalty potential on the relevant soft degrees of freedom the method avoids the rapid increase of the replica number with increasing system size to cover a desired temperature range in conventional (temperature) RexMD simulations. The application to domain motions in lysozyme of bacteriophage T4 and to peptide folding indicates significantly improved conformational sampling compared to conventional MD simulations.

  18. Dynamic acousto-elastic test using continuous probe wave and transient vibration to investigate material nonlinearity.

    Science.gov (United States)

    Eiras, J N; Vu, Q A; Lott, M; Payá, J; Garnier, V; Payan, C

    2016-07-01

    This study demonstrates the feasibility of the dynamic acousto-elastic effect of a continuous high frequency wave for investigating the material nonlinearity upon transient vibration. The approach is demonstrated on a concrete sample measuring 15×15×60cm(3). Two ultrasonic transducers (emitter and receiver) are placed at its middle span. A continuous high frequency wave of 500kHz propagates through the material and is modulated with a hammer blow. The position of the hammer blow on the sample is configured to promote the first bending mode of vibration. The use of a continuous wave allows discrete time extraction of the nonlinear behavior by a short-time Fourier transform approach, through the simultaneous comparison of a reference non-modulated signal and an impact-modulated signal. The hammer blow results in phase shifts and variations of signal amplitude between reference and perturbed signals, which are driven by the resonant frequency of the sample. Finally, a comprehensive analysis of the relaxation mechanisms (modulus and attenuation recovery) is conducted to untangle the coupled fast and slow hysteretic effects. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. Surface traction and the dynamics of elastic rods at low Reynolds number

    Science.gov (United States)

    Strawbridge, Eva M.; Wolgemuth, Charles W.

    2012-09-01

    Molecular and cell biological processes often use proteins and structures that are significantly longer in one dimension than they are in the other two, for example, DNA, actin, and bacterial flagella. The dynamics of these structures are the consequence of the balance between the elastic forces from the structure itself and viscous forces from the surrounding fluid. Typically, the motion of these filamentary objects is described using variations of the Kirchhoff rod equations with resistive forces from the fluid treated as body forces acting on the centerline. In reality, though, these forces are applied to the surface of the filament; however, the standard derivation of the Kirchhoff equations ignores surface traction stresses. Here, we rederive the Kirchhoff rod equations in the presence of resistive traction stresses and determine the conditions under which treating the drag forces as body forces is reasonable. We show that in most biologically relevant cases the standard implementation of resistive forces into the Kirchhoff rod equations is applicable; however, we note one particular biological system where the Kirchhoff rod formalism may not apply.

  20. Timoshenko beam-column with generalized end conditions on elastic foundation: Dynamic-stiffness matrix and load vector

    Science.gov (United States)

    Arboleda-Monsalve, Luis G.; Zapata-Medina, David G.; Aristizabal-Ochoa, J. Darío

    2008-03-01

    The dynamic-stiffness matrix and load vector of a Timoshenko beam-column resting on a two-parameter elastic foundation with generalized end conditions are presented. The proposed model includes the frequency effects on the stiffness matrix and load vector as well as the coupling effects of: (1) bending and shear deformations along the member; (2) translational and rotational lumped masses at both ends; (3) translational and rotational masses uniformly distributed along its span; (3) axial load (tension or compression) applied at both ends; and (4) shear forces along the span induced by the applied axial load as the beam deforms according to the "modified shear equation" proposed by Timoshenko. The dynamic analyses of framed structures can be performed by including the effects of the imposed frequency ( ω>0) on the dynamic-stiffness matrix and load vector while the static and stability analyses can be carried out by making the frequency ω=0. The proposed model and corresponding dynamic-stiffness matrix and load vector represent a general solution capable to solve, just by using a single segment per element, the static, dynamic and stability analyses of any elastic framed structure made of prismatic beam-columns with semi-rigid connections resting on two-parameter elastic foundations. Analytical results indicate that the elastic behavior of framed structures made of beam-columns is frequency dependent and highly sensitive to the coupling effects just mentioned. Three comprehensive examples are presented to show the capacities and validity of the proposed method and the obtained results are compared with the finite element method and other analytical approaches.

  1. The functional role of protein dynamics in photosynthetic reaction centers investigated by elastic and quasielastic neutron scattering

    Directory of Open Access Journals (Sweden)

    Pieper Jörg

    2015-01-01

    Full Text Available This short review summarizes our current knowledge about the functional relevance of protein dynamics in photosynthetic reaction centers. In the case of Photosystem II membrane fragments, elastic and quasielastic neutron scattering experiments reveal a dynamical transition at about 240 K corresponding to the activation of picosecond molecular motions. Likewise, a “freezing” of molecular dynamics is observed upon dehydration. Intriguingly, these effects correlate with the pronounced temperature- and hydration-dependence of specific electron transfer steps in Photosystem II indicating that molecular dynamics is an indispensable prerequisite for its function. Thus, electron transfer in Photosystem II appears to be a prototypical example for a dynamics-function correlation. Finally, the laser-neutron pump-probe technique is shown to permit in-situ monitoring of molecular dynamics in specific functional states of a protein in real time.

  2. BEM TECHNIQUE FOR THE ANALYSIS OF 2D ELASTIC SOLIDS DYNAMICS

    Directory of Open Access Journals (Sweden)

    Vorona Yu.V.

    2014-12-01

    Full Text Available A numerical approach to calculating the singular parts of the Boundary Integral Equations for 2D elastic solids harmonic vibration is proposed. The validation of the approach in wide range of frequencies is demonstrated. The developed numerical BEM technique is appliead to the problem of elastic solids periodical vibration.

  3. Transient Grating Spectroscopy in Magnetic Thin Films : Simultaneous Detection of Elastic and Magnetic Dynamics

    NARCIS (Netherlands)

    Janusonis, J.; Jansma, T.; Chang, C. L.; Liu, Qi; Gatilova, A.; Lomonosov, A. M.; Shalagatskyi, V.; Pezeril, T.; Temnov, V. V.; Tobey, R. I.

    2016-01-01

    Surface magnetoelastic waves are coupled elastic and magnetic excitations that propagate along the surface of a magnetic material. Ultrafast optical techniques allow for a non-contact excitation and detection scheme while providing the ability to measure both elastic and magnetic components individu

  4. Interfacial layers from the protein HFBII hydrophobin: Dynamic surface tension, dilatational elasticity and relaxation times

    NARCIS (Netherlands)

    Alexandrov, N.A.; Marinova, K.G.; Gurkov, T.D.; Danov, K.D.; Kralchevsky, P.A.; Stoyanov, S.D.; Blijdenstein, T.B.J.; Arnaudov, L.N.; Pelan, E.G.; Lips, A.

    2012-01-01

    The pendant-drop method (with drop-shape analysis) and Langmuir trough are applied to investigate the characteristic relaxation times and elasticity of interfacial layers from the protein HFBII hydrophobin. Such layers undergo a transition from fluid to elastic solid films. The transition is

  5. Neural estimation of kinetic rate constants from dynamic PET-scans

    DEFF Research Database (Denmark)

    Fog, Torben L.; Nielsen, Lars Hupfeldt; Hansen, Lars Kai;

    1994-01-01

    A feedforward neural net is trained to invert a simple three compartment model describing the tracer kinetics involved in the metabolism of [18F]fluorodeoxyglucose in the human brain. The network can estimate rate constants from positron emission tomography sequences and is about 50 times faster ...... than direct fitting of rate constants using the parametrized transients of the compartment model...

  6. Comparative study of sea ice dynamics simulations with a Maxwell elasto-brittle rheology and the elastic-viscous-plastic rheology in NEMO-LIM3

    Science.gov (United States)

    Raulier, Jonathan; Dansereau, Véronique; Fichefet, Thierry; Legat, Vincent; Weiss, Jérôme

    2017-04-01

    Sea ice is a highly dynamical environment characterized by a dense mesh of fractures or leads, constantly opening and closing over short time scales. This characteristic geomorphology is linked to the existence of linear kinematic features, which consist of quasi-linear patterns emerging from the observed strain rate field of sea ice. Standard rheologies used in most state-of-the-art sea ice models, like the well-known elastic-viscous-plastic rheology, are thought to misrepresent those linear kinematic features and the observed statistical distribution of deformation rates. Dedicated rheologies built to catch the processes known to be at the origin of the formation of leads are developed but still need evaluations on the global scale. One of them, based on a Maxwell elasto-brittle formulation, is being integrated in the NEMO-LIM3 global ocean-sea ice model (www.nemo-ocean.eu; www.elic.ucl.ac.be/lim). In the present study, we compare the results of the sea ice model LIM3 obtained with two different rheologies: the elastic-viscous-plastic rheology commonly used in LIM3 and a Maxwell elasto-brittle rheology. This comparison is focused on the statistical characteristics of the simulated deformation rate and on the ability of the model to reproduce the existence of leads within the ice pack. The impact of the lead representation on fluxes between ice, atmosphere and ocean is also assessed.

  7. Determination of the macroscopic elastic constants of a phase embedded in a multiphase polycrystal-application to the {beta}-phase of a Ti-17 titanium based alloy

    Energy Technology Data Exchange (ETDEWEB)

    Freour, S.; Gloaguen, D.; Guillen, R.; Girard, E. [Lab. d' Applications des Materiaux a la Mecanique (LAMM), L.A.M.M. - C.R.T.T., Saint Nazaire (France); Francois, M. [Lab. des Systemes Mecaniques et d' Ingenierie Simultanee (LASMIS), Univ. De Technologie de Troyes, Troyes (France); Bouillo, J. [Dept. Genie Civil - IUT de Saint Nazaire (France)

    2002-07-01

    A one-site elastic self-consistent model following the mathematical formalism introduced by Kroener and Eshelby (KE) has been developed in order to solve the case of multiphase materials. This model has been applied to duplex steels and aluminium - silicium carbide metal matrix composites (MMC) in the aim to study the evolution of their stiffness at pseudomacroscopic scale. Simulations justify the usually implicit hypothesis of the identity of the elastic moduli of a given phase, at macroscopic and pseudomacroscopic scales. The implementation of KE model by this hypothesis yields a new implicit formulation for the stiffness of a given unknown phase embedded in a two-phases material. This original characterization method will be applied to the {beta}-phase of Ti-17 alloy. The singular behaviour in terms of residual pseudomacrostress of each phase after uniaxial loadings will be deduced from these data. (orig.)

  8. Ocean acidification decreases the light-use efficiency in an Antarctic diatom under dynamic but not constant light.

    Science.gov (United States)

    Hoppe, Clara J M; Holtz, Lena-Maria; Trimborn, Scarlett; Rost, Björn

    2015-07-01

    There is increasing evidence that different light intensities strongly modulate the effects of ocean acidification (OA) on marine phytoplankton. The aim of the present study was to investigate interactive effects of OA and dynamic light, mimicking natural mixing regimes. The Antarctic diatom Chaetoceros debilis was grown under two pCO2 (390 and 1000 μatm) and light conditions (constant and dynamic), the latter yielding the same integrated irradiance over the day. To characterize interactive effects between treatments, growth, elemental composition, primary production and photophysiology were investigated. Dynamic light reduced growth and strongly altered the effects of OA on primary production, being unaffected by elevated pCO2 under constant light, yet significantly reduced under dynamic light. Interactive effects between OA and light were also observed for Chl production and particulate organic carbon quotas. Response patterns can be explained by changes in the cellular energetic balance. While the energy transfer efficiency from photochemistry to biomass production (Φe,C ) was not affected by OA under constant light, it was drastically reduced under dynamic light. Contrasting responses under different light conditions need to be considered when making predictions regarding a more stratified and acidified future ocean.

  9. Blood rheology using a Brownian dynamics simulation of bead spring ring with a constant area

    Science.gov (United States)

    Lopez, Rogelio

    Coronary artery disease is epidemic in the western world. Occlusive vascular disease, when considered in terms of total incidence rather than separated to organ involvement, is the leading human's health hazard. A better understanding of occlusive vascular disease is so important that does not need to be justified. Blood theological properties are important factors in the occurrence and onset development of these diseases and may help in a rational approach to predictive and anticipatory therapies. Blood is a suspension of red blood cells (RBC) and therefore has a complex flow behavior. This research presents a Brownian dynamics (BD) model that captures the complex rheological behavior of blood; a three-bead-spring ring with a holonomic constant area constraint is being used to model the RBC in a dilute Newtonian solvent. The BD model has been used in simulations of RBCs to generate the RBC configuration. The stress tensor or momentum flux tensor is obtained as an ensemble average over molecular configurations by Giesekus expression of the stress calculator. This stress calculator makes it possible to obtain the RBC rheological properties of the model blood suspension under different flow conditions: homogeneous simple shear flow, elongational flow, inception of a steady shear flow, stress relaxation after cessation of steady shear flow and flow within narrow vessels by considering the blood microstructure scale process. The model's main results obtained for the specified flows are as follows: (a) Simulations in steady shear flow in an unbounded space the dilute blood suspension model expresses both shear thinning behavior for the viscosity and first normal stress coefficient. (b) In steady elongational flow, the elongational viscosity of the dilute blood suspension increases when the elongational rate increases. (c) Stress growth upon inception of steady shear flow; increasing shear rates does the shear stress approach its steady state monotonically. (d) Stress

  10. Dynamic arterial elastance predicts mean arterial pressure decrease associated with decreasing norepinephrine dosage in septic shock.

    Science.gov (United States)

    Guinot, Pierre-Grégoire; Bernard, Eugénie; Levrard, Mélanie; Dupont, Hervé; Lorne, Emmanuel

    2015-01-19

    Gradual reduction of the dosage of norepinephrine (NE) in patients with septic shock is usually left to the physician's discretion. No hemodynamic indicator predictive of the possibility of decreasing the NE dosage is currently available at the bedside. The respiratory pulse pressure variation/respiratory stroke volume variation (dynamic arterial elastance (Eadyn)) ratio has been proposed as an indicator of vascular tone. The purpose of this study was to determine whether Eadyn can be used to predict the decrease in arterial pressure when decreasing the NE dosage in resuscitated sepsis patients. A prospective study was carried out in a university hospital intensive care unit. All consecutive patients with septic shock monitored by PICCO2 for whom the intensive care physician planned to decrease the NE dosage were enrolled. Measurements of hemodynamic and PICCO2 variables were obtained before/after decreasing the NE dosage. Responders were defined by a >15% decrease in mean arterial pressure (MAP). In total, 35 patients were included. MAP decreased by >15% after decreasing the NE dosage in 37% of patients (n = 13). Clinical characteristics appeared to be similar between responders and nonresponders. Eadyn was lower in responders than in nonresponders (0.75 (0.69 to 0.85) versus 1 (0. 83 to 1.22), P decrease in arterial pressure, with an area under the receiver-operating characteristic curve of 0.87 (95% confidence interval (95% CI): 0.72 to 0.96; P decrease in arterial pressure in response to NE dose reduction. Eadyn may constitute an easy-to-use functional approach to arterial-tone assessment, which may be helpful to identify patients likely to benefit from NE dose reduction.

  11. Effects of elasticity and surface tension on the spreading dynamics of a thin film under the influence of intermolecular forces

    Science.gov (United States)

    Young, Yuan-Nan; Stone, Howard

    2016-11-01

    The spreading dynamics of a thin layer of viscous Newtonian fluid between an elastic sheet and a wetting solid substrate is examined using the lubrication theory. On the wetting substrate an ultra thin film (precursor film) develops as a result of the intermolecular force between the fluid and the wetting solid substrate. Such a precursor film prevents the stress singularity associated with a moving contact line. Following the methodology by, the effects of elasticity on the macroscopic contact line structure in the quasistatic limit are elucidated by an ordinary differential equation derived from an analysis of the energy and its dissipation. Similar to the case of a regular fluid interface with surface tension (capillary spreading), the elasto-capillary thin film profile also consists of a core at the center, an ultra thin film in the far field, and a contact line region where the core film profile connects smoothly to the precursor film. For capillary spreading, the precursor film transitions monotonically to the core film. Due to the interfacial elasticity, a spatial oscillation of film height in the contact line region is found. In addition, it is found that elasticity causes the sliding motion of the thin film: the contact angle close to zero as

  12. Thermo-elastic and lattice dynamical properties of Pd{sub 3}X (X = Ti, Zr, Hf) alloys: An ab initio study

    Energy Technology Data Exchange (ETDEWEB)

    Surucu, G. [Kaman MYO, Ahi Evran Univ., Kaman (Turkey); Colakoglu, K.; Ciftci, Y.O. [Gazi Univ., Teknikokullar, Dept. of Physics, Ankara (Turkey); Ozisik, H.B.; Deligoz, E., E-mail: edeligoz@yahoo.com [Alsaray Univ. (Turkey). Depet. of Physics

    2015-12-15

    Using the generalized-gradient approximation (GGA) based on density functional theory, we have reported the structural, mechanical, electronic, and lattice dynamical properties of the intermetallic compounds Pd{sub 3}X (X = Ti, Zr, Hf) with D0{sub 24} and the L1{sub 2} structures. The elastic constants were predicted using the stress-finite strain technique. We performed numerical estimations of the bulk modulus, shear modulus, Young's modulus, Poisson's ratio anisotropy factor, G/B ratio, and hardness. Our studies have showed that all Pd{sub 3}X (X = Ti, Zr, Hf) with D0{sub 24} and the L1{sub 2} structures are mechanically stable and relatively hard materials with low compressibility, and they could be considered as ductile systems. Also, the phonon dispersion curves and total and partial density of states were calculated and discussed for Pd{sub 3}X (X = Ti, Zr, Hf). We finally estimated some thermodynamic properties such as entropy, free energy, and heat capacity at the temperature range 0–1000 K. The calculated phonon frequencies of Pd{sub 3}X (X = Ti, Zr, Hf) are positive, indicating the dynamical stability of the studied compounds. For the first time, we have performed the numerical estimation of lattice dynamical properties for the compounds and still awaits experimental confirmation. The obtained ground state properties are in good agreement with those of experimental and theoretical studies. (author)

  13. Computational fluid dynamics modeling of airflow inside lungs using heterogenous anisotropic lung tissue elastic properties.

    Science.gov (United States)

    Ilegbusi, Olusegun; Li, Ziang; Min, Yugang; Meeks, Sanford; Kupelian, Patrick; Santhanam, Anand P

    2012-01-01

    The aim of this paper is to model the airflow inside lungs during breathing and its fluid-structure interaction with the lung tissues and the lung tumor using subject-specific elastic properties. The fluid-structure interaction technique simultaneously simulates flow within the airway and anisotropic deformation of the lung lobes. The three-dimensional (3D) lung geometry is reconstructed from the end-expiration 3D CT scan datasets of humans with lung cancer. The lung is modeled as a poro-elastic medium with anisotropic elastic property (non-linear Young's modulus) obtained from inverse lung elastography of 4D CT scans for the same patients. The predicted results include the 3D anisotropic lung deformation along with the airflow pattern inside the lungs. The effect is also presented of anisotropic elasticity on both the spatio-temporal volumetric lung displacement and the regional lung hysteresis.

  14. The Intrinsic Dynamics and Unfolding Process of an Antibody Fab Fragment Revealed by Elastic Network Model

    Directory of Open Access Journals (Sweden)

    Ji-Guo Su

    2015-12-01

    Full Text Available Antibodies have been increasingly used as pharmaceuticals in clinical treatment. Thermal stability and unfolding process are important properties that must be considered in antibody design. In this paper, the structure-encoded dynamical properties and the unfolding process of the Fab fragment of the phosphocholine-binding antibody McPC603 are investigated by use of the normal mode analysis of Gaussian network model (GNM. Firstly, the temperature factors for the residues of the protein were calculated with GNM and then compared with the experimental measurements. A good result was obtained, which provides the validity for the use of GNM to study the dynamical properties of the protein. Then, with this approach, the mean-square fluctuation (MSF of the residues, as well as the MSF in the internal distance (MSFID between all pairwise residues, was calculated to investigate the mobility and flexibility of the protein, respectively. It is found that the mobility and flexibility of the constant regions are higher than those of the variable regions, and the six complementarity-determining regions (CDRs in the variable regions also exhibit relative large mobility and flexibility. The large amplitude motions of the CDRs are considered to be associated with the immune function of the antibody. In addition, the unfolding process of the protein was simulated by iterative use of the GNM. In our method, only the topology of protein native structure is taken into account, and the protein unfolding process is simulated through breaking the native contacts one by one according to the MSFID values between the residues. It is found that the flexible regions tend to unfold earlier. The sequence of the unfolding events obtained by our method is consistent with the hydrogen-deuterium exchange experimental results. Our studies imply that the unfolding behavior of the Fab fragment of antibody McPc603 is largely determined by the intrinsic dynamics of the protein.

  15. Static/dynamic Analysis of Functionally Graded and Layered Magneto-electro-elastic Plate/pipe under Hamiltonian System

    Institute of Scientific and Technical Information of China (English)

    Dai Haitao; Cheng Wei; Li Mingzhi

    2008-01-01

    The 3-dimensional couple equations of magneto-electro-elastic structures are derived under Hamiltonian system based on the Hamilton principle. The problem of single sort of variables is converted into the problem of double sorts of variables, and the Hamilton canonical equations are established. The 3-dimensional problem of magneto-electro-elastic structure which is investigated in Euclidean space commonly is converted into symplectic system. At the same time the Lagrange system is converted into Hamiltonlan system. As an example, the dynamic characteristics of the simply supported functionally graded magneto-electro-elastic material (FGMM) plate and pipe are investigated. Finally, the problem is solved by symplectic algorithm. The results show that the physical quantifies of displace-ment, electric potential and magnetic potential etc. change continuously at the interfaces between layers under the transverse pressure while some other physical quantifies such as the stress, electric and magnetic displacement are not continuous. The dynamic stiffness is increased by the piezoelectric effect while decreased by the piezomagnetic effect.

  16. Dynamic elastic properties from micro-CT images: modeling and experimental validation

    Science.gov (United States)

    Lebedev, M.; Pervukhina, M.; de Paula, O.; Clennell, B.; Gurevich, B.

    2009-04-01

    Knowledge of the elastic properties of rocks is a key factor in seismic interpretation. Elastic properties of rock are determined by its microstructure and their prediction relies on the availability of accurate microstructural models. X-ray computer tomography (CT) as a unique non-destructive technique is becoming a powerful tool in geophysics research which reveals detailed 3D microstructure of rock with special resolution of 1 micron. Recent breakthrough in computational capabilities allows simulation of elastic properties directly using the micro-CT images. In this study we simulate acoustic velocities of sandstones, based on high resolution 3D images and compare simulation results with ultrasonic measurements. Synchrotron images of two sandstones are segmented to separate grain from pore space. The porosity obtained as a result of the segmentation process is compared with the measured porosity for the segmentation quality control. Parallel 3D finite difference (FD) code is used to simulate elastic wave propagation through the digitized two phase media where the total solid phase is supposed to have elastic properties of intact quartz and the pore space is either dry or saturated with water. Attenuation and dispersion of acoustic velocities are obtained at a range of frequencies. The numerical results noticeably overestimate velocities obtained at laboratory experiments at ultrasonic frequencies. The discrepancy can be explained with the fact that grain contacts have strong effect on elastic moduli and are the most speculative part of the simulations. To validate our FD code and calibrate the properties of grain contacts, we simulated elastic wave propagation in aluminum foam with porosity of 40%. All grain contacts in the foam are "solid" and its microstructure is similar to that of moldic carbonates. Preliminary results of FD modeling and comparison with experiment of carbonates are presented as well.

  17. First-principles investigations on structural, elastic, dynamical, and thermal properties of earth-abundant nitride semiconductor CaZn{sub 2}N{sub 2} under pressure

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Ying-Qin; Liu, Lei; Cheng, Yan [Sichuan Univ. (China). College of Physical Science and Technology; Hu, Cui E. [Chongqing Normal Univ. (China). College of Physics and Electronic Engineering; Cai, Ling-Cang [CAEP, Mianyang (China). National Key Laboratory for Shock Wave and Detonation Physics Research

    2017-04-01

    We presented a detailed first-principal calculation to study the structural, elastic, dynamical, and thermal properties of a new synthetic ternary zinc nitride semiconductors CaZn{sub 2}N{sub 2} using the generalised gradient approximation (GGA) method. The obtained lattice parameters of CaZn{sub 2}N{sub 2} at 0 K and 0 GPa are in good agreement with the experimental data and other theoretical findings. The pressure dependences of the elastic constants C{sub ij} together with other derived mechanical properties of CaZn{sub 2}N{sub 2} compound have also been systematically investigated. The results reveal that CaZn{sub 2}N{sub 2} is mechanically stable up to 20 GPa. The calculated the phonon curves and phonon density of states under different pressures indicate that the CaZn{sub 2}N{sub 2} compound maintains its dynamical stability up to 20 GPa. An analysis in terms of the irreducible representations of group theory obtained the optical vibration modes of this system, and we obtained the frequencies of the optical vibrational modes at Γ points together with the atoms that contributed to these vibrations of CaZn{sub 2}N{sub 2}. Meanwhile, the pressure dependencies of the frequencies Raman-active and IR-active modes at 0-20 GPa have been studied. The quasi-harmonic approximation (QHA) was applied to calculate the thermal properties of CaZn{sub 2}N{sub 2} as functions of pressures and temperatures such as the heat capacity, thermal expansions, the entropy, and Grueneisen parameter γ.

  18. Dynamical Solution of the SGEMP Electron Boundary Layer for Linearly Rising and Constant X-Ray Time Histories

    Science.gov (United States)

    1976-12-01

    The time dependent solution is presented for the dynamical behavior of the one dimensional electron boundary layer formed when X-rays knock photoelectrons out of a material surface. The X-ray flux is taken to be either linearly rising in time or constant in time . Two electron energy spectra are considered-exponential and linear-times-exponential. The electrons are assumed to have a cos theta

  19. Molecular Dynamics Simulation of Structural Characterization of Elastic and Inelastic Deformation in ZrCu Metallic Glasses

    Directory of Open Access Journals (Sweden)

    Shidong Feng

    2014-01-01

    Full Text Available The nanoscopic deformation behaviors in a ZrCu metallic glass model during loading-unloading process under uniaxial compression have been analyzed on the basis of the molecular dynamics (MD. The reversible degree of shear origin zones (SOZs is used as the structural indicator to distinguish the elastic deformation and inelastic deformation of ZrCu metallic glass at the atomic level. We find that the formation of SOZs is reversible at the elastic stage but irreversible at the inelastic stage during the loading and unloading processes. At the inelastic stage, the full-icosahedra fraction in SOZs is quickly reduced with increased strain and the decreasing process is also irreversible during the unloading processes.

  20. Size-dependent dynamic pull-in instability of vibrating electrically actuated microbeams based on the strain gradient elasticity theory

    Science.gov (United States)

    Sedighi, Hamid M.

    2014-02-01

    This paper presents the impact of vibrational amplitude on the dynamic pull-in instability and fundamental frequency of actuated microbeams by introducing the second order frequency-amplitude relationship. The nonlinear governing equation of microbeam predeformed by an electric force including the fringing field effect, based on the strain gradient elasticity theory is considered. The predicted results of the strain gradient elasticity theory are compared with the outcomes that arise from the classical and modified couple stress theory. The influences of basic nondimensional parameters on the pull-in instability as well as the natural frequency are investigated by a powerful asymptotic approach namely the Parameter Expansion Method (PEM). It is demonstrated that two terms in series expansions are sufficient to produce an acceptable solution of the microstructure. The phase portrait of the microstructure shows that by increasing the actuation voltage parameter, the stable center point loses its stability and coalesces with unstable saddle node.

  1. Dynamics of a stochastic tuberculosis model with constant recruitment and varying total population size

    Science.gov (United States)

    Liu, Qun; Jiang, Daqing; Shi, Ningzhong; Hayat, Tasawar; Alsaedi, Ahmed

    2017-03-01

    In this paper, we develop a mathematical model for a tuberculosis model with constant recruitment and varying total population size by incorporating stochastic perturbations. By constructing suitable stochastic Lyapunov functions, we establish sufficient conditions for the existence of an ergodic stationary distribution as well as extinction of the disease to the stochastic system.

  2. Dynamic behavior of pre- and post-instability of an axisymmetric elastic beam subjected to axial leakage flow

    Energy Technology Data Exchange (ETDEWEB)

    Fujita, K.; Morikazu, H.; Shintani, A. [Osaka Prefectural Univ., Mechanical Systems Engineering, Graduate School of Engineering (Japan)

    2004-07-01

    The dynamic behavior of an axisymmetric elastic beam subjected to axial leakage flow is investigated numerically and experimentally. The coupled equations of motion for a fluid and a beam structure are derived using the Navier-Stokes equation for an axial leakage flow-path and the Euler-Bernoulli beam theory. The variation in the dynamic behavior during pre- and post-instability is investigated with respect to increasing axial leakage flow velocity. The experiment was performed to determine the critical velocity of the unstable dynamic behavior of an axisymmetric elastic beam confined in a concentric cylinder subjected to axial leakage flow through a small annulus, and to measure the variation of the dynamic behavior during pre- and post-instability when the unstable phenomenon with the lower predominant frequency is shifted to the higher. The relationships between the axial flow velocities and the unstable phenomena are clarified for the transition from the lower mode to the higher mode by comparing the numerical simulation results with experimental observations. (authors)

  3. Perfect elastic-viscoplastic field at mode Ⅰ dynamic propagating crack-tip

    Institute of Scientific and Technical Information of China (English)

    WANG Zhen-qing; LIANG Wen-yan; ZHOU Bo; SU Juan

    2007-01-01

    The viscosity of material is considered at propagating crack-tip. Under the assumption that the artificial viscosity coefficient is in inverse proportion to power law of the plastic strain rate, an elastic-viscoplastic asymptotic analysis is carried out for moving crack-tip fields in power-hardening materials under plane-strain condition. A continuous solution is obtained containing no discontinuities. The variations of numerical solution are discussed for mode Ⅰ crack according to each parameter. It is shown that stress and strain both possess exponential singularity. The elasticity, plasticity and viscosity of material at crack-tip only can be matched reasonably under linear-hardening condition. And the tip field contains no elastic unloading zone for mode Ⅰ crack. It approaches the limiting case, crack-tip is under ultra-viscose situation and energy accumulates, crack-tip begins to propagate under different compression situations.

  4. Elasticity of hcp cobalt at high pressure and temperature: a quasi-harmonic case

    Energy Technology Data Exchange (ETDEWEB)

    Antonangeli, D; Krisch, M; Farber, D L; Ruddle, D G; Fiquet, G

    2007-11-30

    We performed high-resolution inelastic x-ray scattering measurements on a single crystal of hcp cobalt at simultaneous high pressure and high temperature, deriving 4 of the 5 independent elements of the elastic tensor. Our experiments indicate that the elasticity of hcp-Co is well described within the frame of a quasi-harmonic approximation and that anharmonic high-temperature effects on the elastic moduli, sound velocities and elastic anisotropy are minimal at constant density. These results support the validity of the Birch's law and represent an important benchmark for ab initio thermal lattice dynamics and molecular-dynamics simulations.

  5. NVU dynamics. I. Geodesic motion on the constant-potential-energy hypersurface

    DEFF Research Database (Denmark)

    Ingebrigtsen, Trond; Toxværd, Søren; Heilmann, Ole

    2011-01-01

    An algorithm is derived for computer simulation of geodesics on the constant-potential-energy hypersurface of a system of N classical particles. First, a basic time-reversible geodesic algorithm is derived by discretizing the geodesic stationarity condition and implementing the constant......-potential-energy constraint via standard Lagrangian multipliers. The basic NVU algorithm is tested by single-precision computer simulations of the Lennard-Jones liquid. Excellent numerical stability is obtained if the force cutoff is smoothed and the two initial configurations have identical potential energy within machine...... that ensures potential-energy and step-length conservation; center-of-mass drift is also eliminated. Analytical arguments confirmed by simulations demonstrate that the modified NVU algorithm is absolutely stable. Finally, we present simulations showing that the NVU algorithm and the standard leap-frog NVE...

  6. Elastic limit of silicane.

    Science.gov (United States)

    Peng, Qing; De, Suvranu

    2014-10-21

    Silicane is a fully hydrogenated silicene-a counterpart of graphene-having promising applications in hydrogen storage with capacities larger than 6 wt%. Knowledge of its elastic limit is critical in its applications as well as tailoring its electronic properties by strain. Here we investigate the mechanical response of silicane to various strains using first-principles calculations based on density functional theory. We illustrate that non-linear elastic behavior is prominent in two-dimensional nanomaterials as opposed to bulk materials. The elastic limits defined by ultimate tensile strains are 0.22, 0.28, and 0.25 along armchair, zigzag, and biaxial directions, respectively, an increase of 29%, 33%, and 24% respectively in reference to silicene. The in-plane stiffness and Poisson ratio are reduced by a factor of 16% and 26%, respectively. However, hydrogenation/dehydrogenation has little effect on its ultimate tensile strengths. We obtained high order elastic constants for a rigorous continuum description of the nonlinear elastic response. The limitation of second, third, fourth, and fifth order elastic constants are in the strain range of 0.02, 0.08, and 0.13, and 0.21, respectively. The pressure effect on the second order elastic constants and Poisson's ratio were predicted from the third order elastic constants. Our results could provide a safe guide for promising applications and strain-engineering the functions and properties of silicane monolayers.

  7. Rotational elasticity

    Science.gov (United States)

    Vassiliev, Dmitri

    2017-04-01

    We consider an infinite three-dimensional elastic continuum whose material points experience no displacements, only rotations. This framework is a special case of the Cosserat theory of elasticity. Rotations of material points are described mathematically by attaching to each geometric point an orthonormal basis that gives a field of orthonormal bases called the coframe. As the dynamical variables (unknowns) of our theory, we choose the coframe and a density. We write down the general dynamic variational functional for our rotational theory of elasticity, assuming our material to be physically linear but the kinematic model geometrically nonlinear. Allowing geometric nonlinearity is natural when dealing with rotations because rotations in dimension three are inherently nonlinear (rotations about different axes do not commute) and because there is no reason to exclude from our study large rotations such as full turns. The main result of the talk is an explicit construction of a class of time-dependent solutions that we call plane wave solutions; these are travelling waves of rotations. The existence of such explicit closed-form solutions is a non-trivial fact given that our system of Euler-Lagrange equations is highly nonlinear. We also consider a special case of our rotational theory of elasticity which in the stationary setting (harmonic time dependence and arbitrary dependence on spatial coordinates) turns out to be equivalent to a pair of massless Dirac equations. The talk is based on the paper [1]. [1] C.G.Boehmer, R.J.Downes and D.Vassiliev, Rotational elasticity, Quarterly Journal of Mechanics and Applied Mathematics, 2011, vol. 64, p. 415-439. The paper is a heavily revised version of preprint https://arxiv.org/abs/1008.3833

  8. Static and dynamic stability results for a class of three-dimensional configurations of Kirchhoff elastic rods

    KAUST Repository

    Majumdar, Apala

    2013-06-01

    We analyze the dynamical stability of a naturally straight, inextensible and unshearable elastic rod, under tension and controlled end rotation, within the Kirchhoff model in three dimensions. The cases of clamped boundary conditions and isoperimetric constraints are treated separately. We obtain explicit criteria for the static stability of arbitrary extrema of a general quadratic strain energy. We exploit the equivalence between the total energy and a suitably defined norm to prove that local minimizers of the strain energy, under explicit hypotheses, are stable in the dynamic sense due to Liapounov. We also extend our analysis to damped systems to show that static equilibria are dynamically stable in the Liapounov sense, in the presence of a suitably defined local drag force. © 2013 Elsevier B.V. All rights reserved.

  9. Dynamic buckling of elastic-plastic cylindrical shells and axial stress waves

    Institute of Scientific and Technical Information of China (English)

    徐新生; 苏先樾; 王仁

    1995-01-01

    The mechanism for bifurcation of elastic-plastic buckling of the semi-infinite cylindrical shell under impacting axial loads is proposed based on the theory of stress wave. Numerical results on three kinds of end supports and step and impulse loads are given.

  10. The Relaxed Universe: Towards solving the cosmological constant problem dynamically from an effective action functional of gravity

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, Florian, E-mail: fbauer@ecm.ub.e [HEP Group, Dept. ECM and Institut de Ciencies del Cosmos, Univ. de Barcelona, Av. Diagonal 647, E-08028 Barcelona, Catalonia (Spain); Sola, Joan, E-mail: sola@ecm.ub.e [HEP Group, Dept. ECM and Institut de Ciencies del Cosmos, Univ. de Barcelona, Av. Diagonal 647, E-08028 Barcelona, Catalonia (Spain); Stefancic, Hrvoje, E-mail: shrvoje@thphys.irb.h [Theoretical Physics Division, Rudjer Boskovic Institute, PO Box 180, HR-10002 Zagreb (Croatia)

    2010-05-10

    We present an unconventional approach for addressing the old cosmological constant (CC) problem in a class of F(R,G) models of modified gravity. For a CC of arbitrary size and sign the corresponding cosmological evolution follows an expansion history which strikingly resembles that of our real universe. The effects of the large CC are relaxed dynamically and there is no fine-tuning at any stage. In addition, the relaxation mechanism alleviates the coincidence problem. The upshot is that a large cosmological constant and the observed cosmic expansion history coexist peacefully in the Relaxed Universe. This model universe can be thought of as an interesting preliminary solution of the cosmological constant problem, in the sense that it provides a successful dynamical mechanism able to completely avoid the fine-tuning problem (the toughest aspect of the CC problem). However, since the Relaxed Universe is formulated within the context of modified gravity, it may still suffer of some of the known issues associated with these theories, and therefore it can be viewed only as a toy-model proposal towards a final solution of the CC problem.

  11. Elastic Constants of Aluminum Alloys, 2024-T3510, 5083-H131 and 7039-T64 as Measured by a Sonic Technique

    Science.gov (United States)

    1976-08-01

    23 13 1 /L 3 I I i I I I I. INTRODUCTION The sonic tests reported herein were conducted in connection with the Core Materials Program of the Solid...Mechanics Branch of the Terminal Ballistics Laboratory. The purpose of the Core Materials Program is to characterize the mechanical behavior of armor and...that shown in Figure 2. Poisson’s ratio for steels8,10 is reported to remain constant or to increase slightly as the temperature is raised. Daca on

  12. Application of bi-Helmholtz nonlocal elasticity and molecular simulations to the dynamical response of carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Koutsoumaris, C. Chr.; Tsamasphyros, G. J. [School of Applied Mathematical and Physical Sciences National Technical University of Athens (NTUA) 5 Iroon Polytechniou Str., Zografou, Zografou Campus, Athens, GR-157 73 (Greece); Vogiatzis, G. G.; Theodorou, D. N. [School of Chemical Engineering National Technical University of Athens (NTUA) 5 Iroon Polytechniou Str., Zografou, Zografou Campus, Athens, GR-157 73 (Greece)

    2015-12-31

    The nonlocal theory of elasticity is employed for the study of the free vibrations of carbon nanotubes (CNT). For the first time, a bi-Helmholtz operator has been used instead of the standard Helmholtz operator in a nonlocal beam model. Alongside the continuum formulation and its numerical solution, atomistic Molecular Dynamics (MD) simulations have been conducted in order to directly evaluate the eigenfrequencies of vibrating CNTs with a minimum of adjustable parameters. Our results show that the bi-Helmholtz operator is the most appropriate one to fit MD simulation results. However, the estimation of vibration eigenfrequencies from molecular simulations still remains an open (albeit well-posed) problem.

  13. The dynamic behavior of two collinear cracks in magneto-electro-elastic composites under harmonic anti-plane shear waves

    Institute of Scientific and Technical Information of China (English)

    SUN Yu-guo; WU Lin-zhi

    2005-01-01

    The dynamic behavior of two collinear cracks in magneto-electro-elastic composites under harmonic anti-plane shear waves is studied using the Schmidt method for the permeable crack surface conditions. By using the Fourier transform, the problem can be solved with a set of triple integral equations in which the unknown variable is the jump of the displacements across the crack surfaces. In solving the triple integral equations, the jump of the displacements across the crack surface is expanded in a series of Jacobi polynomials. It can be obtained that the stress field is independent of the electric field and the magnetic flux.

  14. Dynamic characteristics of a simple constant-temperature hot-wire anemometer.

    Science.gov (United States)

    Lu, S S

    1979-06-01

    A simple constant-temperatue hot-wire anemometer has been analyzed and tested in a shock tube and by electronic tests. In the derivation of the governing equations, the finite open-loop gain of an operational amplifier is considered. The measured values of the natural frequency and the damping coefficient for the anemometer system are in satisfactory agreement with the theory. For short probe cables, the frequency response is found to be limited by the finite open-loop gain of the amplifier.

  15. Relativistic point dynamics general equations, constant proper masses, interactions between electric charges, variable proper masses, collisions

    CERN Document Server

    Arzeliès, Henri

    1972-01-01

    Relativistic Point Dynamics focuses on the principles of relativistic dynamics. The book first discusses fundamental equations. The impulse postulate and its consequences and the kinetic energy theorem are then explained. The text also touches on the transformation of main quantities and relativistic decomposition of force, and then discusses fields of force derivable from scalar potentials; fields of force derivable from a scalar potential and a vector potential; and equations of motion. Other concerns include equations for fields; transfer of the equations obtained by variational methods int

  16. Dynamic impedance of piles in visco-elastic material considering axial loads

    Institute of Scientific and Technical Information of China (English)

    JIANG Jian-guo; ZHOU Xu-hong; ZHANG Jia-sheng

    2005-01-01

    The dynamic impedance function of pile in visco-elastie material considering axial loads under lateral dynamic force was analyzed, and the beam dynamic differential equation was used to induce the dynamic impedance function. After analyzing the edge conditions, the dynamic impedance functions were deduced. Contrasted with the result that does not consider axial loads, the axial loads have obvious influence on the dynamic impedance function.And the results show that the dimensionless prarmeter of the dynamic impedance will change from 6 % to 9 % when considering axial loads, and dimensionless prarmeter of the dynamic impedance of the coupling horizontal-sway will increase by 31 %.

  17. 晶体弹性常数的新算法、数据库与材料设计%A New Algorithm and Database for Elastic Constants of Crystals and Materials Design

    Institute of Scientific and Technical Information of China (English)

    于荣; 刘麟汗

    2014-01-01

    晶体弹性是材料的基本属性,是材料科学、固体物理、固体化学,以及地质科学等研究领域中的重要考虑因素。由于单晶弹性常数的实验测量比较困难,在数万种无机晶体中只有约1%的晶体的单晶弹性常数是已知的,因此经常需要从理论上计算晶体弹性。我们基于从应变到应力空间的映射,设计开发了新的单晶弹性常数算法与软件。与此前的算法相比,新算法的计算效率高,普适性好。我们在此基础上通过海量计算建立了晶体弹性数据库,并陆续收集了已知的实验数据。以材料的硬度为例,通过数据库进行数据挖掘,揭示了最软弹性形变模式控制材料硬度的“木桶效应”。论文还展示了这一木桶效应在材料设计中的应用。结果表明,通过氮或铼的合金化强化最软的弹性模式,可以进一步提高这种硬质材料的硬度。%The elasticity is a fundamental property of crystalline materials and is of great importance in physical sciences, including materials science, solid state physics and chemistry, and geological sciences. To measure the full set of elastic constants experimentally, single crystals of macroscopic size are typically required, making the full set of elastic constants available only for a very small portion of known materials. We designed a new algorithm and the corresponding software to calculate single-crystal elastic constants. Compared with previous algorithms, the new one is computationally more efficient and can be universally applied to crystals of any symmetry. Through high throughput calculations using the new algorithm, we established a database of elasticity of crystals, which also includes experimental data. Based on the database, we revealed the controlling factor of materials hardness through data mining. Materials design for hard alloys was performed by considering the controlling factor.

  18. Dielectric Constant and Structure of Liquid 18-Crown-6 Calculated from Molecular Dynamics Simulations

    NARCIS (Netherlands)

    Leuwerink, F.T.H.; Briels, W.J.

    1997-01-01

    The results are presented for molecular dynamics simulations of liquid 18-crown-6 using different potential models. The results offer the possibility of investigating the influence of the flexibility of the dihedral angles and the effects of the united atom approach. The radial distribution function

  19. Dynamic proteome analysis of Cyanothece sp. ATCC 51142 under constant light

    Energy Technology Data Exchange (ETDEWEB)

    Aryal, Uma K.; Stockel, Jana; Welsh, Eric A.; Gritsenko, Marina A.; Nicora, Carrie D.; Koppenaal, David W.; Smith, Richard D.; Pakrasi, Himadri B.; Jacobs, Jon M.

    2012-02-03

    Understanding the dynamic nature of protein abundances provides insights into protein turnover not readily apparent from conventional, static mass spectrometry measurements. This level of data is particularly informative when surveying protein abundances in biological systems subjected to large perturbations or alterations in environment such as cyanobacteria. Our current analysis expands upon conventional proteomic approaches in cyanobacteria by measuring dynamic changes of the proteome using a 13C15N-L-leucine metabolic labeling in Cyanothece ATCC51142. Metabolically labeled Cyanothece ATCC51142 cells grown under nitrogen sufficient conditions in continuous light were monitored longitudinally for isotope incorporation over a 48 h period, revealing 422 proteins with dynamic changes in abundances. In particular, proteins involved in carbon fixation, pentose phosphate pathway, cellular protection, redox regulation, protein folding, assembly and degradation showed higher levels of isotope incorporation suggesting that these biochemical pathways are important for growth under non-diazotrophic conditions. Calculation of relative isotope abundances (RIA) values allowed to measure actual active protein synthesis over time for different biochemical pathways under non-diazotrophic conditions. Overall results demonstrated the utility of 'non-steady state' pulsed metabolic labeling for systems-wide dynamic quantification of the proteome in Cyanothece ATCC51142 that can also be applied to other cyanobacteria.

  20. Dynamic proteome analysis of Cyanothece sp. ATCC 51142 under constant light.

    Science.gov (United States)

    Aryal, Uma K; Stöckel, Jana; Welsh, Eric A; Gritsenko, Marina A; Nicora, Carrie D; Koppenaal, David W; Smith, Richard D; Pakrasi, Himadri B; Jacobs, Jon M

    2012-02-03

    Understanding the dynamic nature of protein abundances provides insights into protein turnover not readily apparent from conventional, static mass spectrometry measurements. This level of data is particularly informative when surveying protein abundances in biological systems subjected to large perturbations or alterations in environment such as cyanobacteria. Our current analysis expands upon conventional proteomic approaches in cyanobacteria by measuring dynamic changes of the proteome using a (13)C(15)N-l-leucine metabolic labeling in Cyanothece ATCC51142. Metabolically labeled Cyanothece ATCC51142 cells grown under nitrogen-sufficient conditions in continuous light were monitored longitudinally for isotope incorporation over a 48 h period, revealing 414 proteins with dynamic changes in abundances. In particular, proteins involved in carbon fixation, pentose phosphate pathway, cellular protection, redox regulation, protein folding, assembly, and degradation showed higher levels of isotope incorporation, suggesting that these biochemical pathways are important for growth under continuous light. Calculation of relative isotope abundances (RIA) values allowed the measurement of actual active protein synthesis over time for different biochemical pathways under high light exposure. Overall results demonstrated the utility of "non-steady state" pulsed metabolic labeling for systems-wide dynamic quantification of the proteome in Cyanothece ATCC51142 that can also be applied to other cyanobacteria.

  1. The Dynamic Response of an Euler-Bernoulli Beam on an Elastic Foundation by Finite Element Analysis using the Exact Stiffness Matrix

    Science.gov (United States)

    Kim, Jeong Soo; Kyum Kim, Moon

    2012-08-01

    In this study, finite element analysis of beam on elastic foundation, which received great attention of researchers due to its wide applications in engineering, is performed for estimating dynamic responses of shallow foundation using exact stiffness matrix. First, element stiffness matrix based on the closed solution of beam on elastic foundation is derived. Then, we performed static finite element analysis included exact stiffness matrix numerically, comparing results from the analysis with some exact analysis solutions well known for verification. Finally, dynamic finite element analysis is performed for a shallow foundation structure under rectangular pulse loading using trapezoidal method. The dynamic analysis results exist in the reasonable range comparing solution of single degree of freedom problem under a similar condition. The results show that finite element analysis using exact stiffness matrix is evaluated as a good tool of estimating the dynamic response of structures on elastic foundation.

  2. Third-order Elastic Constants of Bi12GeO20 Crystal%立方晶体Bi12GeO20的三阶弹性常数

    Institute of Scientific and Technical Information of China (English)

    吴昆裕; 邵继红

    2001-01-01

    By using of the ultrasonic pulse-echo overlap technique, the dependence of natural wave velocity on the hydrostatic pressure and uniaxial stress in cubic crystal Bi12 GeO20 was measured for various longitudinal and shear elastic modes. From the experimental results, the values of all independent second- and third-order elastic stiffness constants of Bi12GeO20 crystal were determined by means of the theory proposed by Thurston and Brugger.%用超声脉冲回波重合方法测量了立方晶体Bi12GeO20中九种不同模式纯纵波和 切变波自然声速值随流体静压力和单轴压力的变化关系,由此实验结果,用Thurston 和Brugger的理论,确定了Bi12GeO20晶体全部独立的三阶弹性常数.

  3. Electric field dependence of nonlinearity parameters and third order elastic constants of 0.70Pb(Mg(13)Nb(23))O(3)-0.30PbTiO(3) single crystal.

    Science.gov (United States)

    Liu, Xiaozhou; Zhang, Shujun; Luo, Jun; Shrout, Thomas R; Cao, Wenwu

    2010-02-01

    Through second harmonic measurements, the ultrasonic nonlinearity parameters of [001](c) and [111](c) polarized 0.70Pb(Mg(13)Nb(23))O(3)-0.30PbTiO(3)(PMN-0.3PT) single crystals have been measured as a function of bias electric field. It was found that the nonlinearity parameter increases almost linearly with field at low field but shows a drastic increase near the coercive field. The [111](c) polarized single domain crystal has much smaller nonlinearity parameter than that of the [001](c) polarized multidomain crystal. Based on effective symmetries of these crystals, we were able to derive the field dependence of several third order elastic constants, which are important parameters for high field applications.

  4. Electric field dependence of nonlinearity parameters and third order elastic constants of 0.70Pb(Mg1∕3Nb2∕3)O3–0.30PbTiO3 single crystal

    Science.gov (United States)

    Liu, Xiaozhou; Zhang, Shujun; Luo, Jun; Shrout, Thomas R.; Cao, Wenwu

    2010-01-01

    Through second harmonic measurements, the ultrasonic nonlinearity parameters of [001]c and [111]c polarized 0.70Pb(Mg1∕3Nb2∕3)O3–0.30PbTiO3(PMN–0.3PT) single crystals have been measured as a function of bias electric field. It was found that the nonlinearity parameter increases almost linearly with field at low field but shows a drastic increase near the coercive field. The [111]c polarized single domain crystal has much smaller nonlinearity parameter than that of the [001]c polarized multidomain crystal. Based on effective symmetries of these crystals, we were able to derive the field dependence of several third order elastic constants, which are important parameters for high field applications. PMID:20198132

  5. Third-Order Elastic Constants and Anharmonic Properties of the Zr41.2Ti13.8Cu12.5Ni10.0Be22.5 Bulk Metallic Glass

    Institute of Scientific and Technical Information of China (English)

    WANG Ru-Ju; LI Feng-Ying; QIN Zhi-Cheng; WANG Wei-Hua

    2001-01-01

    The longitudinal velocity V1 and shear velocity Vs of an ultrasonic wave propagated along three arbitrary perpendicular directions of the Zr41.2 Ti13.8Cu12.5Ni10.0Be22.5 bulk metallic glass (Zr/Ti BMG) have been measured at ambient pressure, under hydrostatic pressure (up to 0.5 GPa) and uniaxial compression (up to 70 MPa) using the pulse echo overlap method. The third-order elastic constants and the Gruneisen parameter related to the anharmonic properties were derived and discussed. It was found that the BMG with marked different microstructural characteristics, compared with the amorphous carbon, exhibited different behaviours related to shear vibratory under high pressure.

  6. Constant pH Molecular Dynamics in Explicit Solvent with Enveloping Distribution Sampling and Hamiltonian Exchange.

    Science.gov (United States)

    Lee, Juyong; Miller, Benjamin T; Damjanović, Ana; Brooks, Bernard R

    2014-07-08

    We present a new computational approach for constant pH simulations in explicit solvent based on the combination of the enveloping distribution sampling (EDS) and Hamiltonian replica exchange (HREX) methods. Unlike constant pH methods based on variable and continuous charge models, our method is based on discrete protonation states. EDS generates a hybrid Hamiltonian of different protonation states. A smoothness parameter s is used to control the heights of energy barriers of the hybrid-state energy landscape. A small s value facilitates state transitions by lowering energy barriers. Replica exchange between EDS potentials with different s values allows us to readily obtain a thermodynamically accurate ensemble of multiple protonation states with frequent state transitions. The analysis is performed with an ensemble obtained from an EDS Hamiltonian without smoothing, s = ∞, which strictly follows the minimum energy surface of the end states. The accuracy and efficiency of this method is tested on aspartic acid, lysine, and glutamic acid, which have two protonation states, a histidine with three states, a four-residue peptide with four states, and snake cardiotoxin with eight states. The pKa values estimated with the EDS-HREX method agree well with the experimental pKa values. The mean absolute errors of small benchmark systems range from 0.03 to 0.17 pKa units, and those of three titratable groups of snake cardiotoxin range from 0.2 to 1.6 pKa units. This study demonstrates that EDS-HREX is a potent theoretical framework, which gives the correct description of multiple protonation states and good calculated pKa values.

  7. Dynamics behaviour of an elastic non-ideal (NIS) portal frame, including fractional nonlinearities

    Science.gov (United States)

    Balthazar, J. M.; Brasil, R. M. L. F.; Felix, J. L. P.; Tusset, A. M.; Picirillo, V.; Iluik, I.; Rocha, R. T.; Nabarrete, A.; Oliveira, C.

    2016-05-01

    This paper overviews recent developments on some problems related to elastic structures, such as portal frames, taking into account the full interactions of the vibrating systems, with an energy source of limited power supply (small motors, electro-mechanical shakers). We include a discussion on fractional (rational) damping and stiffness effects on the adopted modelling. This was a plenary lecture, delivered in the event titled: Mechanics of Slender Structures, organized in Northampton, England from 21-22, September 2015.

  8. Algorithm of Dynamic Operation Process of Hydraulic Automatically Operated Canals with Constant-Downstream Level Gates

    Institute of Scientific and Technical Information of China (English)

    ZHANG Li-wei; FENG Xiao-bo; WANG Chang-de

    2005-01-01

    On the basis of analysis the governing process of downstream water level gates AVIO and AVIS, a mathematical model for simulation of dynamic operation process of hydraulically automated irrigation canals installed with AVIO and AVIS gates is presented. the main point of this mathematical model is firstly applying a set of unsteady flow equations (St. Venant equations here) and treating the condition of gate movement as its dynamic boundary, and then decoupling this interaction of gate movement with the change of canal flow. In this process, it is necessary to give the gates' open-loop transfer function whose input is water level deviation and output is gate discharge. The result of this simulation for a practical reach has shown it has satisfactory accuracy.

  9. Different strategy of hand choice after learning of constant and incremental dynamical perturbation in arm reaching

    Directory of Open Access Journals (Sweden)

    Chie eHabagishi

    2014-02-01

    Full Text Available In daily life, we encounter situations where we must quickly decide which hand to use for a motor action. Here, we investigated whether the hand chosen for a motor action varied over a short timescale (i.e., hours with changes in arm dynamics. Participants performed a reaching task in which they moved a specified hand to reach a target on a virtual reality display. During the task, a resistive viscous force field was abruptly applied to only the dominant hand. To evaluate changes in hand choice caused by this perturbation, participants performed an interleaved choice test in which they could freely choose either hand for reaching. Furthermore, to investigate the effect of temporal changes on arm dynamics and hand choice, we exposed the same participants to another condition in which the force field was introduced gradually. When the abrupt force was applied, use of the perturbed hand significantly decreased and not changed during the training. In contrast, when the incremental force was applied, use of the perturbed hand gradually decreased as force increased. Surprisingly, even though the final amount of force was identical between the two conditions, hand choice was significantly biased toward the unperturbed hand in the gradual condition. These results suggest that time-varying changes in arm dynamics may have a greater influence on hand choice than the amplitude of the resistant force itself.

  10. Quasi-Elastic Neutron Scattering (QENS) Studies of Hydrogen Dynamics for Nano-Confined NaAlH4

    Science.gov (United States)

    Dobbins, Tabbetha; Narasegowda, Shathabish; Brown, Craig; Tyagi, Madhusudan; Jenkins, Timothy

    The hydrogen dynamics of nano-confined sodium alanate (NaAlH4) has been studied using quasi-elastic neutron scattering (QENS). Results indicate thermodynamic destabilization is responsible for reduced desorption temperatures of NaAlH4 upon confinement within the nanopores of a metal organic framework (MOF). Both the bulk (microscale) NaAlH4 and the nanoconfined NaAlH4 data were fitted to re-orientation models which yielded corresponding percent mobile hydrogen and jump lengths. The jump lengths calculated from the nano-NaAlH4 were ~2.5 Å, and in conformity with those jump lengths determined for bulk NaAlH4 of ~2.3 Å. As much as 18 % of the hydrogen atoms were estimated to be mobile in the nano-NaAlH4 sample even at relatively low temperatures of 350 K. In contrast, bulk NaAlH4 shows less than 7 % mobile H-atoms even at higher temperatures of ~450 K. The activation energy for the long range is 3.1meV. Quasi-Elastic Neutron Scattering (QENS) Studies of Hydrogen Dynamics for Nano-Confined NaAlH4.

  11. Free vibration analysis of multi-layer graphene nanoribbons incorporating interlayer shear effect via molecular dynamics simulations and nonlocal elasticity

    Energy Technology Data Exchange (ETDEWEB)

    Nazemnezhad, Reza, E-mail: rnazemnezhad@iust.ac.ir [School of Mechanical Engineering, Iran University of Science and Technology, Narmak, Tehran (Iran, Islamic Republic of); Hosseini-Hashemi, Shahrokh [School of Mechanical Engineering, Iran University of Science and Technology, Narmak, Tehran (Iran, Islamic Republic of); Center of Excellence in Railway Transportation, Iran University of Science and Technology, Narmak, Tehran (Iran, Islamic Republic of)

    2014-09-12

    Free vibration of cantilever multi-layer graphene nanoribbons (MLGNRs) with interlayer shear effect is investigated using molecular dynamics simulations (MD) and nonlocal elasticity. Because of similarity of MLGNRs to sandwich structures, sandwich formulations are expressed in the nonlocal form. By comparing the first two frequencies of MLGNRs with various layers and lengths obtained using MD simulations with those of the nonlocal sandwich formulation; the nonlocal parameter is calibrated to match the results of two methods. The results reveal that the calibrated nonlocal parameter for predicting the second frequencies is dependent on the number of MLGNR layers, and it increases by increasing the number of layers. - Highlights: • Nonlocal parameter is calibrated for vibration of multi-layer graphene nanoribbons. • Interlayer shear effect between GNR layers is also considered. • Two first nonlocal frequencies are obtained using sandwich formulation. • Molecular dynamics simulations are done for nonlocal parameter calibration.

  12. Succinct Dynamic Cardinal Trees with Constant Time Operations for Small Alphabet

    DEFF Research Database (Denmark)

    Davoodi, Pooya; Satti, Srinivasa Rao

    2011-01-01

    ) bits and performs the following operations in O(1) time: parent, child(i), label-child(alpha), degree, subtree-size, preorder, is-ancestor(x), insert-leaf (alpha), delete-leaf(alpha). The update times are amortized. The space is close to the information theoretic lower bound. The operations...... are performed in the course of traversing the tree. This improves the succinct dynamic $k$-ary cardinal trees representation of Arroyuelo [1] for small alphabet, by speeding up both the query time of O(loglog n), and the update time of O((log log n)^2/logloglog n) to O(1), solving an open problem in [1...

  13. Non-steady state mass action dynamics without rate constants: dynamics of coupled reactions using chemical potentials

    Science.gov (United States)

    Cannon, William R.; Baker, Scott E.

    2017-10-01

    Comprehensive and predictive simulation of coupled reaction networks has long been a goal of biology and other fields. Currently, metabolic network models that utilize enzyme mass action kinetics have predictive power but are limited in scope and application by the fact that the determination of enzyme rate constants is laborious and low throughput. We present a statistical thermodynamic formulation of the law of mass action for coupled reactions at both steady states and non-stationary states. The formulation uses chemical potentials instead of rate constants. When used to model deterministic systems, the method corresponds to a rescaling of the time dependent reactions in such a way that steady states can be reached on the same time scale but with significantly fewer computational steps. The relationships between reaction affinities, free energy changes and generalized detailed balance are central to the discussion. The significance for applications in systems biology are discussed as is the concept and assumption of maximum entropy production rate as a biological principle that links thermodynamics to natural selection.

  14. Unified equation for access to rate constants of first-order reactions in dynamic and on-column reaction chromatography.

    Science.gov (United States)

    Trapp, O

    2006-01-01

    A unified equation to evaluate elution profiles of reversible as well as irreversible (pseudo-) first-order reactions in dynamic chromatography and on-column reaction chromatography has been derived. Rate constants k1 and k(-1) and Gibbs activation energies are directly obtained from the chromatographic parameters (retention times tR(A) and tR(B) of the interconverting or reacting species A and B, the peak widths at half-height wA and wB, and the relative plateau height h(p)), the initial amounts A0 and B0 of the reacting species, and the equilibrium constant K(A/B). The calculation of rate constants requires only a few iterative steps without the need of performing a computationally extensive simulation of elution profiles. The unified equation was validated by comparison with a data set of 125,000 simulated elution profiles to confirm the quality of this equation by statistical means and to predict the minimal experimental requirements. Surprisingly, the recovery rate from a defined data set is on average 35% higher using the unified equation compared to the evaluation by iterative computer simulation.

  15. Dynamical mass generation in QED with magnetic fields: arbitrary field strength and coupling constant

    CERN Document Server

    Rojas, Eduardo; Bashir, Adnan; Raya, Alfredo

    2008-01-01

    We study the dynamical generation of masses for fundamental fermions in quenched quantum electrodynamics, in the presence of magnetic fields of arbitrary strength, by solving the Schwinger-Dyson equation (SDE) for the fermion self-energy in the rainbow approximation. We employ the Ritus eigenfunction formalism which provides a neat solution to the technical problem of summing over all Landau levels. It is well known that magnetic fields catalyze the generation of fermion mass m for arbitrarily small values of electromagnetic coupling \\alpha. For intense fields it is also well known that m \\propto \\sqrt eB. Our approach allows us to span all regimes of parameters \\alpha and eB. We find that m \\propto \\sqrt eB provided \\alpha is small. However, when \\alpha increases beyond the critical value \\alpha_c which marks the onslaught of dynamical fermion masses in vacuum, we find m \\propto \\Lambda, the cut-off required to regularize the ultraviolet divergences. Our method permits us to verify the results available in l...

  16. Is the prediction of pKa values by constant-pH molecular dynamics being hindered by inherited problems?

    Science.gov (United States)

    Machuqueiro, Miguel; Baptista, António M

    2011-12-01

    In this study, we investigate two factors that can hinder the performance of constant-pH molecular dynamics methods in predicting protein pK(a) values, using hen egg white lysozyme as a test system. The first factor is related to the molecular definition and pK(a) value of model compounds in the Poisson-Boltzmann framework. We address this by defining the model compound as a molecular fragment with an associated pK(a) value that is calibrated against experimental data, which results in a decrease of 0.12 units in pK(a) errors. The second addressed factor is the possibility that detrimental structural distortions are being introduced in the simulations by the underlying molecular mechanics force field. This issue is investigated by analyzing how the gradual structural rearrangements affect the predicted pK(a) values. The two GROMOS force fields studied here (43A1 and 53A6) yield good pK(a) predictions, although a time-dependent performance is observed: 43A1 performs better after a few nanoseconds of structural reorganization (pK(a) errors of ~0.45), while 53A6 gives the best prediction right at the first nanosecond (pK(a) errors of 0.42). These results suggest that the good performance of constant-pH molecular dynamics methods could be further improved if these force field limitations were overcome. Copyright © 2011 Wiley-Liss, Inc.

  17. Molecular dynamics and analytical Langevin equation approach for the self-diffusion constant of an anisotropic fluid.

    Science.gov (United States)

    Colmenares, Pedro J; López, Floralba; Olivares-Rivas, Wilmer

    2009-12-01

    We carried out a molecular-dynamics (MD) study of the self-diffusion tensor of a Lennard-Jones-type fluid, confined in a slit pore with attractive walls. We developed Bayesian equations, which modify the virtual layer sampling method proposed by Liu, Harder, and Berne (LHB) [P. Liu, E. Harder, and B. J. Berne, J. Phys. Chem. B 108, 6595 (2004)]. Additionally, we obtained an analytical solution for the corresponding nonhomogeneous Langevin equation. The expressions found for the mean-squared displacement in the layers contain naturally a modification due to the mean force in the transverse component in terms of the anisotropic diffusion constants and mean exit time. Instead of running a time consuming dual MD-Langevin simulation dynamics, as proposed by LHB, our expression was used to fit the MD data in the entire survival time interval not only for the parallel but also for the perpendicular direction. The only fitting parameter was the diffusion constant in each layer.

  18. Adhesion Detection Analysis by Modeling Rail Wheel Set Dynamics under the Assumption of Constant Creep Coefficient

    Directory of Open Access Journals (Sweden)

    Zulfiqar Ali Soomro

    2014-12-01

    Full Text Available Adhesion level control is very necessary to avoid slippage of rail wheelset and track from derailment for smoothing running of rail vehicle. In this paper the proper dynamics of wheelset for velocities acting in three dimensions of wheelset and rail track has been discussed along with creep forces on each wheel in longitudinal, lateral and spin directions has been enumerated and computed for suitable modeling. The concerned results have been simulated by Matlab code to observe the correlation of this phenomenon to compare creepage and creep forces for detecting adhesion level. This adhesion identification is recognized by applying coulomb’s law for sliding friction by comparing tangential and normal forces through co-efficient of friction

  19. Dynamics of C-phycocyanin in various deuterated trehalose/water environments measured by quasielastic and elastic neutron scattering.

    Science.gov (United States)

    Köper, Ingo; Combet, Sophie; Petry, Winfried; Bellissent-Funel, Marie-Claire

    2008-07-01

    The molecular understanding of protein stabilization by the disaccharide trehalose in extreme temperature or hydration conditions is still debated. In the present study, we investigated the role of trehalose on the dynamics of the protein C-phycocyanin (C-PC) by neutron scattering. To single out the motions of C-PC hydrogen (H) atoms in various trehalose/water environments, measurements were performed in deuterated trehalose and heavy water (D2O). We report that trehalose decreases the internal C-PC dynamics, as shown by a reduced diffusion coefficient of protein H atoms. By fitting the Elastic Incoherent Structure Factor--which gives access to the "geometry" of the internal proton motions--with the model of diffusion inside a sphere, we found that the presence of trehalose induces a significantly higher proportion of immobile C-PC hydrogens. We investigated, by elastic neutron scattering, the mean square displacements (MSDs) of deuterated trehalose/D2O-embedded C-PC as a function of temperature in the range of 40-318 K. Between 40 and approximately 225 K, harmonic MSDs of C-PC are slightly smaller in samples containing trehalose. Above a transition temperature of approximately 225 K, we observed anharmonic motions in all trehalose/water-coated C-PC samples. In the hydrated samples, MSDs are not significantly changed by addition of 15% trehalose but are slightly reduced by 30% trehalose. In opposition, no dynamical transition was detected in dry trehalose-embedded C-PC, whose hydrogen motions remain harmonic up to 318 K. These results suggest that a role of trehalose would be to stabilize proteins by inhibiting some fluctuations at the origin of protein unfolding and denaturation.

  20. Interaction of Gap Flow With Flapping Dynamics of Two Side-by-Side Elastic Foils

    Science.gov (United States)

    Gurugubelli, Pardha S.; Jaiman, Rajeev K.

    2016-11-01

    We present a numerical analysis on the interaction between two side-by-side elastic foils with their leading edges clamped and the gap flow between them. We perform systematic parametric direct numerical simulations as a function of nondimensional bending rigidity, KB ∈ [ 1 ×10-4 , 3 ×10-3 ] and mass-ratio, m* ∈ [ 0 . 05 , 0 . 2 ] , for a fixed gap, dp = 0 . 2 / L , at the leading edge and Reynolds number, Re = 1000 to explain the underlying physical mechanism behind the in-phase and out-of-phase coupled flapping modes. The parametric simulations show that the parallel foil system exhibits predominant out-of-phase coupling for low mass-ratio m* 0 . 1 . We also show that the two side-by-side elastic foils always exhibit out-of-phase coupling initially irrespective of whether the fully developed flapping show out-of-phase or in-phase coupled mode. Finally, we show that the transition from the initial out-of-phase to stable in-phase is characterized by loss of gap flow symmetric stability to undergo oscillations at the gap exit.

  1. Effects of gear modifications on the dynamic characteristics of wind turbine gearbox considering elastic support of the gearbox

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Shuaishuai; Zhu, Caichao; Song, Chaosheng; Liu, Huachao; Tan, Jianjun [Chongqing University, Chongqing (China); Bai, Houyi [Chongqing Wangjiang Industrial Co., Ltd., Chongqing (China)

    2017-03-15

    The reliability and service life of wind turbines are directly influenced by the dynamic performance of the gearbox under the time varying wind loads. The control of vibration behavior is essential for the achievement of a 20-year service life. We developed a rigid flexible coupled dynamic model for a wind turbine gearbox. The planet carrier, the housing, and the bed plate are modelled as flexibilities while other components are assumed as rigid bodies. The actual three points elastic supporting are considered and a strip based mesh model is used to represent the engagement of the gear pairs. The effects of gear tooth modifications on the dynamics were investigated. Finally, we conducted a dynamic test for the wind turbine gearbox in the wind field. Results showed that the contact characteristics of gear pairs were improved significantly; the peak-to-peak value of transmission error of each gear pair was reduced; the amplitudes of the vibration acceleration and the structural noise of the wind turbine gearbox were lowered after suitable tooth modification.

  2. Measurement of dynamical paths from elastic objects at the entrainment frequencies using high speed digital holographic interferometry

    Science.gov (United States)

    López, Carlos Pérez; Santoyo, Fernando Mendoza

    2012-06-01

    Digital holographic interferometry (DHI) is a powerful tool to study the mechanical evolution of vibrating objects. Data obtained from interferometric fringe patterns render results with high spatial resolution amplitudes of the order of few micrometers to sub micrometers. Modern cameras with high speed frame acquisition enable the measurement of several samples of the evolving amplitude within a complete mechanical oscillation period, allowing the study of the temporal mechanical evolution as well. An interesting phenomenon which may be observed and studied with DHI is that of frequency entrainment, a feature that appears in some elastic objects. If a periodic mechanical force of frequency ω is applied to a flat rectangular elastic membrane clamped at its edges, produces a resonant frequency ωR that has a limit cycle, but as the difference between the two frequencies decreases the object frequency falls in synchronicity with the forcing frequency within a certain band of frequencies. In this paper we describe the full field of view experiments to measure these dynamical paths that are forced to oscillate near the resonant frequency where the entrainment is reached. We also discuss the possibility of using these paths as a form of generating spatio-temporal patterns for mathematical biological models simulations, a key subject in the biomedical area.

  3. Membrane elastic properties and cell function.

    Directory of Open Access Journals (Sweden)

    Bruno Pontes

    Full Text Available Recent studies indicate that the cell membrane, interacting with its attached cytoskeleton, is an important regulator of cell function, exerting and responding to forces. We investigate this relationship by looking for connections between cell membrane elastic properties, especially surface tension and bending modulus, and cell function. Those properties are measured by pulling tethers from the cell membrane with optical tweezers. Their values are determined for all major cell types of the central nervous system, as well as for macrophage. Astrocytes and glioblastoma cells, which are considerably more dynamic than neurons, have substantially larger surface tensions. Resting microglia, which continually scan their environment through motility and protrusions, have the highest elastic constants, with values similar to those for resting macrophage. For both microglia and macrophage, we find a sharp softening of bending modulus between their resting and activated forms, which is very advantageous for their acquisition of phagocytic functions upon activation. We also determine the elastic constants of pure cell membrane, with no attached cytoskeleton. For all cell types, the presence of F-actin within tethers, contrary to conventional wisdom, is confirmed. Our findings suggest the existence of a close connection between membrane elastic constants and cell function.

  4. ELASTICITY OF MONOLAYER OF LINOLEIC ACID AND ITS POLYMER

    Institute of Scientific and Technical Information of China (English)

    1998-01-01

    The dynamic elasticity of linoleic acid monolayer on a subphase of 10-4mol/L TbCla at various surface pressure has been measured by means of dynamic oscillation method in measuring the change of surface pressure caused by periodic compressionexpansion cycles of the barrier. The elasticity of monolayer increases with increasing of surface pressure linegrly. The linoleic acid polymer monolayer has been obtained under UV-irradiation in situ when keeping a constant surface pressure. But the elasticity of the resulting polymerized monolayer is even smaller than that of its corresponding monomer monolayer. The elasticity of the polymerized linoleic acid monolayer decreases with increasing polymerization time. The explanation based on entropy has been presented.

  5. Influence of phase transformations on dynamical elastic modulus and anelasticity of beta Ti-Nb-Fe alloys for biomedical applications.

    Science.gov (United States)

    Chaves, J M; Florêncio, O; Silva, P S; Marques, P W B; Afonso, C R M

    2015-06-01

    Recent studies in materials for biomedical applications have focused on β-titanium alloys that are highly biocompatible, free of toxic elements and with an elastic modulus close to that of human bone (10-40 GPa). Beta Ti-xNb-3Fe (x=10, 15, 20 and 25 wt%) alloys were obtained by rapid solidification and characterized by anelastic relaxation measurements at temperatures between 140 K and 770 K, using a free-decay elastometer, as well as analysis by Differential Scanning Calorimetry (DSC), X-ray Diffraction (XRD) and Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The observed stabilization of the β-phase with rising Nb content was linked to the strength of the relaxation peak around 570 K. The phase transformations detected in the anelastic relaxation spectra agreed with those observed in the DSC curves. However, the results from anelastic relaxation spectra provide more detailed information about the kinetics of phase transformations. At temperatures between 140 K and 300 K, there was an indication of a reversible transformation in the alloys studied. The elastic modulus measurements showed a hardening of the material, between 400 K and 620 K, related to the ω-phase precipitation. However, the starting temperature of ω-phase precipitation was clearly influenced by the Nb content, showing a shift to high temperature with increasing percentage of Nb. At temperatures above 620 K, a fall was observed in the dynamical elastic modulus, accompanied by a relaxation peak centered at 660 K, which was attributed to the growing α-phase arising from the ω-phase, which acts as a nucleation sites or from the decomposition of the metastable β-phase. XRD patterns confirmed the formation of β, α and ω phases after mechanical relaxation measurements. A predominant β phase with dendritic morphology was observed, which became more stable with 25 wt% Nb. The lowest elastic modulus was of 65 GPa obtained in the Ti-25Nb-3Fe alloy, representing a

  6. Modeling the dynamics of an elastic rod with intrinsic curvature and twist using a regularized Stokes formulation

    Science.gov (United States)

    Olson, Sarah D.; Lim, Sookkyung; Cortez, Ricardo

    2013-04-01

    We develop a Lagrangian numerical algorithm for an elastic rod immersed in a viscous, incompressible fluid at zero Reynolds number. The elasticity of the rod is described by a version of the Kirchhoff rod model, where intrinsic curvature and twist are prescribed, and the fluid is governed by the Stokes equations in R3. The elastic rod is represented by a space curve corresponding to the centerline of the rod and an orthonormal triad, which encodes the bend and twist of the rod. In this method, the differences between the rod configuration and its intrinsic shape generate force and torque along the centerline. The coupling to the fluid is accomplished by the use of the method of regularized Stokeslets for the force and regularized rotlets for the torque. This technique smooths out the singularity in the fundamental solutions of the Stokes equations for the computation of the velocity of the rod centerline. In addition, the computation of the angular velocity of the rod requires the use of regularized (potential) dipoles. As a benchmark problem, we consider open and closed rods with intrinsic curvature and twist in a viscous fluid. Equilibrium configurations and dynamic instabilities are compared with known results in elastic rod theory. For cases when the exact solution is unknown, the numerical results are compared to those produced by the generalized immersed boundary (gIB) method, where the fluid is governed by the Navier-Stokes equations with small Reynolds number on a finite (periodic) domain. It is shown that the regularization method combined with Kirchhoff rod theory contributes substantially to the reduction of computation time and efficient memory usage in comparison to the gIB method. We also illustrate how the regularized method can be used to model microorganism motility where the organism is propelled by a flagellum propagating sinusoidal waves. The swimming speeds of this flagellum using the regularized Stokes formulation are matched well with

  7. Quasi-elastic neutron scattering study of dynamics in condensed matter

    Indian Academy of Sciences (India)

    S Mitra; R Mukhopadhyay

    2004-07-01

    Quasi-elastic neutron scattering (QENS) technique, known to study stochastic motions has been successfully used to elucidate the molecular motions and physical properties related to them, in a variety of systems. QENS is a unique technique that provides information on the time-scale of the motion as well as the geometry of the motions. In this paper, results of some of the systems studied using the facility available at Dhruva, Trombay and other mega-facilities are discussed. Emphasis is given on the results obtained from three different systems studied using QENS, namely, (1) alkyl chain motions in monolayer protected metal clusters, (2) molecular motions of propane in Na-Y zeolitic systems and (3) the study of reorientational motions of liquid crystal in O. series in different mesophases.

  8. The structural, electronic, elastic and dynamic properties of Co3W in the L12 phase

    Science.gov (United States)

    Arikan, Nihat

    2017-02-01

    A theoretical study is presented for the structural, electronic, elastic and phonon properties of Co3W compounds in L12 phase in the framework of density functional theory. The calculations are carried out within the PBE-GGA for the exchange correlation potential. The electronic structure and particle density of states (DOS) show that Co3W compound is metallic with sturdy hybridization near the Fermi level. The phonon dispersion curves, and the projected density of states been investigated for the first time with an ab initio method using density functional perturbation theory (DFPT). Temperature variations of specific heat capacity in the range of 0-2000 K are obtained using the quasi-harmonic model.

  9. Using Amazon's Elastic Compute Cloud to scale CMS' compute hardware dynamically.

    CERN Document Server

    Melo, Andrew Malone

    2011-01-01

    Large international scientific collaborations such as the Compact Muon Solenoid (CMS) experiment at the Large Hadron Collider have traditionally addressed their data reduction and analysis needs by building and maintaining dedicated computational infrastructure. Emerging cloud-computing services such as Amazon's Elastic Compute Cloud (EC2) offer short-term CPU and storage resources with costs based on usage. These services allow experiments to purchase computing resources as needed, without significant prior planning and without long term investments in facilities and their management. We have demonstrated that services such as EC2 can successfully be integrated into the production-computing model of CMS, and find that they work very well as worker nodes. The cost-structure and transient nature of EC2 services makes them inappropriate for some CMS production services and functions. We also found that the resources are not truely on-demand as limits and caps on usage are imposed. Our trial workflows allow us t...

  10. Variational integrators for the dynamics of thermo-elastic solids with finite speed thermal waves

    Energy Technology Data Exchange (ETDEWEB)

    Mata, Pablo [Department of Mechanical Engineering, Stanford University, Stanford, CA 94305-4040 (United States); Centro de Investigación en Ecosistemas de la Patagonia (CIEP), Conicyt Regional/CIEP R10C1003, Universidad Austral de Chile, Ignacio Serrrano 509, Coyhaique (Chile); Lew, Adrian J., E-mail: lewa@stanford.edu [Department of Mechanical Engineering, Stanford University, Stanford, CA 94305-4040 (United States)

    2014-01-15

    This paper formulates variational integrators for finite element discretizations of deformable bodies with heat conduction in the form of finite speed thermal waves. The cornerstone of the construction consists in taking advantage of the fact that the Green–Naghdi theory of type II for thermo-elastic solids has a Hamiltonian structure. Thus, standard techniques to construct variational integrators can be applied to finite element discretizations of the problem. The resulting discrete-in-time trajectories are then consistent with the laws of thermodynamics for these systems: for an isolated system, they exactly conserve the total entropy, and nearly exactly conserve the total energy over exponentially long periods of time. Moreover, linear and angular momenta are also exactly conserved whenever the exact system does. For definiteness, we construct an explicit second-order accurate algorithm for affine tetrahedral elements in two and three dimensions, and demonstrate its performance with numerical examples.

  11. ELASTIC NONLINEAR DYNAMICS OF MOTION OF SLIDE OF VERTICAL TURNING MACHINE FOR WORKING OF SOLID-ROLLED RAILWAY WHEELS

    Directory of Open Access Journals (Sweden)

    R. P. Pogrebnyak

    2017-08-01

    Full Text Available Purpose. The article is aimed to determine the conditions of a dynamic error formation of contour machine cutting of surface of the real railway wheel flange by the cup-tip tool and propose the ways of reducing the errors. Methodology. The problem was solved by the creation of dynamic nonlinear and elastic calculation model with further modeling of its loading by the external force factors. The values of forces were obtained by analytical and experimental methods. The calculation scheme of the equilibrium support is a nonlinear two-mass system, a dynamic model of slide - single-mass with one degree of freedom. The basis of the mathematical description of technological loads is the results of factory experiments, as well as analytical generalizations obtained as a result of the comparison of several schemes of the formation of the wheel flange. Analytical determination of the components of the cutting force takes into account the changes in the kinematic parameters of the cutting mode when the profiling is done using a shaped tool. Findings. During processing of the wheel flange the radial and axial components of the cutting forces that load slide and slide-block of machine are alternating. There are conditions in drive of slide and slide-block when the gaps appear, and it is possible at any profile geometry of the wheel. The peculiarities of loading of the slide and slide-block forming a flange (with biharmonic allowance cause the occurrence of the processing areas where the gaps increase many times in drives of mechanical transmissions and error of forms increases. The dynamic system of the drive is quite tough and high-frequency and it is sensitive to the presence of gaps. Originality. The author created elastic nonlinear dynamic models of support and slide. In accordance with the model it is written and solved equations of motion of the masses and loading of the connections. The conditions of the stable motion were found. Practical value. It

  12. [Value of dynamic arterial elastance in the predication of arterial pressure response to volume loading in shock patients].

    Science.gov (United States)

    Gong, Mao-lei; Liu, Da-wei; Wang, Xiao-ting; Chen, Xiu-kai

    2013-05-07

    To explore the value of dynamic arterial elastance (Eadyn) in the predication of arterial pressure response to volume loading in shock patients. A total of 32 patients with pulse indicator continuous cardiac output (PICCO) monitoring at our intensive care unit from January 2011 to December 2012 were retrospectively studied. The decision of fluid replacement was based upon the presence of shock (mean arterial pressure (MAP) ≤ 65 mm Hg, systolic arterial pressure arterial pressure response to volume loading. Significantly different between MAP responders and MAP nonresponders, baseline Eadyn was an effective predictor of MAP increase after volume loading. The area under the ROC curve was 0.95 for the prediction of volume loading on MAP for Eadyn at baseline (P 0.85 predicted a MAP increase after volume administration with a sensitivity of 89.5% and a specificity of 92.3%. Baseline Eadyn may predict accurately arterial pressure response in MAP to volume loading in shock patients.

  13. Calculations of hyperfine coupling constant of copper(II) in aqueous environment. Finite temperature molecular dynamics and relativistic effects.

    Science.gov (United States)

    Malček, Michal; Bučinský, Lukáš; Valko, Marián; Biskupič, Stanislav

    2015-09-01

    The presented paper is focused on the calculation of hyperfine coupling constants (HFCC) of Cu (2+) ion in water environment. To simulate the conditions of the electron paramagnetic resonance (EPR) experiment in aqueous phase, molecular dynamics using the density functional theory (DFT) was employed. In total three different functionals (BLYP, B3LYP, M06) were employed for studying their suitability in describing coordination of Cu (2+) by water molecules. The system of our interest was composed of one Cu (2+) cation surrounded by a selected number (between thirty and fifty) of water molecules. Besides the non-relativistic HFCCs (Fermi contact terms) of Cu (2+) also the four-component relativistic HFCC calculations are presented. The importance of the proper evaluation of HFCCs, the inclusion of spin-orbit term, for Cu (2+) containing systems (Neese, J. Chem. Phys. 118, 3939 2003; Almeida et al., Chem. Phys. 332, 176 2007) is confirmed at the relativistic four-component level of theory.

  14. Effects of constant and stepwise changes in temperature on the species abundance dynamics of four cladocera species

    Directory of Open Access Journals (Sweden)

    Verbitsky V. B.

    2011-09-01

    Full Text Available Laboratory experiments with natural zooplankton communities were carried out to study the effects of two contrasting temperature regimes: constant temperature (15, 20, and 25 °C and graded changes in temperature. The graded regime consisted of repeated sustained (three weeks controlled stepwise temperature changes of 5 or 10 °C within 15–25 °C on the population dynamics of four dominant species of lake littoral zooplankton, Daphnia longispina (Müller, 1785, Diaphanosoma brachyurum (Lievin, 1848, Simocephalus vetulus (Müller, 1776 and Chydorus sphaericus (Müller, 1785. The results show that controlled stepwise changes (positive or negative in temperature within the ranges of 15–20, 20–25, and 15–25 °C can exert either stimulating or inhibitory effect (direct or delayed on the development of D. longispina and S. vetulus populations. The development of D. brachyurum and Ch. sphaericus, both more steno-thermophile, was only stimulated by a stable elevated temperature (25 °C. These results support the previously formulated hypothesis that, in determining the ecological temperature optimum of a species within a natural community, it is not enough to define its optimum from constant, cyclic or random temperature fluctuations, but also from unidirectional stepwise changes in temperature. These stepwise changes may also induce prolonged or delayed effects.

  15. All-Atom Continuous Constant pH Molecular Dynamics With Particle Mesh Ewald and Titratable Water.

    Science.gov (United States)

    Huang, Yandong; Chen, Wei; Wallace, Jason A; Shen, Jana

    2016-11-08

    Development of a pH stat to properly control solution pH in biomolecular simulations has been a long-standing goal in the community. Toward this goal recent years have witnessed the emergence of the so-called constant pH molecular dynamics methods. However, the accuracy and generality of these methods have been hampered by the use of implicit-solvent models or truncation-based electrostatic schemes. Here we report the implementation of the particle mesh Ewald (PME) scheme into the all-atom continuous constant pH molecular dynamics (CpHMD) method, enabling CpHMD to be performed with a standard MD engine at a fractional added computational cost. We demonstrate the performance using pH replica-exchange CpHMD simulations with titratable water for a stringent test set of proteins, HP36, BBL, HEWL, and SNase. With the sampling time of 10 ns per replica, most pKa's are converged, yielding the average absolute and root-mean-square deviations of 0.61 and 0.77, respectively, from experiment. Linear regression of the calculated vs experimental pKa shifts gives a correlation coefficient of 0.79, a slope of 1, and an intercept near 0. Analysis reveals inadequate sampling of structure relaxation accompanying a protonation-state switch as a major source of the remaining errors, which are reduced as simulation prolongs. These data suggest PME-based CpHMD can be used as a general tool for pH-controlled simulations of macromolecular systems in various environments, enabling atomic insights into pH-dependent phenomena involving not only soluble proteins but also transmembrane proteins, nucleic acids, surfactants, and polysaccharides.

  16. Quasi-elastic neutron scattering study on water and polymer dynamics in thermo/pressure sensitive polymer solutions.

    Science.gov (United States)

    Osaka, Noboru; Shibayama, Mitsuhiro; Kikuchi, Tatsuya; Yamamuro, Osamu

    2009-10-01

    Dynamics of water and poly(N-isopropylacrylamide) (PNIPA) in concentrated aqueous solutions, where the majority of water molecules are attached to polymer chains, has been investigated with use of incoherent quasi-elastic neutron scattering (QENS) and dynamic light scattering (DLS) measurements as functions of temperature, T, and hydrostatic pressure, P. It was observed by QENS that the self-diffusion coefficient, D(water), of water in PNIPA/H(2)O solutions increased by P at temperatures below the lower critical solution temperature (LCST) of PNIPA aqueous solutions. However, above the LCST, D(water) decreased by P, as is often reported in non-hydrogen bonding solutions. In isobaric heating runs, therefore, the jump in D(water) at LCST decreased with increasing pressure. On the other hand, the mean-square displacement, , of the local vibrational motion of PNIPA in PNIPA/D(2)O solutions, where the incoherent scattering signal of PNIPA was predominantly observed, was reduced due to the aggregation behavior of PNIPA by pressurizing, which was also confirmed by using DLS. The jump in at the LCST became gradual by pressurizing, which was consistent with the changes of the dynamics of water obtained in PNIPA/H(2)O solutions.

  17. Theory of nonlinear elasticity, stress-induced relaxation, and dynamic yielding in dense fluids of hard nonspherical colloids.

    Science.gov (United States)

    Zhang, Rui; Schweizer, Kenneth S

    2012-04-21

    We generalize the microscopic naïve mode coupling and nonlinear Langevin equation theories of the coupled translation-rotation dynamics of dense suspensions of uniaxial colloids to treat the effect of applied stress on shear elasticity, cooperative cage escape, structural relaxation, and dynamic and static yielding. The key concept is a stress-dependent dynamic free energy surface that quantifies the center-of-mass force and torque on a moving colloid. The consequences of variable particle aspect ratio and volume fraction, and the role of plastic versus double glasses, are established in the context of dense, glass-forming suspensions of hard-core dicolloids. For low aspect ratios, the theory provides a microscopic basis for the recently observed phenomenon of double yielding as a consequence of stress-driven sequential unlocking of caging constraints via reduction of the distinct entropic barriers associated with the rotational and translational degrees of freedom. The existence, and breadth in volume fraction, of the double yielding phenomena is predicted to generally depend on both the degree of particle anisotropy and experimental probing frequency, and as a consequence typically occurs only over a window of (high) volume fractions where there is strong decoupling of rotational and translational activated relaxation. At high enough concentrations, a return to single yielding is predicted. For large aspect ratio dicolloids, rotation and translation are always strongly coupled in the activated barrier hopping event, and hence for all stresses only a single yielding process is predicted.

  18. Measurement of elastic modulus and Vickers hardness of surround bone implant using dynamic microindentation--parameters definition.

    Science.gov (United States)

    Soares, Priscilla Barbosa Ferreira; Nunes, Sarah Arantes; Franco, Sinésio Domingues; Pires, Raphael Rezende; Zanetta-Barbosa, Darceny; Soares, Carlos José

    2014-01-01

    The clinical performance of dental implants is strongly defined by biomechanical principles. The aim of this study was to quantify the Vicker's hardness (VHN) and elastic modulus (E) surround bone to dental implant in different regions, and to discuss the parameters of dynamic microindantion test. Ten cylindrical implants with morse taper interface (Titamax CM, Neodent; 3.5 mm diameter and 7 mm a height) were inserted in rabbit tibia. The mechanical properties were analyzed using microhardness dynamic indenter with 200 mN load and 15 s penetration time. Seven continuous indentations were made distancing 0.08 mm between each other perpendicularly to the implant-bone interface towards the external surface, at the limit of low (Lp) and high implant profile (Hp). Data were analyzed by Student's t-test (a=0.05) to compare the E and VHN values obtained on both regions. Mean and standard deviation of E (GPa) were: Lp. 16.6 ± 1.7, Hp. 17.0 ± 2.5 and VHN (N/mm2): Lp. 12.6 ± 40.8, Hp. 120.1 ± 43.7. No statistical difference was found between bone mechanical properties of high and low profile of the surround bone to implant, demonstrating that the bone characterization homogeneously is pertinent. Dynamic microindantion method proved to be highly useful in the characterization of the individual peri-implant bone tissue.

  19. Dynamic interaction of twin vertically overlapping lined tunnels in an elastic half space subjected to incident plane waves

    Science.gov (United States)

    Liu, Zhongxian; Wang, Yirui; Liang, Jianwen

    2016-06-01

    The scattering of plane harmonic P and SV waves by a pair of vertically overlapping lined tunnels buried in an elastic half space is solved using a semi-analytic indirect boundary integration equation method. Then the effect of the distance between the two tunnels, the stiffness and density of the lining material, and the incident frequency on the seismic response of the tunnels is investigated. Numerical results demonstrate that the dynamic interaction between the twin tunnels cannot be ignored and the lower tunnel has a significant shielding effect on the upper tunnel for high-frequency incident waves, resulting in great decrease of the dynamic hoop stress in the upper tunnel; for the low-frequency incident waves, in contrast, the lower tunnel can lead to amplification effect on the upper tunnel. It also reveals that the frequency-spectrum characteristics of dynamic stress of the lower tunnel are significantly different from those of the upper tunnel. In addition, for incident P waves in low-frequency region, the soft lining tunnels have significant amplification effect on the surface displacement amplitude, which is slightly larger than that of the corresponding single tunnel.

  20. Dynamics of chest wall volume regulation during constant work rate exercise in patients with chronic obstructive pulmonary disease

    Energy Technology Data Exchange (ETDEWEB)

    Takara, L.S.; Cunha, T.M.; Barbosa, P.; Rodrigues, M.K.; Oliveira, M.F.; Nery, L.E. [Setor de Função Pulmonar e Fisiologia Clínica do Exercício, Disciplina de Pneumologia, Departamento de Medicina, Universidade Federal de São Paulo, São Paulo, SP (Brazil); Neder, J.A. [Setor de Função Pulmonar e Fisiologia Clínica do Exercício, Disciplina de Pneumologia, Departamento de Medicina, Universidade Federal de São Paulo, São Paulo, SP (Brazil); Division of Respiratory and Critical Care Medicine, Department of Medicine, Queen' s University, Kingston, ON (Canada)

    2012-10-15

    This study evaluated the dynamic behavior of total and compartmental chest wall volumes [(V{sub CW}) = rib cage (V{sub RC}) + abdomen (V{sub AB})] as measured breath-by-breath by optoelectronic plethysmography during constant-load exercise in patients with stable chronic obstructive pulmonary disease. Thirty males (GOLD stages II-III) underwent a cardiopulmonary exercise test to the limit of tolerance (Tlim) at 75% of peak work rate on an electronically braked cycle ergometer. Exercise-induced dynamic hyperinflation was considered to be present when end-expiratory (EE) V{sub CW} increased in relation to resting values. There was a noticeable heterogeneity in the patterns of V{sub CW} regulation as EEV{sub CW} increased non-linearly in 17/30 “hyperinflators” and decreased in 13/30 “non-hyperinflators” (P < 0.05). EEV{sub AB} decreased slightly in 8 of the “hyperinflators”, thereby reducing and slowing the rate of increase in end-inspiratory (EI) V{sub CW} (P < 0.05). In contrast, decreases in EEV{sub CW} in the “non-hyperinflators” were due to the combination of stable EEV{sub RC} with marked reductions in EEV{sub AB}. These patients showed lower EIV{sub CW} and end-exercise dyspnea scores but longer Tlim than their counterparts (P < 0.05). Dyspnea increased and Tlim decreased non-linearly with a faster rate of increase in EIV{sub CW} regardless of the presence or absence of dynamic hyperinflation (P < 0.001). However, no significant between-group differences were observed in metabolic, pulmonary gas exchange and cardiovascular responses to exercise. Chest wall volumes are continuously regulated during exercise in order to postpone (or even avoid) their migration to higher operating volumes in patients with COPD, a dynamic process that is strongly dependent on the behavior of the abdominal compartment.