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Sample records for anisotropic elastic properties

  1. Anisotropic linear elastic properties of fractal-like composites.

    Science.gov (United States)

    Carpinteri, Alberto; Cornetti, Pietro; Pugno, Nicola; Sapora, Alberto

    2010-11-01

    In this work, the anisotropic linear elastic properties of two-phase composite materials, made up of square inclusions embedded in a matrix, are investigated. The inclusions present a fractal hierarchical distribution and are supposed to have the same Poisson's ratio as the matrix but a different Young's modulus. The effective elastic moduli of the medium are computed at each fractal iteration by coupling a position-space renormalization-group technique with a finite element analysis. The study allows to obtain and generalize some fundamental properties of fractal composite materials.

  2. Anisotropic linear elastic properties of fractal-like composites

    Science.gov (United States)

    Carpinteri, Alberto; Cornetti, Pietro; Pugno, Nicola; Sapora, Alberto

    2010-11-01

    In this work, the anisotropic linear elastic properties of two-phase composite materials, made up of square inclusions embedded in a matrix, are investigated. The inclusions present a fractal hierarchical distribution and are supposed to have the same Poisson’s ratio as the matrix but a different Young’s modulus. The effective elastic moduli of the medium are computed at each fractal iteration by coupling a position-space renormalization-group technique with a finite element analysis. The study allows to obtain and generalize some fundamental properties of fractal composite materials.

  3. Anisotropic Elastic Properties of Muscle-like Nematic Elastomers

    Science.gov (United States)

    Ratna, Banahalii; Thomseniii, Donald L.; Shenoy, Devanand; Srinivasan, Amritha; Keller, Patrick

    2001-03-01

    De Gennes suggested in 1997 that the liquid crystal elastomers are an excellent framework to mimic muscular action. We have prepared anisotropic freestanding films of nematic elastomers from laterally attached side-chain polymers that show muscle-like mechanical properties. The orientational order of the liquid crystal side groups imposes a conformational anisotropy in the polymer backbone. When the order parameter drops at the nematic-isotropic phase transition, there is a concomitant loss of order in the backbone which results in a contraction of the film in the direction of the director orientation. Dynamic mechanical data along directions parallel and perpendicular to the optic axis, show anisotropic stress-strain behavior. The film exhibits soft elasticity when strained in the perpendicular direction when the liquid crystal mesogens reorient without appreciable stress build up. Thermostrictive studies in the parallel direction show 40constriction at the nematic-isotropic phase transition. Isometric studies show that the elastic energy stored is purely entropic in origin and the elastomer acts like a spring with unusually large spring constant at the NI transition. The maximum stress measured is 300kPa. A strain rate of 5s-1 is estimated from shear relaxation studies.

  4. 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.

  5. Nanoindentation study of electrodeposited Ag thin coating: An inverse calculation of anisotropic elastic-plastic properties

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Guang; Sun, Xin; Wang, Yuxin; Tay, See Leng; Gao, Wei

    2017-01-01

    A new inverse method was proposed to calculate the anisotropic elastic-plastic properties (flow stress) of thin electrodeposited Ag coating utilizing nanoindentation tests, previously reported inverse method for isotropic materials and three-dimensional (3-D) finite element analyses (FEA). Indentation depth was ~4% of coating thickness (~10 μm) to avoid substrate effect and different indentation responses were observed in the longitudinal (L) and the transverse (T) directions. The estimated elastic-plastic properties were obtained in the newly developed inverse method by matching the predicted indentation responses in the L and T directions with experimental measurements considering indentation size effect (ISE). The results were validated with tensile flow curves measured from free-standing (FS) Ag film. The current method can be utilized to characterize the anisotropic elastic-plastic properties of coatings and to provide the constitutive properties for coating performance evaluations.

  6. Anisotropic elastic plates

    CERN Document Server

    Hwu, Chyanbin

    2010-01-01

    As structural elements, anisotropic elastic plates find wide applications in modern technology. The plates here are considered to be subjected to not only in plane load but also transverse load. In other words, both plane and plate bending problems as well as the stretching-bending coupling problems are all explained in this book. In addition to the introduction of the theory of anisotropic elasticity, several important subjects have are discussed in this book such as interfaces, cracks, holes, inclusions, contact problems, piezoelectric materials, thermoelastic problems and boundary element a

  7. Estimating of the Elastic Properties of the Composite with Anisotropic Ball Inclusions

    Directory of Open Access Journals (Sweden)

    V. S. Zarubin

    2014-01-01

    Full Text Available Scope composites as structural materials sensing mechanical stresses are largely determined by a complex of their elastic properties. Described in the article of review papers devoted to the elastic properties of the composite, it follows that the problem of theoretical evaluation of these characteristics, remains relevant. When considering composites reinforced with spherical inclusions, most famous works of the composite matrix and the inclusion is considered to be isotropic. However, for use as inclusions of metal particles and nanostructured elements often need to consider the anisotropy of the elastic characteristics.In the article for a composite with anisotropic spherical inclusions built two types of estimates of values of the bulk modulus and shear modulus . As background information used elastic properties of the matrix and the inclusions and their content by volume in the composite.The first type is classified as two-sided estimates of desired values that are based on the dual variational formulation of the linear elasticity problem of an inhomogeneous solid body containing alternative functionals (Lagrange and Castigliano. These functionals on the true distribution of strains and stresses in an inhomogeneous body reach the same meaning extremes (minimum and maximum respectively. On the convergence of the distribution of the Lagrange functional application allows you to get an upper bound of desired values, and the use of functional Castigliano - their lower bound.The second type of assessment is built by self-consistency, this method allows for the interaction of a single particle on or matrix composite with a homogeneous isotropic medium having measured the elastic moduli. Averaging over the volume of the composite disturbances arising strains and stresses in the inclusions and matrix particles makes it possible to obtain the calculated dependences for the bulk modulus and shear modulus of the composite. Comparison of these

  8. Characterization of anisotropic elastic properties of the arteries by exponential and polynomial strain energy functions.

    Science.gov (United States)

    Hudetz, A G; Monos, E

    1981-01-01

    Three-dimensional quasi-static mechanical measurements were carried out on cylindrical segments of the dog carotid and iliac arteries for determination of the passive anisotropic elastic properties of the vessel wall. On the basis of passive characteristics of outer diameter vs. intraluminal pressure, and axial extending force vs. intraluminal pressure, picked up at various fixed initial vascular length values, the incremental Young moduli and poisson ratios of the vessel wall were calculated in the 0--33 kPa (0--250 mm Hg) pressure range. The strain energy function of the arteries was approximated by polynomial and exponential models. We found that an exponential energy function with 4-parameters gives more accurate results than the 7- or 12-parameter polynomial functions. According to the results the axial modulus reaches higher values than the tangential and radial moduli at a low tangential stretch level, while at high tangential stretch the tangential modulus is the highest in both carotid and iliac arteries. After elevation of the initial tangential stretch the increase in the tangential modulus is the most pronounced, while the values of radial and axial moduli increased less. A change in the initial axial stretch influences the axial and radial moduli to a similar extent, but has no substantial effect on the value of the tangential modulus. The values of corresponding poisson ratios depend in a similar way on the initial deformation state. The different behaviour of the two Poisson ratios characterizing the mechanical coupling between tangential and axial directions, indicates that the structural coupling between the two main directions is asymmetrical. It is assumed that this property of the passive vascular structure can be explained by the network arrangement of collagen fibres in the vessel wall.

  9. Inverse estimation of the elastic and anelastic properties of the porous frame of anisotropic open-cell foams.

    Science.gov (United States)

    Cuenca, Jacques; Göransson, Peter

    2012-08-01

    This paper presents a method for simultaneously identifying both the elastic and anelastic properties of the porous frame of anisotropic open-cell foams. The approach is based on an inverse estimation procedure of the complex stiffness matrix of the frame by performing a model fit of a set of transfer functions of a sample of material subjected to compression excitation in vacuo. The material elastic properties are assumed to have orthotropic symmetry and the anelastic properties are described using a fractional-derivative model within the framework of an augmented Hooke's law. The inverse estimation problem is formulated as a numerical optimization procedure and solved using the globally convergent method of moving asymptotes. To show the feasibility of the approach a numerically generated target material is used here as a benchmark. It is shown that the method provides the full frequency-dependent orthotropic complex stiffness matrix within a reasonable degree of accuracy.

  10. DECAY OF ENERGY FOR A DISSIPATIVE ANISOTROPIC ELASTIC SYSTEM

    Institute of Scientific and Technical Information of China (English)

    Qin Yuming; Liu Xin; Deng Shuxian

    2011-01-01

    In this article, we study the large-time behavior of energy for a N-dimensional dissipative anisotropic elastic system. By means of multiplicative techniques, energy method, and Zuazua's estimate technique, we prove the decay property of energy for anisotropic elastic system.

  11. ElAM: A computer program for the analysis and representation of anisotropic elastic properties

    Science.gov (United States)

    Marmier, Arnaud; Lethbridge, Zoe A. D.; Walton, Richard I.; Smith, Christopher W.; Parker, Stephen C.; Evans, Kenneth E.

    2010-12-01

    The continuum theory of elasticity has been used for more than a century and has applications in many fields of science and engineering. It is very robust, well understood and mathematically elegant. In the isotropic case elastic properties are easily represented, but for non-isotropic materials, even in the simple cubic symmetry, it can be difficult to visualise how properties such as Young's modulus or Poisson's ratio vary with stress/strain orientation. The ElAM ( Elastic Anisotropy Measures) code carries out the required tensorial operations (inversion, rotation, diagonalisation) and creates 3D models of an elastic property's anisotropy. It can also produce 2D cuts in any given plane, compute averages following diverse schemes and query a database of elastic constants to support meta-analyses. Program summaryProgram title: ElAM1.0 Catalogue identifier: AEHB_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHB_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 43 848 No. of bytes in distributed program, including test data, etc.: 2 498 882 Distribution format: tar.gz Programming language: Fortran90 Computer: Any Operating system: Linux, Windows (XP, Vista) RAM: Depends chiefly on the size of the arrays representing elastic properties in 3D Classification: 7.7 Nature of problem: Representation of elastic moduli and ratios, and of wave velocities, in 3D; automatic discovery of unusual elastic properties. Solution method: Stiffness matrix (6×6) inversion and conversion to compliance tensor (3×3×3×3), tensor rotation, dynamic matrix diagonalisation, simple optimisation, postscript and VRML output preparation. Running time: Dependent on angular accuracy and size of elastic constant database (from a few seconds to a few hours). The tests provided take from a

  12. Seismic wave propagation in anisotropic ice – Part 1: Elasticity tensor and derived quantities from ice-core properties

    Directory of Open Access Journals (Sweden)

    A. Diez

    2014-08-01

    Full Text Available A preferred orientation of the anisotropic ice crystals influences the viscosity of the ice bulk and the dynamic behaviour of glaciers and ice sheets. Knowledge about the distribution of crystal anisotropy, to understand its contribution to ice dynamics, is mainly provided by crystal orientation fabric (COF data from ice cores. However, the developed anisotropic fabric does not only influence the flow behaviour of ice, but also the propagation of seismic waves. Two effects are important: (i sudden changes in COF lead to englacial reflections and (ii the anisotropic fabric induces an angle dependency on the seismic velocities and, thus, also recorded traveltimes. A framework is presented here to connect COF data with the elasticity tensor to determine seismic velocities and reflection coefficients for cone and girdle fabrics from ice-core data. We connect the microscopic anisotropy of the crystals with the macroscopic anisotropy of the ice mass, observable with seismic methods. Elasticity tensors for different fabrics are calculated and used to investigate the influence of the anisotropic ice fabric on seismic velocities and reflection coefficients, englacially as well as for the ice-bed contact. Our work, therefore, provides a contribution to remotely determine the state of bulk ice anisotropy.

  13. A general methodology for inverse estimation of the elastic and anelastic properties of anisotropic open-cell porous materials—with application to a melamine foam

    Energy Technology Data Exchange (ETDEWEB)

    Cuenca, Jacques, E-mail: jcuenca@kth.se; Van der Kelen, Christophe; Göransson, Peter [Marcus Wallenberg Laboratory for Sound and Vibration Research, Royal Institute of Technology (KTH), Teknikringen 8, SE-10044 Stockholm (Sweden)

    2014-02-28

    This paper proposes an inverse estimation method for the characterisation of the elastic and anelastic properties of the frame of anisotropic open-cell foams used for sound absorption. A model of viscoelasticity based on a fractional differential constitutive equation is used, leading to an augmented Hooke's law in the frequency domain, where the elastic and anelastic phenomena appear as distinctive terms in the stiffness matrix. The parameters of the model are nine orthotropic elastic moduli, three angles of orientation of the material principal directions and three parameters governing the anelastic frequency dependence. The inverse estimation consists in numerically fitting the model on a set of transfer functions extracted from a sample of material. The setup uses a seismic-mass measurement repeated in the three directions of space and is placed in a vacuum chamber in order to remove the air from the pores of the sample. The method allows to reconstruct the full frequency-dependent complex stiffness matrix of the frame of an anisotropic open-cell foam and in particular it provides the frequency of maximum energy dissipation by viscoelastic effects. The characterisation of a melamine foam sample is performed and the relation between the fractional-derivative model and other types of parameterisations of the augmented Hooke's law is discussed.

  14. Fluid-like elasticity induced by anisotropic effective mass density

    DEFF Research Database (Denmark)

    Ma, Guancong; Fu, Caixing; Wang, Guanghao

    We present a three-dimensional anisotropic elastic metamaterial, which can generate dipolar resonances. Repeating these subwavelength units can lead to one-dimensional arrays, which are essentially elastic rods that can withstand both longitudinal, and flexural vibrations. Band structure analysis...... scenarios such as civil engineering and seismic wave control....... shows the systems can have distinctive responses to waves with each polarization. In particular, we demonstrate that only longitudinal wave can propagate within a finite frequency regime, whereas transverse (flexural) waves meet a bandgap — a property conventionally found only in fluids. Effective...

  15. The structure of the linear anisotropic elastic symmetries

    Science.gov (United States)

    Cowin, S. C.; Mehrabadi, M. M.

    1992-10-01

    AN INSIGHTFUL, STRUCTURALLY appealing and potentially utilitarian formulation of the anisotropic form of the linear Hooke's law due to Lord Kelvin was independently rediscovered by R YCHLEWSKI (1984, Prikl. Mat. Mekh.48, 303) and M EHRABADI and C OWIN (1990, Q. J. Mech. appl. Math.43, 14). The eigenvectors of the three-dimensional fourth-rank anisotropic elasticity tensor, considered as a second-rank tensor in six-dimensional space, are called eigentensors when projected back into three-dimensional space. The maximum number of eigentensors for any elastic symmetry is therefore six. The concept of an eigentensor was introduced by K ELVIN (1856, Phil. Trans. R. Soc.166, 481) who called eigentensors "the principal types of stress or of strain". Kelvin determined the eigentensors for many elastic symmetries and gave a concise summary of his results in the 9th edition of the Encyclopaedia Britannica (1878). The eigentensors for a linear isotropic elastic material are familiar. They are the deviatoric second-rank tensor and a tensor proportional to the unit tensor, the spherical, hydrostatic or dilatational part of the tensor. M EHRABADI and C OWIN (1990, Q. J. Mech. appl. Math.43, 14) give explicit forms of the eigentensors for all of the linear elastic symmetries except monoclinic and triclinic symmetry. We discuss two approaches for the determination of eigentensors and illustrate these approaches by partially determining the eigentensors for monoclinic symmetry. With the nature of the eigentensors for monoclinic symmetry known, a rather complete table of the structural properties of all linear elastic symmetries can be constructed. The purpose of this communication is to give the most specifically detailed presentation of the eigenvalues and eigentensors of the Kelvin formulation to date.

  16. Effective material parameter retrieval of anisotropic elastic metamaterials with inherent nonlocality

    Science.gov (United States)

    Lee, Hyung Jin; Lee, Heung Son; Ma, Pyung Sik; Kim, Yoon Young

    2016-09-01

    In this paper, the scattering (S-) parameter retrieval method is presented specifically for anisotropic elastic metamaterials; so far, no retrieval has been accomplished when elastic metamaterials exhibit fully anisotropic behavior. Complex constitutive property and intrinsic scattering behavior of elastic metamaterials make their characterization far more complicated than that for acoustic and electromagnetic metamaterials. In particular, elastic metamaterials generally exhibit anisotropic scattering behavior due to higher scattering modes associated with shear deformation. They also exhibit nonlocal responses to some degrees, which originate from strong multiple scattering interactions even in the long wavelength limit. Accordingly, the conventional S-parameter retrieval methods cannot be directly used for elastic metamaterials, because they determine only the diagonal components in effective tensor property. Also, the conventional methods simply use the analytic inversion formulae for the material characterization so that inherent nonlocality cannot be taken into account. To establish a retrieval method applicable to anisotropic elastic metamaterials, we propose an alternative S-parameter method to deal with full anisotropy of elastic metamaterials. To retrieve the whole effective anisotropic parameter, we utilize not only normal but also oblique wave incidences. For the retrieval, we first retrieve the ratio of the effective stiffness tensor to effective density and then determine the effective density. The proposed retrieval method is validated by characterizing the effective material parameters of various types of non-resonant anisotropic metamaterials. It is found that the whole effective parameters are retrieved consistently regardless of used retrieval conditions in spite of inherent nonlocality.

  17. Surface waves in fibre-reinforced anisotropic elastic media

    Indian Academy of Sciences (India)

    P R Sengupta; Sisir Nath

    2001-08-01

    The aim of this paper is to investigate surface waves in anisotropic fibre-reinforced solid elastic media. First, the theory of general surface waves has been derived and applied to study the particular cases of surface waves – Rayleigh, Love and Stoneley types. The wave velocity equations are found to be in agreement with the corresponding classical result when the anisotropic elastic parameters tends to zero. It is important to note that the Rayleigh type of wave velocity in the fibre-reinforced elastic medium increases to a considerable amount in comparison with the Rayleigh wave velocity in isotropic materials.

  18. Elastic orthorhombic anisotropic parameter inversion: An analysis of parameterization

    KAUST Repository

    Oh, Ju Won

    2016-09-15

    The resolution of a multiparameter full-waveform inversion (FWI) is highly influenced by the parameterization used in the inversion algorithm, as well as the data quality and the sensitivity of the data to the elastic parameters because the scattering patterns of the partial derivative wavefields (PDWs) vary with parameterization. For this reason, it is important to identify an optimal parameterization for elastic orthorhombic FWI by analyzing the radiation patterns of the PDWs for many reasonable model parameterizations. We have promoted a parameterization that allows for the separation of the anisotropic properties in the radiation patterns. The central parameter of this parameterization is the horizontal P-wave velocity, with an isotropic scattering potential, influencing the data at all scales and directions. This parameterization decouples the influence of the scattering potential given by the P-wave velocity perturbation fromthe polar changes described by two dimensionless parameter perturbations and from the azimuthal variation given by three additional dimensionless parameters perturbations. In addition, the scattering potentials of the P-wave velocity perturbation are also decoupled from the elastic influences given by one S-wave velocity and two additional dimensionless parameter perturbations. The vertical S-wave velocity is chosen with the best resolution obtained from S-wave reflections and converted waves, little influence on P-waves in conventional surface seismic acquisition. The influence of the density on observed data can be absorbed by one anisotropic parameter that has a similar radiation pattern. The additional seven dimensionless parameters describe the polar and azimuth variations in the P- and S-waves that we may acquire, with some of the parameters having distinct influences on the recorded data on the earth\\'s surface. These characteristics of the new parameterization offer the potential for a multistage inversion from high symmetry

  19. Micromechanics and dislocation theory in anisotropic elasticity

    CERN Document Server

    Lazar, Markus

    2016-01-01

    In this work, dislocation master-equations valid for anisotropic materials are derived in terms of kernel functions using the framework of micromechanics. The second derivative of the anisotropic Green tensor is calculated in the sense of generalized functions and decomposed into a sum of a $1/R^3$-term plus a Dirac $\\delta$-term. The first term is the so-called "Barnett-term" and the latter is important for the definition of the Green tensor as fundamental solution of the Navier equation. In addition, all dislocation master-equations are specified for Somigliana dislocations with application to 3D crack modeling. Also the interior Eshelby tensor for a spherical inclusion in an anisotropic material is derived as line integral over the unit circle.

  20. Accurate estimation of the elastic properties of porous fibers

    Energy Technology Data Exchange (ETDEWEB)

    Thissell, W.R.; Zurek, A.K.; Addessio, F.

    1997-05-01

    A procedure is described to calculate polycrystalline anisotropic fiber elastic properties with cylindrical symmetry and porosity. It uses a preferred orientation model (Tome ellipsoidal self-consistent model) for the determination of anisotropic elastic properties for the case of highly oriented carbon fibers. The model predictions, corrected for porosity, are compared to back-calculated fiber elastic properties of an IM6/3501-6 unidirectional composite whose elastic properties have been determined via resonant ultrasound spectroscopy. The Halpin-Tsai equations used to back-calculated fiber elastic properties are found to be inappropriate for anisotropic composite constituents. Modifications are proposed to the Halpin-Tsai equations to expand their applicability to anisotropic reinforcement materials.

  1. Love wave dispersion in anisotropic visco-elastic medium

    Directory of Open Access Journals (Sweden)

    G. GIR SUBHASH

    1978-06-01

    Full Text Available The paper presents a study on Love wave propagation in a anisotropic
    visco-elastic layer overlying a rigid half space. The characteristic frequency
    equation is obtained and the variation of the wave number with frequency
    under the combined effect of visco-elasticity and anisotropy is analysed
    in detail. The results show that the effect of visco-elasticity on the
    wave is similar to that of anisotropy as long as the coefficient of anisotropy
    is less than unity.

  2. Conical Refraction of Elastic Waves by Anisotropic Metamaterials and Application for Parallel Translation of Elastic Waves.

    Science.gov (United States)

    Ahn, Young Kwan; Lee, Hyung Jin; Kim, Yoon Young

    2017-08-30

    Conical refraction, which is quite well-known in electromagnetic waves, has not been explored well in elastic waves due to the lack of proper natural elastic media. Here, we propose and design a unique anisotropic elastic metamaterial slab that realizes conical refraction for horizontally incident longitudinal or transverse waves; the single-mode wave is split into two oblique coupled longitudinal-shear waves. As an interesting application, we carried out an experiment of parallel translation of an incident elastic wave system through the anisotropic metamaterial slab. The parallel translation can be useful for ultrasonic non-destructive testing of a system hidden by obstacles. While the parallel translation resembles light refraction through a parallel plate without angle deviation between entry and exit beams, this wave behavior cannot be achieved without the engineered metamaterial because an elastic wave incident upon a dissimilar medium is always split at different refraction angles into two different modes, longitudinal and shear.

  3. Circumferential gap propagation in an anisotropic elastic bacterial sacculus

    CERN Document Server

    Taneja, Swadhin; Rutenberg, Andrew D

    2013-01-01

    We have modelled stress concentration around small gaps in anisotropic elastic sheets, corresponding to the peptidoglycan sacculus of bacterial cells, under loading corresponding to the effects of turgor pressure in rod-shaped bacteria. We find that under normal conditions the stress concentration is insufficient to mechanically rupture bacteria, even for gaps up to a micron in length. We then explored the effects of stress-dependent smart-autolysins, as hypothesised by Arthur L Koch [Advances in Microbial Physiology 24, 301 (1983); Research in Microbiology 141, 529 (1990)]. We show that the measured anisotropic elasticity of the PG sacculus can lead to stable circumferential propagation of small gaps in the sacculus. This is consistent with the recent observation of circumferential propagation of PG-associated MreB patches in rod-shaped bacteria. We also find a bistable regime of both circumferential and axial gap propagation, which agrees with behavior reported in cytoskeletal mutants of B. subtilis. We con...

  4. Elasticity tensor and ultrasonic velocities for anisotropic cubic polycrystal

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The orientation distribution of crystallites in a polycrystal can be described by the orientation distribution function(ODF) . The ODF can be expanded under the Wigner D-bases. The expanded coefficients in the ODF are called the texture coefficients. In this paper,we use the Clebsch-Gordan expression to derive an explicit expression of the elasticity tensor for an anisotropic cubic polycrystal. The elasticity tensor contains three material constants and nine texture coefficients. In order to measure the nine texture coefficients by ultrasonic wave,we give relations between the nine texture coefficients and ultrasonic propagation velocities. We also give a numerical example to check the relations.

  5. A micro-mechanical analysis of thermo-elastic properties and local residual stresses in ductile iron based on a new anisotropic model for the graphite nodules

    Science.gov (United States)

    Andriollo, Tito; Thorborg, Jesper; Tiedje, Niels; Hattel, Jesper

    2016-06-01

    In this paper, the thermo-elastic behavior of the graphite nodules contained in ductile iron is derived on the basis of recent transmission electron microscopy investigations of their real internal structure. The proposed model is initially validated by performing a finite element homogenization analysis to verify its consistency with the room-temperature elastic properties of ductile iron measured at the macro scale. Subsequently, it is used to investigate the formation of local residual stresses around the graphite particles by simulating the manufacturing process of a typical ferritic ductile iron grade, and the results are compared with preliminary measurements using synchrotron x-rays. Finally, the obtained accurate description of the stress & strain field at the micro scale is used to shed light on common failure modes reported for the nodules and on some peculiar properties observed in ductile iron at both micro and macro scale.

  6. Mechanics of finite cracks in dissimilar anisotropic elastic media considering interfacial elasticity

    Science.gov (United States)

    Juan, Pierre-Alexandre; Dingreville, Rémi

    2017-02-01

    Interfacial crack fields and singularities in bimaterial interfaces (i.e., grain boundaries or dissimilar materials interfaces) are considered through a general formulation for two-dimensional (2-D) anisotropic elasticity while accounting for the interfacial structure by means of an interfacial elasticity paradigm. The interfacial elasticity formulation introduces boundary conditions that are effectively equivalent to those for a weakly bounded interface. This formalism considers the 2-D crack-tip elastic fields using complex variable techniques. While the consideration of the interfacial elasticity does not affect the order of the singularity, it modifies the oscillatory effects associated with problems involving interface cracks. Constructive or destructive "interferences" are directly affected by the interface structure and its elastic response. This general formulation provides an insight on the physical significance and the obvious coupling between the interface structure and the associated mechanical fields in the vicinity of the crack tip.

  7. A numerical homogenization method for heterogeneous, anisotropic elastic media based on multiscale theory

    KAUST Repository

    Gao, Kai

    2015-06-05

    The development of reliable methods for upscaling fine-scale models of elastic media has long been an important topic for rock physics and applied seismology. Several effective medium theories have been developed to provide elastic parameters for materials such as finely layered media or randomly oriented or aligned fractures. In such cases, the analytic solutions for upscaled properties can be used for accurate prediction of wave propagation. However, such theories cannot be applied directly to homogenize elastic media with more complex, arbitrary spatial heterogeneity. Therefore, we have proposed a numerical homogenization algorithm based on multiscale finite-element methods for simulating elastic wave propagation in heterogeneous, anisotropic elastic media. Specifically, our method used multiscale basis functions obtained from a local linear elasticity problem with appropriately defined boundary conditions. Homogenized, effective medium parameters were then computed using these basis functions, and the approach applied a numerical discretization that was similar to the rotated staggered-grid finite-difference scheme. Comparisons of the results from our method and from conventional, analytical approaches for finely layered media showed that the homogenization reliably estimated elastic parameters for this simple geometry. Additional tests examined anisotropic models with arbitrary spatial heterogeneity in which the average size of the heterogeneities ranged from several centimeters to several meters, and the ratio between the dominant wavelength and the average size of the arbitrary heterogeneities ranged from 10 to 100. Comparisons to finite-difference simulations proved that the numerical homogenization was equally accurate for these complex cases.

  8. Surface and defect morphologies in anisotropic elastic and piezoelectric solids

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Huajian; Barnett, D.M. [Stanford Univ., CA (United States)

    1996-12-31

    The authors investigate issues related to the equilibrium and stability of surface and line defect morphologies in both piezoelectric and anisotropic elastic solids. Following their previous efforts which established that mechanical stresses in purely elastic solids can promote instability of an initially flat surface with respect to surface roughening, they show that the (initially flat) interface between two dissimilar piezoelectric solids can be unstable when subjected to coupled electromechanical loading. Quite recent cross-sectional observations of electrodeposited thin films by Japanese and British researchers provide experimental confirmation of these predictions. The authors also investigate the occurrence of equilibrium arrangements (zero Peach-Koehler force arrangements) of line defects (dislocations) in anisotropic elastic crystals in the absence of externally applied stresses. Contrary to prevailing opinion, equilibrium arrangements of dislocations under no externally applied stresses appear to be the rule rather than the exception. The existence of such {open_quotes}zero stress arrangements{close_quotes} is fundamental to developing micromechanical models of plastically deforming solids.

  9. Mesoscale elastic properties of marine sponge spicules.

    Science.gov (United States)

    Zhang, Yaqi; Reed, Bryan W; Chung, Frank R; Koski, Kristie J

    2016-01-01

    Marine sponge spicules are silicate fibers with an unusual combination of fracture toughness and optical light propagation properties due to their micro- and nano-scale hierarchical structure. We present optical measurements of the elastic properties of Tethya aurantia and Euplectella aspergillum marine sponge spicules using non-invasive Brillouin and Raman laser light scattering, thus probing the hierarchical structure on two very different scales. On the scale of single bonds, as probed by Raman scattering, the spicules resemble a combination of pure silica and mixed organic content. On the mesoscopic scale probed by Brillouin scattering, we show that while some properties (Young's moduli, shear moduli, one of the anisotropic Poisson ratios and refractive index) are nearly the same as those of artificial optical fiber, other properties (uniaxial moduli, bulk modulus and a distinctive anisotropic Poisson ratio) are significantly smaller. Thus this natural composite of largely isotropic materials yields anisotropic elastic properties on the mesoscale. We show that the spicules' optical waveguide properties lead to pronounced spontaneous Brillouin backscattering, a process related to the stimulated Brillouin backscattering process well known in artificial glass fibers. These measurements provide a clearer picture of the interplay of flexibility, strength, and material microstructure for future functional biomimicry.

  10. Eigen theory of elastic mechanics for anisotropic solids

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Eigen characters of the fundamental equations, equilibrium equation of stress and harmony equation of deformation, of the traditional elastic mechanics under geometrical space were testified by means of the concept of standardspace, and the modal equilihrium equation and the modal harmony equation under mechanical space were obtained. Basedon them and the modal Hooke' s law, a new system of the fundamental equation of elastic mechanics is given. The advan-tages of the theory given here are as following: the form of the fundamental equation is in common for both isotropy andanisotropy, both force method and displacement method, both force boundary and displacement boundary; the number ofstress functions is equal to that of the anisotropic subspaces, which avoids the man-made mistakes; the solution of stressfield or strain field is given in form of the modal superimposition, which makes calculation simplified greatly; no matterhow complicated the anisotropy of solids may be, the complete solutions can be obtained.

  11. Quantitative multi-waves migration in elastic anisotropic media; Migration quantitative multi-ondes en milieu elastique anisotrope

    Energy Technology Data Exchange (ETDEWEB)

    Borgne, H.

    2004-12-01

    Seismic imaging is an important tool for ail exploration. From the filtered seismic traces and a subsurface velocity model, migration allows to localize the reflectors and to estimate physical properties of these interfaces. The subsurface is split up into a reference medium, corresponding to the low spatial frequencies (a smooth medium), and a perturbation medium, corresponding to the high spatial frequencies. The propagation of elastic waves in the medium of reference is modelled by the ray theory. The association of this theory with a principle of diffraction or reflection allows to take into account the high spatial frequencies: the Kirchhoff approach represents so the medium of perturbations with continuous surfaces, characterized by reflection coefficients. The target of the quantitative migration is to reconstruct this reflection coefficient, notably its behaviour according to the incidence angle. These information will open the way to seismic characterization of the reservoir domain, with. a stratigraphic inversion for instance. In order to improve the qualitative and quantitative migration results, one of the current challenges is to take into account the anisotropy of the subsurface. Taking into account rocks anisotropy in the imaging process of seismic data requires two improvements from the isotropic case. The first one roughly concerns the modelling aspect: an anisotropic propagator should be used to avoid a mis-positioning or bad focusing of the imaged reflectors. The second correction concerns the migration aspect: as anisotropy affects the reflectivity of subsurface, a specific anisotropic imaging formula should be applied in the migration kernel, in order to recover the correct A V A behavior of the subsurface reflectors, If the first correction is DOW made in most so-called anisotropic imaging algorithms, the second one is currently ignored. The first part of my work concerns theoretical aspects. 1 study first the preservation of amplitudes in the

  12. A micro-mechanical analysis of thermo-elastic properties and local residual stresses in ductile iron based on a new anisotropic model for the graphite nodules

    DEFF Research Database (Denmark)

    Andriollo, Tito; Thorborg, Jesper; Tiedje, Niels Skat;

    2016-01-01

    In this paper, the thermo-elastic behavior of the graphite nodules contained in ductile iron is derived on the basis of recent transmission electron microscopy investigations of their real internal structure. The proposed model is initially validated by performing a finite element homogenization...

  13. A locking-free anisotropic nonconforming rectangular finite element approximation for the planar elasticity problem

    Institute of Scientific and Technical Information of China (English)

    SHI Dong-yang; WANG Cai-xia

    2008-01-01

    This paper deals with a new nonconforming anisotropic rectangular finite element approximation for the planar elasticity problem with pure displacement boundary condition. By use of the special properties of this element,and by introducing the complementary space and a series of novel techniques,the optimal error estimates of the energy norm and the L2-norm are obtained. The restrictions of regularity assumption and quasi-uniform assumption or the inverse assumption on the meshes required in the conventional finite element methods analysis are to be got rid of and the applicable scope of the nonconforming finite elements is extended.

  14. Elastic Properties of Sedimentary Rocks

    Science.gov (United States)

    Melendez Martinez, Jaime

    Sedimentary rocks are an important research topic since such rocks are associated to sources of ground water as well as oil, gas, and mineral reservoirs. In this work, elastic and physical properties of a variety of sedimentary samples that include glacial sediments, carbonates, shales, one evaporite, and one argillite from a variety of locations are investigated. Assuming vertical transverse isotropy, ultrasonic compressional- and shear-waves (at 1 MHz central frequency) were measured as a function of confining pressure on all samples with the exception of glacial samples which were tested assuming isotropy. Tensile strength tests (Brazilian test) were also carried out on selected glacial samples and, in addition, static-train measurements were conducted on shales and argillite samples. Lithological and textural features of samples were obtained through thin section techniques, scanning electron microscopy images and micro-tomography images. X-ray diffraction and X-Ray fluorescence provided the mineralogical oxides content information. Porosity, density, and pore structure were studied by using a mercury intrusion porosimeter and a helium pycnometer. The wide range of porosities of the studied samples (ranging from a minimum of 1% for shales to a maximum 45% for some glacial sediments) influence the measured velocities since high porosity sample shows an noticeable velocity increment as confining pressure increases as a consequence of closure of microcracks and pores, unlike low porosity samples where increment is quasi-lineal. Implementation of Gassmann's relation to ultrasonic velocities obtained from glacial samples has negligible impact on them when assuming water saturated samples, which suggests that state of saturation it is no so important in defining such velocities and instead they are mainly frame-controlled. On the other hand, velocities measured on carbonate and evaporite samples show that samples are at best weak anisotropic, thus the intrinsic

  15. Pressure Prediction of Electronic, Anisotropic Elastic, Optical, and Thermal Properties of Quaternary (M2/3Ti1/33AlC2 (M = Cr, Mo, and Ti

    Directory of Open Access Journals (Sweden)

    Liang Sun

    2016-01-01

    Full Text Available The electronic, mechanical, anisotropic elastic, optical, and thermal properties of quaternary (M2/3Ti1/33AlC2 (M = Cr, Mo, and Ti under different pressure are systematically investigated by first-principles calculations. The bonding characteristics of these compounds are the mixture of metallic and covalent bonds. With an increase of pressure, the heights of total density of states (TDOS for these compounds decrease at Fermi level. The highest volume compressibility among three compounds is Mo2TiAlC2 for its smallest relative volume decline. The relative bond lengths are decreasing when the pressure increases. The bulk and shear modulus of the one doped with Cr or Mo are larger than those of Ti3AlC2 with pressure increasing. With an increase of pressure, the anisotropy of these compounds also increases. Moreover, Mo2TiAlC2 has the biggest anisotropy among the three compounds. The results of optical functions indicate that the reflectivity of the three compounds is high in visible-ultraviolet region up to ~10.5 eV under ambient pressure and increasing constantly when under pressure. Mo2TiAlC2 has the highest loss function. The calculated sound velocity and Debye temperature show that they all increase with pressure. CV of the three compounds is also calculated.

  16. Analysis and simulation for tensile behavior of anisotropic open-cell elastic foams

    Institute of Scientific and Technical Information of China (English)

    卢子兴; 刘强; 陈鑫

    2014-01-01

    Based on the elongated Kelvin model, a simplified periodic structural cell is obtained to investigate the tensile behavior of anisotropic open-cell elastic foams due to Kelvin model’s periodicity and symmetry in the whole space. The half-strut element and elastic deflection theory are used to analyze the tensile response as done in the previous studies. This study produces theoretical expressions for the tensile stress-strain curve in the rise and transverse directions. In addition, the theoretical results are examined with finite element simulation using an existing formula. The results indicate that the theoretical analysis agrees with the finite element simulation when the strain is not too high, and the present model is better. At the same time, the anisotropy ratio has a significant effect on the mechanical properties of foams. As the anisotropy ratio increases, the tensile stress is improved in the rising direction but drops in the transverse direction under the same strain.

  17. Anisotropic nanomaterials preparation, properties, and applications

    CERN Document Server

    Li, Quan

    2015-01-01

    In this book anisotropic one-dimensional and two-dimensional nanoscale building blocks and their assembly into fascinating and qualitatively new functional structures embracing both hard and soft components are explained. Contributions from leading experts regarding important aspects like synthesis, assembly, properties and applications of the above materials are compiled into a reference book. The anisotropy, i.e. the direction-dependent physical properties, of materials is fascinating and elegant and has sparked the quest for anisotropic materials with useful properties. With such a curiosi

  18. Direct Imaging of Anisotropic Material Properties using Photorefractive Laser Ultrasound

    Energy Technology Data Exchange (ETDEWEB)

    Telschow, Kenneth Louis; Deason, Vance Albert; Schley, Robert Scott; Watson, Scott Marshall

    1999-07-01

    Anisotropic properties of materials can be determined by measuring the propagation of elastic waves in different directions. A laser imaging approach is presented that utilizes the adaptive property of photorefractive materials to produce a real-time measurement of the antisymmetric Lamb or flexural traveling wave mode displacement and phase. Continuous excitation is employed and the data is recorded and displayed in all directions simultaneously at video camera frame rates. Fourier transform of the data produces an image of the wave slowness in all planar directions. The results demonstrate imaging of microstructural isotropy and anisotropy and stress induced ansiotropy in plates.

  19. Direct Imaging of Anisotropic Material Properties using Photorefractive Laser Ultrasound

    Energy Technology Data Exchange (ETDEWEB)

    K.L. Telschow; R.S. Schley; S.M. Watson; V.A. Deason

    1999-06-01

    Anisotropic properties of materials can be determined by measuring the propagation of elastic waves in different directions. A laser imaging approach is presented that utilizes the adaptive property of photorefractive materials to produce a real-time measurement of the antisymmetric Lamb or flexural traveling wave mode displacement and phase. Continuous excitation is employed and the data is recorded and displayed in all directions simultaneously at video camera frame rates. Fourier transform of the data produces an image of the wave slowness in all planar directions. The results demonstrate imaging of microstructural isotropy and anisotropy and stress induced ansiotropy in plates.

  20. Theory of elastic wave propagation in anisotropic film on anisotropic substrate: TiN film on single-crystal Si.

    Science.gov (United States)

    Tewary, V K

    2002-09-01

    The delta-function representation of the elastodynamic Green's function is used to derive an expression for the elastic wave forms on the surface of an anisotropic thin film on an anisotropic substrate due to a point or a line source located at the surface of the film. The dispersion relation for surface acoustic waves (SAWs) is obtained from the poles of the Green's function. A computationally efficient algorithm is formulated to obtain the elastic constants and the density of the film from the SAW dispersion data. The theory is used to analyze measured SAW dispersion relations in a titanium nitride film on silicon. The analysis yields values of the elastic constants and the density of the film. Excellent agreement is obtained between the theoretical and experimental dispersion results. Calculated wave forms for the surface wave due to a pulsed line source on the surface of the film are reported.

  1. Existence of longitudinal waves in pre-stressed anisotropic elastic medium

    Indian Academy of Sciences (India)

    Neetu Garg

    2009-12-01

    In a pre-stressed anisotropic elastic medium, three types of quasi-waves propagate along an arbitrary direction. In general, none of the waves is truly longitudinal. The present study finds the specific directions in a pre-stressed anisotropic elastic medium along which longitudinal waves may propagate. This paper demonstrates how the propagation of longitudinal waves is affected by various pre-stresses present in the medium. The study establishes the explicit expressions defining the existence and propagation of longitudinal waves in pre-stressed anisotropic elastic medium. These expressions involve not only the direction and elastic stiffness of the medium, but also the prestresses present in the medium. Changes in conditions for the existence of longitudinal waves in orthotropic, monoclinic and triclinic anisotropies are discussed in detail. The most important part of the paper is a practical aspect suggested to calculate the specific directions for the existence of longitudinal waves in pre-stressed anisotropic elastic medium. In this approach, only those parameters are used that can be observed by the receiver in a geophysical experiment of wave propagation. The existence of longitudinal waves has been shown graphically using a numerical example for three types of anisotropic symmetries in elastic medium.

  2. THE COMPLETENESS AND A NEW DERIVATION OF THE STROH FORMALISM OF ANISOTROPIC LINEAR ELASTICITY

    Institute of Scientific and Technical Information of China (English)

    国风林; 郑泉水

    2003-01-01

    In this paper we present a new,simpler and unified derivation of the Stroh formalism of anisotropic linear elasticity,for both nondegenerate and degenerate cases.It is based on the potential representation and Jordan canonical representation theorems.The completeness of the Stroh formalism is proved in the derivation process itself.This new approach is also extended to piezoelastic problems.Besides,we show that the eigenvalues of the fundamental elastic matrix in planar anisotropic elasticity are always distinct,except for the case of isotropy.

  3. ASYMPTOTIC ELASTIC STRESS FIELD NEAR A BLUNT CRACK TIP IN AN ANISOTROPIC MATERIAL

    Institute of Scientific and Technical Information of China (English)

    HUANG; Zhen-yu(

    2001-01-01

    [1]Williams M L.Oh the stress distribution at the base of a stationary crack[J].ASME J App Mech,1957,24:109~114.[2]Creager M,Paris P C,Elastic field equations for blunt cracks with reference to stress corrosion crack-ing[J].Int J Fracture,1967,3:247~251[3]Kuang Z B.The stress field near the blunt crack tip and the fracture criterion[J].Engng Fracture Mech,1982,16:19~33.[4]Ting T C T.Anisotropic Elasticity and its applica-tion[M].London:Oxford University Press,1996.[5]Ting T C T ,Hwu C.Sextic formalism in anisotropic elasticity for almost non-semisimple matrix N[J].Int J S olids Structures,1988,24:65~76.[6]Yang X X,Shen S,Kuang Z B.The degenerate so-lution for piezothermoelastic materials[J].Eur J Mech A/Solid,1997,16:779~793[7]Hwu C,Yen W J.On the anisotropic elastic inclu-sions in plane elastostatics[J].ASME J A pp Mech,1993,60:626~632.[8]Lekhnitskii S G.Theory of elasticity of an anisotrop-ic elastic body[M].Moscow:Mir Publishers,1981.[9]Hoenig A.Near-tip behavior of a crack in a plane anisotropic elastic body[J].Engng Fracture Mech,1982,16:393~403.[10]匡震邦,马法尚。裂纹端部场[M].西安:西安交通大学出版社,2001

  4. Lattice thermal conductivity evaluated using elastic properties

    Science.gov (United States)

    Jia, Tiantian; Chen, Gang; Zhang, Yongsheng

    2017-04-01

    Lattice thermal conductivity is one of the most important thermoelectric parameters in determining the energy conversion efficiency of thermoelectric materials. However, the lattice thermal conductivity evaluation requires time-consuming first-principles (quasi)phonon calculations, which limits seeking high-performance thermoelectric materials through high-throughput computations. Here, we establish a methodology to determine the Debye temperature Θ , Grüneisen parameter γ , and lattice thermal conductivity κ using computationally feasible elastic properties (the bulk and shear moduli). For 39 compounds with three different prototypes (the cubic isotropic rocksalt and zinc blende, and the noncubic anisotropic wurtzite), the theoretically calculated Θ ,γ , and κ are in reasonable agreement with those determined using (quasi)harmonic phonon calculations or experimental measurements. Our results show that the methodology is an efficient tool to predict the anharmonicity and the lattice thermal conductivity.

  5. Evolution, Interaction, and Intrinsic Properties of Dislocations in Intermetallics: Anisotropic 3D Dislocation Dynamics Approach

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Qian [Iowa State Univ., Ames, IA (United States)

    2008-01-01

    The generation, motion, and interaction of dislocations play key roles during the plastic deformation process of crystalline solids. 3D Dislocation Dynamics has been employed as a mesoscale simulation algorithm to investigate the collective and cooperative behavior of dislocations. Most current research on 3D Dislocation Dynamics is based on the solutions available in the framework of classical isotropic elasticity. However, due to some degree of elastic anisotropy in almost all crystalline solids, it is very necessary to extend 3D Dislocation Dynamics into anisotropic elasticity. In this study, first, the details of efficient and accurate incorporation of the fully anisotropic elasticity into 3D discrete Dislocation Dynamics by numerically evaluating the derivatives of Green's functions are described. Then the intrinsic properties of perfect dislocations, including their stability, their core properties and disassociation characteristics, in newly discovered rare earth-based intermetallics and in conventional intermetallics are investigated, within the framework of fully anisotropic elasticity supplemented with the atomistic information obtained from the ab initio calculations. Moreover, the evolution and interaction of dislocations in these intermetallics as well as the role of solute segregation are presented by utilizing fully anisotropic 3D dislocation dynamics. The results from this work clearly indicate the role and the importance of elastic anisotropy on the evolution of dislocation microstructures, the overall ductility and the hardening behavior in these systems.

  6. Wave velocities in a pre-stressed anisotropic elastic medium

    Indian Academy of Sciences (India)

    M D Sharma; Neetu Garg

    2006-04-01

    Modified Christoffel equations are derived for three-dimensional wave propagation in a general anisotropic medium under initial stress.The three roots of a cubic equation define the phase velocities of three quasi-waves in the medium.Analytical expressions are used to calculate the directional derivatives of phase velocities.These derivatives are,further,used to calculate the group velocities and ray directions of the three quasi-waves in a pre-stressed anisotropic medium.Effect of initial stress on wave propagation is observed through the deviations in phase velocity,group velocity and ray direction for each of the quasi-waves.The variations of these deviations with the phase direction are plotted for a numerical model of general anisotropic medium with triclinic/ monoclinic/orthorhombic symmetry.

  7. High‐order rotated staggered finite difference modeling of 3D elastic wave propagation in general anisotropic media

    KAUST Repository

    Chu, Chunlei

    2009-01-01

    We analyze the dispersion properties and stability conditions of the high‐order convolutional finite difference operators and compare them with the conventional finite difference schemes. We observe that the convolutional finite difference method has better dispersion properties and becomes more efficient than the conventional finite difference method with the increasing order of accuracy. This makes the high‐order convolutional operator a good choice for anisotropic elastic wave simulations on rotated staggered grids since its enhanced dispersion properties can help to suppress the numerical dispersion error that is inherent in the rotated staggered grid structure and its efficiency can help us tackle 3D problems cost‐effectively.

  8. Anisotropic properties of tracheal smooth muscle tissue.

    Science.gov (United States)

    Sarma, P A; Pidaparti, R M; Meiss, R A

    2003-04-01

    The anisotropic (directional-dependent) properties of contracting tracheal smooth muscle tissue are estimated from a computational model based on the experimental data of length-dependent stiffness. The area changes are obtained at different muscle lengths from experiments in which stimulated muscle undergoes unrestricted shortening. Then, through an interative process, the anisotropic properties are estimated by matching the area changes obtained from the finite element analysis to those derived from the experiments. The results obtained indicate that the anisotropy ratio (longitudinal stiffness to transverse stiffness) is about 4 when the smooth muscle undergoes 70% strain shortening, indicating that the transverse stiffness reduces as the longitudinal stiffness increases. It was found through a sensitivity analysis from the simulation model that the longitudinal stiffness and the in-plane shear modulus are not very sensitive as compared to major Poisson's ratio to the area changes of the muscle tissue. Copyright 2003 Wiley Periodicals, Inc.

  9. Propagation of elastic waves in an anisotropic functionally graded hollow cylinder in vacuum.

    Science.gov (United States)

    Baron, Cécile

    2011-02-01

    As a non-destructive, non-invasive and non-ionizing evaluation technique for heterogeneous media, the ultrasonic method is of major interest in industrial applications but especially in biomedical fields. Among the unidirectionally heterogeneous media, the continuously varying media are a particular but widespread case in natural materials. The first studies on laterally varying media were carried out by geophysicists on the Ocean, the atmosphere or the Earth, but the teeth, the bone, the shells and the insects wings are also functionally graded media. Some of them can be modeled as planar structures but a lot of them are curved media and need to be modeled as cylinders instead of plates. The present paper investigates the influence of the tubular geometry of a waveguide on the propagation of elastic waves. In this paper, the studied structure is an anisotropic hollow cylinder with elastic properties (stiffness coefficients c(ij) and mass density ρ) functionally varying in the radial direction. An original method is proposed to find the eigenmodes of this waveguide without using a multilayered model for the cylinder. This method is based on the sextic Stroh's formalism and an analytical solution, the matricant, explicitly expressed under the Peano series expansion form. This approach has already been validated for the study of an anisotropic laterally-graded plate (Baron et al., 2007; Baron and Naili, 2010) [6,5]. The dispersion curves obtained for the radially-graded cylinder are compared to the dispersion curves of a corresponding laterally-graded plate to evaluate the influence of the curvature. Preliminary results are presented for a tube of bone in vacuum modelling the in vitro conditions of bone strength evaluation.

  10. Anisotropic Optical Properties of Layered Germanium Sulfide

    CERN Document Server

    Tan, Dezhi; Wang, Feijiu; Mohamed, Nur Baizura; Mouri, Shinichiro; Sandhaya, Koirala; Zhang, Wenjing; Miyauchi, Yuhei; Ohfuchi, Mari; Matsuda, Kazunari

    2016-01-01

    Two-dimensional (2D) layered materials, transition metal dichalcogenides and black phosphorus, have attracted much interest from the viewpoints of fundamental physics and device applications. The establishment of new functionalities in anisotropic layered 2D materials is a challenging but rewarding frontier, owing to their remarkable optical properties and prospects for new devices. Here, we report the anisotropic optical properties of layered 2D monochalcogenide of germanium sulfide (GeS). Three Raman scattering peaks corresponding to the B3g, A1g, and A2g modes with strong polarization dependence are demonstrated in the GeS flakes, which validates polarized Raman spectroscopy as an effective method for identifying the crystal orientation of anisotropic layered GeS. Photoluminescence (PL) is observed with a peak at around 1.66 eV that originates from the direct optical transition in GeS at room temperature. Moreover, determination of the polarization dependent characteristics of the PL and absorption reveals...

  11. Anisotropic properties of TaS2

    Institute of Scientific and Technical Information of China (English)

    Qiao Yan-Bin; Li Yan-Ling; Zhong Guo-Hua; Zeng Zhi; Qin Xiao-Ying

    2007-01-01

    The anisotropic properties of 1T- and 2H-TaS2 are investigated by the density functional theory within the framework of full-potential linearized augmented plane wave method. The band structures of 1T- and 2H-TaS2 exhibit anisotropic properties and the calculated electronic specific-heat coefficient γ of 2H-TaS2 accords well with the existing experimental value. The anisotropic frequency-dependent dielectric functions including the effect of the Drude term are analysed, where the εxx(ω) spectra corresponding to the electric field E perpendicular to the z axis show excellent agreement with the measured results except for the ε1xx(ω) of 1T-TaS2 below the energy level of 2.6 eV which is due to the lack of the enough CDW information for reference in our calculation. Furthermore, based on the values of optical effective mass ratio P of 1T and 2H phases it is found that the anisotropy in 2H-TaS2 is stronger than that in 1T-TaS2.

  12. ON THE ORIENTATION OF BUCKLING DIRECTION OF ANISOTROPIC ELASTIC PLATE UNDER UNIAXIAL COMPRESSION

    Institute of Scientific and Technical Information of China (English)

    Zhang Yitong

    2001-01-01

    The theory of small deformation superimposed on a large deformation of an elastic solid is used to investigate the buckling of anisotropic elastic plate under uniaxial compression. The buckling direction (the direction of buckling wave) is generally not aligned with the compression direction. The equation for determining the buckling direction is obtained. It is found that the out-of-plane buckling of anisotropic elastic plate is possible and both buckling conditions for flexural and extensional modes are presented. As a specific case of buckling of anisotropic elastic plate, the buckling of an orthotropic elastic plate subjected to a compression in a direction that forms an arbitrary angle with an elastic principal axis of the materials is analyzed. It is found that the buckling direction depends on the angle between the compression direction and the principal axis of the materials, the critical compressive force and plate-thickness parameters.In the case that the compression direction is aligned with the principal axis of the materials, the buckling direction will be aligned with the compression one irrespective of critical compressive force and plate-thickness.

  13. A Reformulation of Nonlinear Anisotropic Elasticity for Impact Physics

    Science.gov (United States)

    2014-02-01

    Polycrystals. International Journal of Plasticity 2003, 19, 1401–1444. 26. Clayton, J. D.; McDowell, D. L. Homogenized Finite Elastoplasticity and Damage ...Materials and Technology 2002, 124, 302– 313. 25. Clayton, J. D.; McDowell, D. L. A Multiscale Multiplicative Decomposition for Elastoplasticity of...29. Clayton, J. D. Continuum Multiscale Modeling of Finite Deformation Plasticity and Anisotropic Damage in Polycrystals. Theoretical and Applied

  14. TOPICAL REVIEW Textured silicon nitride: processing and anisotropic properties

    Directory of Open Access Journals (Sweden)

    Xinwen Zhu and Yoshio Sakka

    2008-01-01

    Full Text Available Textured silicon nitride (Si3N4 has been intensively studied over the past 15 years because of its use for achieving its superthermal and mechanical properties. In this review we present the fundamental aspects of the processing and anisotropic properties of textured Si3N4, with emphasis on the anisotropic and abnormal grain growth of β-Si3N4, texture structure and texture analysis, processing methods and anisotropic properties. On the basis of the texturing mechanisms, the processing methods described in this article have been classified into two types: hot-working (HW and templated grain growth (TGG. The HW method includes the hot-pressing, hot-forging and sinter-forging techniques, and the TGG method includes the cold-pressing, extrusion, tape-casting and strong magnetic field alignment techniques for β-Si3N4 seed crystals. Each processing technique is thoroughly discussed in terms of theoretical models and experimental data, including the texturing mechanisms and the factors affecting texture development. Also, methods of synthesizing the rodlike β-Si3N4 single crystals are presented. Various anisotropic properties of textured Si3 N4 and their origins are thoroughly described and discussed, such as hardness, elastic modulus, bending strength, fracture toughness, fracture energy, creep behavior, tribological and wear behavior, erosion behavior, contact damage behavior and thermal conductivity. Models are analyzed to determine the thermal anisotropy by considering the intrinsic thermal anisotropy, degree of orientation and various microstructure factors. Textured porous Si3N4 with a unique microstructure composed of oriented elongated β-Si3N4 and anisotropic pores is also described for the first time, with emphasis on its unique mechanical and thermal-mechanical properties. Moreover, as an important related material, textured α-Sialon is also reviewed, because the presence of elongated α-Sialon grains allows the production of textured

  15. A two-dimensional linear elasticity problem for anisotropic materials, solved with a parallelization code

    Directory of Open Access Journals (Sweden)

    Mihai-Victor PRICOP

    2010-09-01

    Full Text Available The present paper introduces a numerical approach of static linear elasticity equations for anisotropic materials. The domain and boundary conditions are simple, to enhance an easy implementation of the finite difference scheme. SOR and gradient are used to solve the resulting linear system. The simplicity of the geometry is also useful for MPI parallelization of the code.

  16. High temperature and pressure effects on the elastic properties of B2 intermetallics AgRE

    Science.gov (United States)

    Liu, Lili; Wu, Xiaozhi; Li, Weiguo; Wang, Rui; Liu, Qing

    2015-02-01

    The high temperature and pressure effects on the elastic properties of the AgRE (RE=Sc, Tm, Er, Dy, Tb) intermetallic compounds with B2 structure have been performed from first principle calculations. For the temperature range 0-1000 K, the second order elastic constants for all the AgRE intermetallic compounds follow a normal behavior: they decrease with increasing temperature. The pressure dependence of the second order elastic constants has been investigated on the basis of the third order elastic constants. Temperature and pressure dependent elastic anisotropic parameters A have been calculated based on the temperature and pressure dependent elastic constants.

  17. Effects of the Biot and the squirt-flow coupling interaction on anisotropic elastic waves

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Considering the velocity anisotropy of the solid/fluid relative motion and employment of the BISQ theory[1] based on the one-dimensional porous isotropic case, we establish a two-phase anisotropic elastic wave equation to simultaneously include the Biot and the squirt mechanisms in terms of both the basic principles of the fluid's mass conservation and the elastic-wave dynamical equations in the two-phase anisotropic rock. Numerical results, while the Biot-flow and the squirt-flow effects are simultaneously considered in the transversely isotropic (TI) poroelastic medium, show that the attenuation of the quasi P-wave and the quasi SV-wave strongly depend on the permeability anisotropy, and the attenuation behavior at low and high frequencies is contrary. Meanwhile, the attenuation and dispersion of the quasi P-wave are also affected seriously by the anisotropic solid/fluid coupling additional density.

  18. 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.

  19. Propagation of elastic waves in a fluid-loaded anisotropic functionally graded waveguide: application to ultrasound characterization.

    Science.gov (United States)

    Baron, Cécile; Naili, Salah

    2010-03-01

    Non-destructive evaluation of heterogeneous materials is of major interest not only in industrial but also in biomedical fields. In this work, the studied structure is a three-layered one: A laterally heterogeneous anisotropic solid layer is sandwiched between two acoustic fluids. An original method is proposed to solve the wave equation in such a structure without using a multilayered model for the plate. This method is based on an analytical solution, the matricant, explicitly expressed under the Peano series expansion form. This approach is validated for the study of a fluid-loaded anisotropic and homogeneous plane waveguide with two different fluids on each side. Then, original results are given on the propagation of elastic waves in an asymmetrically fluid-loaded waveguide with laterally varying properties. This configuration notably corresponds to the axial transmission technique to the ultrasound characterization of cortical bone in vivo.

  20. A LOCKING-FREE ANISOTROPIC NONCONFORMING FINITE ELEMENT FOR PLANAR LINEAR ELASTICITY PROBLEM

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The main aim of this article is to study the approximation of a locking-free anisotropic nonconforming finite element for the pure displacement boundary value problem of planar linear elasticity. The optimal error estimates are obtained by using some novel approaches and techniques. The method proposed in this article is robust in the sense that the convergence estimates in the energy and L2-norms are independentof the Lamé parameter λ.

  1. Analysis and simulation of high strain compression of anisotropic open-cell elastic foams

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    By elongating the regular Kelvin model in one direction and keeping unchanged in the other two directions,the anisotropic model was constructed.Then,the simplified periodic structural cell was obtained according to the periodicity and symmetry of the model in the whole space.Using the half-strut element and elastic deflection theory to analyze the mechanical behavior as were adopted in the previous studies,this paper obtained the theoretical expressions for the compressive stress and strain as well as the corresponding curves in the rise and transverse directions.In addition,the theoretical results were examined by the finite element simulation.Results indicated that the theoretical analysis was very close to the finite element simulation when the strain was not too high,which confirmed the validity of theoretical analysis.At the same time,the anisotropy was shown to have a significant effect on the mechanical properties of open-cell foams.As the anisotropy ratio increased,the compressive stress was improved in the rise direction but dropped in the transverse direction under the same strain.

  2. Cellulose-Templated Graphene Monoliths with Anisotropic Mechanical, Thermal, and Electrical Properties.

    Science.gov (United States)

    Zhang, Rujing; Chen, Qiao; Zhen, Zhen; Jiang, Xin; Zhong, Minlin; Zhu, Hongwei

    2015-09-02

    Assembling particular building blocks into composites with diverse targeted structures has attracted considerable interest for understanding its new properties and expanding the potential applications. Anisotropic organization is considered as a frequently used targeted architecture and possesses many peculiar properties because of its unusual shapes. Here, we show that anisotropic graphene monoliths (AGMs), three-dimensional architectures of well-aligned graphene sheets obtained by a dip-coating method using cellulose acetate fibers as templates show thermal-insulating, fire-retardant, and anisotropic properties. They exhibit a feature of higher mechanical strength and thermal/electrical conductivities in the axial direction than in the radial direction. Elastic polymer resins are then introduced into the pores of the AGMs to form conductive and flexible composites. The composites, as AGMs, retain the unique anisotropic properties, revealing opposite resistance change under compressions in different directions. The outstanding anisotropic properties of AGMs make them possible to be applied in the fields of thermal insulation, integrated circuits, and electromechanical devices.

  3. Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

    KAUST Repository

    Gao, Kai

    2015-04-14

    It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both boundaries and the interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale medium property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system.

  4. 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.

  5. Loss-less propagation, elastic and inelastic interaction of electromagnetic soliton in an anisotropic ferromagnetic nanowire

    Science.gov (United States)

    Senthil Kumar, V.; Kavitha, L.; Boopathy, C.; Gopi, D.

    2017-10-01

    Nonlinear interaction of electromagnetic solitons leads to a plethora of interesting physical phenomena in the diverse area of science that include magneto-optics based data storage industry. We investigate the nonlinear magnetization dynamics of a one-dimensional anisotropic ferromagnetic nanowire. The famous Landau-Lifshitz-Gilbert equation (LLG) describes the magnetization dynamics of the ferromagnetic nanowire and the Maxwell's equations govern the propagation dynamics of electromagnetic wave passing through the axis of the nanowire. We perform a uniform expansion of magnetization and magnetic field along the direction of propagation of electromagnetic wave in the framework of reductive perturbation method. The excitation of magnetization of the nanowire is restricted to the normal plane at the lowest order of perturbation and goes out of plane for higher orders. The dynamics of the ferromagnetic nanowire is governed by the modified Korteweg-de Vries (mKdV) equation and the perturbed modified Korteweg-de Vries (pmKdV) equation for the lower and higher values of damping respectively. We invoke the Hirota bilinearization procedure to mKdV and pmKdV equation to construct the multi-soliton solutions, and explicitly analyze the nature of collision phenomena of the co-propagating EM solitons for the above mentioned lower and higher values of Gilbert-damping due to the precessional motion of the ferromagnetic spin. The EM solitons appearing in the higher damping regime exhibit elastic collision thus yielding the fascinating state restoration property, whereas those of lower damping regime exhibit inelastic collision yielding the solitons of suppressed intensity profiles. The propagation of EM soliton in the nanoscale magnetic wire has potential technological applications in optimizing the magnetic storage devices and magneto-electronics.

  6. Estimates of the Elastic Characteristics of a Composite with Short Anisotropic Fibers

    Science.gov (United States)

    Zarubin, V. S.; Kuvyrkin, G. N.; Savelyeva, I. Y.

    2017-09-01

    A composite with chaotically oriented fibers with different elongations and different anisotropy of elastic characteristics is considered. A mathematical model of interaction of such fibers and matrix particles with an isotropic elastic medium whose elastic moduli have to be found as required characteristics of the composite is constructed. The relations derived by the self-consistency method determine the moduli of the composite as functions of the volume concentration, elongations, and elastic properties of each type of fibers, and also of the elastic characteristics of the isotropic matrix. A quantitative analysis of the mathematical model is carried out, and boundaries of the domains of determining parameters within which the effect of fiber elongation is considerable are found. The relations presented allow one to estimate the elastic characteristics of a composite reinforced with various types of short fibers (in particular, high-strength and high-modulus needle-shaped and thread-like crystals, and nanostructural elements).

  7. The non-singular Green tensor of Mindlin's anisotropic gradient elasticity with separable weak non-locality

    Energy Technology Data Exchange (ETDEWEB)

    Lazar, Markus, E-mail: lazar@fkp.tu-darmstadt.de [Heisenberg Research Group, Department of Physics, Darmstadt University of Technology, Hochschulstr. 6, D-64289 Darmstadt (Germany); Po, Giacomo, E-mail: gpo@ucla.edu [Department of Mechanical and Aerospace Engineering, University of California Los Angeles, Los Angeles, CA 90095 (United States)

    2015-07-31

    In this paper, we derive the Green tensor of anisotropic gradient elasticity with separable weak non-locality, a special version of Mindlin's form II anisotropic gradient elasticity theory with up to six independent length scale parameters. The framework models materials where anisotropy is twofold, namely the bulk material anisotropy and a weak non-local anisotropy relevant at the nano-scale. In contrast with classical anisotropic elasticity, it is found that both the Green tensor and its gradient are non-singular at the origin, and that they rapidly converge to their classical counterparts away from the origin. Therefore, the Green tensor of Mindlin's anisotropic gradient elasticity with separable weak non-locality can be used as a physically-based regularization of the classical Green tensor for materials with strong anisotropy. - Highlights: • Theory of Mindlin's anisotropic gradient elasticity with separable weak non-locality is presented. • The non-singular (3D) Green tensor is given. • The gradient of the non-singular Green tensor is calculated.

  8. Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

    CERN Document Server

    Gao, Kai; Gibson, Richard L; Chung, Eric T; Efendiev, Yalchin

    2014-01-01

    It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both boundaries and the interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale medium property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and di...

  9. Displacement field of doubly periodic array of dislocation dipoles in elastically anisotropic media

    Science.gov (United States)

    Soleymani Shishvan, Siamak; Moghaddam, Babak

    2016-01-01

    The displacement field for dislocation dipoles periodically arranged along both x- and y-directions is found to be conditionally convergent. That is, different displacement fields are obtained depending on the order of the summation to be adopted. From the two summations, one can be performed analytically; however, the other one has to be performed numerically. We first derive analytic expressions for the displacement field of periodic array of dipoles along one (either x or y) direction considering anisotropic elasticity; they are then applied for the numerical summation (practically truncated) along the other direction. The resulting displacement field needs to be corrected by subtracting the spurious displacement field, whose expressions are analytically derived. As a first application, we employ the displacement and corresponding stress fields in a 2D discrete dislocation plasticity (DDP) model of a fine-grained polycrystal under shear loading. To this end, anisotropic plane-strain DDP method is utilised to solve the underlying boundary value problem. Subsequently, predictions of size-dependent plastic behaviour in anisotropic polycrystals with grain sizes in the range ? are presented.

  10. Study of elastic wave propagation in two-phase anisotropic media by numerical modeling of pseudospectral method

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    When there exists anisotropy in underground media, elastic parameters of the observed coordinate possibly do not coincide with that of the natural coordinate. According to the theory that the density of potential energy, dissipating energy is independent of the coordinate, the relationship of elastic parameters between two coordinates is derived for two-phase anisotropic media. Then, pseudospectral method to solve wave equations of two-phase anisotropic media is derived. At last, we use this method to simulate wave propagation in two-phase anisotropic media, four types of waves are observed in the snapshots, i.e., fast P wave and slow P wave, fast S wave and slow S wave. Shear wave splitting, SV wave cusps and elastic wave reflection and transmission are also observed.

  11. Anisotropic elasticity of silicon and its application to the modelling of X-ray optics.

    Science.gov (United States)

    Zhang, Lin; Barrett, Raymond; Cloetens, Peter; Detlefs, Carsten; Sanchez Del Rio, Manuel

    2014-05-01

    The crystal lattice of single-crystal silicon gives rise to anisotropic elasticity. The stiffness and compliance coefficient matrix depend on crystal orientation and, consequently, Young's modulus, the shear modulus and Poisson's ratio as well. Computer codes (in Matlab and Python) have been developed to calculate these anisotropic elasticity parameters for a silicon crystal in any orientation. These codes facilitate the evaluation of these anisotropy effects in silicon for applications such as microelectronics, microelectromechanical systems and X-ray optics. For mechanically bent X-ray optics, it is shown that the silicon crystal orientation is an important factor which may significantly influence the optics design and manufacturing phase. Choosing the appropriate crystal orientation can both lead to improved performance whilst lowering mechanical bending stresses. The thermal deformation of the crystal depends on Poisson's ratio. For an isotropic constant Poisson's ratio, ν, the thermal deformation (RMS slope) is proportional to (1 + ν). For a cubic anisotropic material, the thermal deformation of the X-ray optics can be approximately simulated by using the average of ν12 and ν13 as an effective isotropic Poisson's ratio, where the direction 1 is normal to the optic surface, and the directions 2 and 3 are two normal orthogonal directions parallel to the optical surface. This average is independent of the direction in the optical surface (the crystal plane) for Si(100), Si(110) and Si(111). Using the effective isotropic Poisson's ratio for these orientations leads to an error in thermal deformation smaller than 5.5%.

  12. A second-order, perfectly matched layer formulation to model 3D transient wave propagation in anisotropic elastic media

    CERN Document Server

    Assi, Hisham

    2016-01-01

    Numerical simulation of wave propagation in an infinite medium is made possible by surrounding a finite region by a perfectly matched layer (PML). Using this approach a generalized three-dimensional (3D) formulation is proposed for time-domain modeling of elastic wave propagation in an unbounded lossless anisotropic medium. The formulation is based on a second-order approach that has the advantages of, physical relationship to the underlying equations, and amenability to be implemented in common numerical schemes. Specifically, our formulation uses three second-order equations of the displacement field and nine auxiliary equations, along with the three time histories of the displacement field. The properties of the PML, which are controlled by a complex two-parameter stretch function, are such that it acts as near perfect absorber. Using finite element method (FEM) 3D numerical results are presented for a highly anisotropic medium. An extension of the formulation to the particular case of a Kelvin-Vogit visco...

  13. Timoshenko beam element with anisotropic cross-sectional properties

    DEFF Research Database (Denmark)

    Stäblein, Alexander; Hansen, Morten Hartvig

    2016-01-01

    Beam models are used for the aeroelastic time and frequency domain analysis of wind turbines due to their computational efficiency. Many current aeroelastic tools for the analysis of wind turbines rely on Timoshenko beam elements with classical crosssectional properties (EA, EI, etc.). Those cross......-sectional properties do not reflect the various couplings arising from the anisotropic behaviour of the blade material. A twonoded, three-dimensional Timoshenko beam element was therefore extended to allow for anisotropic cross-sectional properties. For an uncoupled beam, the resulting shape functions are identical...

  14. Buckling Behavior of Long Anisotropic Plates Subjected to Elastically Restrained Thermal Expansion and Contraction

    Science.gov (United States)

    Nemeth, Michael P.

    2004-01-01

    An approach for synthesizing buckling results for thin balanced and unbalanced symmetric laminates that are subjected to uniform heating or cooling and elastically restrained against thermal expansion or contraction is presented. This approach uses a nondimensional analysis for infinitely long, flexural anisotropic plates that are subjected to combined mechanical loads. In addition, stiffness-weighted laminate thermal-expansion parameters and compliance coefficients are derived that are used to determine critical temperatures in terms of physically intuitive mechanical-buckling coefficients. Many results are presented for some common laminates that are intended to facilitate a structural designer s transition to the use of the generic buckling design curves. Several curves that illustrate the fundamental parameters used in the analysis are presented, for nine contemporary material systems, that provide physical insight into the buckling response in addition to providing useful design data. Examples are presented that demonstrate the use of the generic design curves.

  15. 3D elastic-orthorhombic anisotropic full-waveform inversion: Application to field OBC data

    KAUST Repository

    Oh, Ju-Won

    2016-09-06

    For the purpose of extracting higher resolution information from a 3D field data set, we apply a 3D elastic orthorhombic (ORT) anisotropic full waveform inversion (FWI) to hopefully better represent the physics of the Earth. We utilize what we consider as the optimal parameterization for surface acquired seismic data over a potentially orthorhombic media. This parameterization admits the possibility of incorporating a hierarchical implementation moving from higher anisotropy symmetry to lower ones. From the analysis of the radiation pattern of this new parameterization, we focus the inversion of the 3D data on the parameters that may have imprint on the data with minimal tradeoff, and as a result we invert for the horizontal P-wave velocity model, an ε1 model, its orthorhombic deviation, and the shear wave velocity. The inverted higher resolution models provide reasonable insights of the medium.

  16. Effect of initial stress on reflection at the free surface of anisotropic elastic medium

    Indian Academy of Sciences (India)

    M D Sharma

    2007-12-01

    The propagation of plane waves is considered in a general anisotropic elastic medium in the presence of initial stress. The Christoffel equations are solved into a polynomial of degree six. The roots of this polynomial represent the vertical slowness values for the six quasi-waves resulting from the presence of a discontinuity in the medium. Three of these six values are identified with the three quasi-waves traveling in the medium but away from its boundary. Reflection at the free plane surface is studied for partition of energy among the three reflected waves. For post-critical incidence, the reflected waves are inhomogeneous (evanescent) waves. Numerical examples are considered to exhibit the effects of initial stress on the phase direction, attenuation and reflection coefficients of the reflected waves. The phase velocities and energy shares of the reflected waves change significantly with initial stress as well as anisotropic symmetry. The presence of initial stress, however, has a negligible effect on the phase directions of reflected waves.

  17. An efficient Matlab script to calculate heterogeneous anisotropically elastic wave propagation in three dimensions

    Science.gov (United States)

    Boyd, O.S.

    2006-01-01

    We have created a second-order finite-difference solution to the anisotropic elastic wave equation in three dimensions and implemented the solution as an efficient Matlab script. This program allows the user to generate synthetic seismograms for three-dimensional anisotropic earth structure. The code was written for teleseismic wave propagation in the 1-0.1 Hz frequency range but is of general utility and can be used at all scales of space and time. This program was created to help distinguish among various types of lithospheric structure given the uneven distribution of sources and receivers commonly utilized in passive source seismology. Several successful implementations have resulted in a better appreciation for subduction zone structure, the fate of a transform fault with depth, lithospheric delamination, and the effects of wavefield focusing and defocusing on attenuation. Companion scripts are provided which help the user prepare input to the finite-difference solution. Boundary conditions including specification of the initial wavefield, absorption and two types of reflection are available. ?? 2005 Elsevier Ltd. All rights reserved.

  18. 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.

  19. Modeling anisotropic Maxwell-Jüttner distributions: derivation and properties

    Science.gov (United States)

    Livadiotis, George

    2016-12-01

    In this paper we develop a model for the anisotropic Maxwell-Jüttner distribution and examine its properties. First, we provide the characteristic conditions that the modeling of consistent and well-defined anisotropic Maxwell-Jüttner distributions needs to fulfill. Then, we examine several models, showing their possible advantages and/or failures in accordance to these conditions. We derive a consistent model, and examine its properties and its connection with thermodynamics. We show that the temperature equals the average of the directional temperature-like components, as it holds for the classical, anisotropic Maxwell distribution. We also derive the internal energy and Boltzmann-Gibbs entropy, where we show that both are maximized for zero anisotropy, that is, the isotropic Maxwell-Jüttner distribution.

  20. Buckling Behavior of Long Anisotropic Plates Subjected to Elastically Restrained Thermal Expansion

    Science.gov (United States)

    Nemeth, Michael P.

    2002-01-01

    An approach for synthesizing buckling results for, and behavior of, thin balanced and unbalanced symmetric laminates that are subjected to uniform heating or cooling and elastically restrained against thermal expansion or contraction is presented. This approach uses a nondimensional analysis for infinitely long, flexurally anisotropic plates that are subjected to combined mechanical loads and is based on useful nondimensional parameters. In addition, stiffness-weighted laminate thermal-expansion parameters and compliance coefficients are derived that are used to determine critical temperatures in terms of physically intuitive mechanical-buckling coefficients. The effects of membrane orthotropy and membrane anisotropy are included in the general formulation. Many results are presented for some common laminates that are intended to facilitate a structural designer's transition to the use of generic buckling design curves. Several curves that illustrate the fundamental parameters used in the analysis are presented, for nine contemporary material systems, that provide physical insight into the buckling response in addition to providing useful design data. Examples are presented that demonstrate the use of generic design curves. The analysis approach and generic results indicate the effects and characteristics of elastically restrained laminate thermal expansion or contraction, membrane orthotropy and anisotropy, and flexural orthotropy and anisotropy in a very general and unifying manner.

  1. Elastic properties of suspended black phosphorus nanosheets

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jia-Ying; Li, Yang; Zhen, Liang; Xu, Cheng-Yan, E-mail: cy-xu@hit.edu.cn [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); MOE Key Laboratory of Micro-systems and Micro-structures Manufacturing, Harbin Institute of Technology, Harbin 150080 (China); Zhan, Zhao-Yao [Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, Chongqing 400714 (China); Li, Tie [Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China)

    2016-01-04

    The mechanical properties of black phosphorus (BP) nanosheets suspended over circular holes were measured by an atomic force microscope nanoindentation method. The continuum mechanic model was introduced to calculate the elastic modulus and pretension of BP nanosheets with thicknesses ranging from 14.3 to 34 nm. Elastic modulus of BP nanosheets declines with thickness, and the maximum value is 276 ± 32.4 GPa. Besides, the effective strain of BP ranges from 8 to 17% with a breaking strength of 25 GPa. Our results show that BP nanosheets serve as a promising candidate for flexible electronic applications.

  2. Simulating propagation of decoupled elastic waves using low-rank approximate mixed-domain integral operators for anisotropic media

    KAUST Repository

    Cheng, Jiubing

    2016-03-15

    In elastic imaging, the extrapolated vector fields are decoupled into pure wave modes, such that the imaging condition produces interpretable images. Conventionally, mode decoupling in anisotropic media is costly because the operators involved are dependent on the velocity, and thus they are not stationary. We have developed an efficient pseudospectral approach to directly extrapolate the decoupled elastic waves using low-rank approximate mixed-domain integral operators on the basis of the elastic displacement wave equation. We have applied k-space adjustment to the pseudospectral solution to allow for a relatively large extrapolation time step. The low-rank approximation was, thus, applied to the spectral operators that simultaneously extrapolate and decompose the elastic wavefields. Synthetic examples on transversely isotropic and orthorhombic models showed that our approach has the potential to efficiently and accurately simulate the propagations of the decoupled quasi-P and quasi-S modes as well as the total wavefields for elastic wave modeling, imaging, and inversion.

  3. Tuning and switching the hypersonic phononic properties of elastic impedance contrast nanocomposites.

    Science.gov (United States)

    Sato, Akihiro; Pennec, Yan; Shingne, Nitin; Thurn-Albrecht, Thomas; Knoll, Wolfgang; Steinhart, Martin; Djafari-Rouhani, Bahram; Fytas, George

    2010-06-22

    Anodic aluminum oxide (AAO) containing arrays of aligned cylindrical nanopores infiltrated with polymers is a well-defined model system for the study of hypersound propagation in polymer nanocomposites. Hypersonic phononic properties of AAO/polymer nanocomposites such as phonon localization and anisotropic sound propagation can be tailored by adjusting elastic contrast and density contrast between the components. Changes in density and elastic properties of the component located in the nanopores induced by phase transitions allow reversible modification of the phononic band structure and mode switching. As example in case, the crystallization and melting of poly(vinylidene difluoride) inside AAO was investigated.

  4. Properties and evolution of anisotropic structures in collisionless plasmas

    CERN Document Server

    Karimov, A R; Stenflo, L

    2016-01-01

    A new class of exact electrostatic solutions of the Vlasov-Maxwell equations based on the Jeans's theorem is proposed for studying the evolution and properties of two-dimensional anisotropic plasmas that are far from thermodynamic equilibrium. In particular, the free expansion of a slab of electron-ion plasma into vacuum is investigated.

  5. Finite deformation analysis of continuum structures with time dependent anisotropic elastic plastic material behavior (LWBR/AWBA Development Program)

    Energy Technology Data Exchange (ETDEWEB)

    Hutula, D.N.

    1980-03-01

    A finite element procedure is presented for finite deformation analysis of continuum structures with time-dependent anisotropic elastic-plastic material behavior. An updated Lagrangian formulation is used to describe the kinematics of deformation. Anisotropic constitutive relations are referred, at each material point, to a set of three mutually orthogonal axes which rotate as a unit with an angular velocity equal to the spin at the point. The time-history of the solution is generated by using a linear incremental procedure with residual force correction, along with an automatic time step control algorithm which chooses time step sizes to control the accuracy and numerical stability of the solution.

  6. Elastic Scattering Properties of Ultracold Strontium Atoms

    Institute of Scientific and Technical Information of China (English)

    张计才; 朱遵略; 刘玉芳; 孙金锋

    2011-01-01

    We investigate the elastic scattering properties of strontium atoms at ultracold temperatures.The scattering parameters,such as s-wave scattering lengths,effective ranges and p-wave scattering lengths,are calculated for all stable isotope combinations of Sr atoms by the quantal method and semiclassical method,respectively.Good agreements are obtained.The scattering parameters are very sensitive to small changes of the reduced mass.Due to the repulsive interisotope and intraisotope s-wave scattering length and large elastic cross sections,84Sr-86Srmixture is a good candidate to realize Bose-Bose quantum degenerate atomic gases.%We investigate the elastic scattering properties of strontium atoms at ultracold temperatures. The scattering parameters, such as s-wave scattering lengths, effective ranges and p-wave scattering lengths, are calculated for all stable isotope combinations of Sr atoms by the quantal method and semiclassical method, respectively. Good agreements are obtained. The scattering parameters are very sensitive to small changes of the reduced mass. Due to the repulsive interisotope and intraisotope s-wave scattering length and large elastic cross sections, MSr-s(iSr mixture is a good candidate to realize Bose-Bose quantum degenerate atomic gases.

  7. 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.

  8. Anisotropic micro-sphere-based finite elasticity applied to blood vessel modelling

    Science.gov (United States)

    Alastrué, V.; Martínez, M. A.; Doblaré, M.; Menzel, A.

    2009-01-01

    A fully three-dimensional anisotropic elastic model for vascular tissue modelling is presented here. The underlying strain energy density function is assumed to additively decouple into volumetric and deviatoric contributions. A straightforward isotropic neo-Hooke-type law is used to model the deviatoric response of the ground substance, whereas a micro-structurally or rather micro-sphere-based approach will be employed to model the contribution and distribution of fibres within the biological tissue of interest. Anisotropy was introduced by means of the use of von Mises orientation distribution functions. Two different micro-mechanical approaches—a, say phenomenological, exponential ansatz, and a worm-like-chain-based formulation—are applied to the micro-fibres and illustratively compared. The passage from micro-structural contributions to the macroscopic response is obtained by a computational homogenisation scheme, namely numerical integration over the surface of the individual micro-spheres. The algorithmic treatment of this integration is discussed in detail for the anisotropic problem at hand, so that several cubatures of the micro-sphere are tested in order to optimise the accuracy at reasonable computational cost. Moreover, the introduced material parameters are identified from simple tension tests on human coronary arterial tissue for the two micro-mechanical models investigated. Both approaches are able to recapture the experimental data. Based on the identified sets of parameters, we first discuss a homogeneous deformation in simple shear to evaluate the models' response at the micro-structural level. Later on, an artery-like two-layered tube subjected to internal pressure is simulated by making use of a non-linear finite element setting. This enables to obtain the micro- and macroscopic responses in an inhomogeneous deformation problem, namely a blood vessel representative boundary value problem. The effect of residual stresses is additionally

  9. A Model of Anisotropic Property of Seepage and Stress for Jointed Rock Mass

    Directory of Open Access Journals (Sweden)

    Pei-tao Wang

    2013-01-01

    Full Text Available Joints often have important effects on seepage and elastic properties of jointed rock mass and therefore on the rock slope stability. In the present paper, a model for discrete jointed network is established using contact-free measurement technique and geometrical statistic method. A coupled mathematical model for characterizing anisotropic permeability tensor and stress tensor was presented and finally introduced to a finite element model. A case study of roadway stability at the Heishan Metal Mine in Hebei Province, China, was performed to investigate the influence of joints orientation on the anisotropic properties of seepage and elasticity of the surrounding rock mass around roadways in underground mining. In this work, the influence of the principal direction of the mechanical properties of the rock mass on associated stress field, seepage field, and damage zone of the surrounding rock mass was numerically studied. The numerical simulations indicate that flow velocity, water pressure, and stress field are greatly dependent on the principal direction of joint planes. It is found that the principal direction of joints is the most important factor controlling the failure mode of the surrounding rock mass around roadways.

  10. Prediction of Thermal and Elastic Properties of Honeycomb Sandwich Plate for Analysis of Thermal Deformation

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Seok Min; Lee, Jang Il; Byun, Jae Ki; Choi, Young Don [Korea Univ., Seoul (Korea, Republic of)

    2014-04-15

    Thermal problems that are directly related to the lifetime of an electronic device are becoming increasingly important owing to the miniaturization of electronic devices. To solve thermal problems, it is essential to study thermal stability through thermal diffusion and insulation. A honeycomb sandwich plate has anisotropic thermal conductivity. To analyze the thermal deformation and temperature distribution of a system that employs a honeycomb sandwich plate, the thermal and elastic properties need to be determined. In this study, the thermal and elastic properties of a honeycomb sandwich plate, such as thermal conductivity, coefficient of thermal expansion, elastic modulus, Poisson's ratio, and shear modulus, are predicted. The properties of a honeycomb sandwich plate vary according to the hexagon size, thickness, and material properties.

  11. Elastic Properties of Plasticine, Silly Putty, and Tennis Strings

    Science.gov (United States)

    Cross, Rod

    2012-01-01

    How would a physicist describe the elastic properties of an apple or a banana? Physics students and teachers are familiar with the elastic properties of metal springs, but are likely to be less familiar with the elastic properties of other common materials. The behavior of a metal spring is commonly examined in the laboratory by adding masses to…

  12. Optimal damping ratios of multi-axial perfectly matched layers for elastic-wave modeling in general anisotropic media

    CERN Document Server

    Gao, Kai

    2016-01-01

    The conventional Perfectly Matched Layer (PML) is unstable for certain kinds of anisotropic media. This instability is intrinsic and independent of PML formulation or implementation. The Multi-axial PML (MPML) removes such instability using a nonzero damping coefficient in the direction parallel with the interface between a PML and the investigated domain. The damping ratio of MPML is the ratio between the damping coefficients along the directions parallel with and perpendicular to the interface between a PML and the investigated domain. No quantitative approach is available for obtaining these damping ratios for general anisotropic media. We develop a quantitative approach to determining optimal damping ratios to not only stabilize PMLs, but also minimize the artificial reflections from MPMLs. Numerical tests based on finite-difference method show that our new method can effectively provide a set of optimal MPML damping ratios for elastic-wave propagation in 2D and 3D general anisotropic media.

  13. Anisotropic finite-size scaling of an elastic string at the depinning threshold in a random-periodic medium

    Directory of Open Access Journals (Sweden)

    Sebastián Bustingorry

    2010-02-01

    Full Text Available We numerically study the geometry of a driven elastic string at its sample-dependent depinning threshold in random-periodic media. We find that the anisotropic finite-size scaling of the average square width $overline{w^2}$ and of its associated probability distribution are both controlled by the ratio $k=M/L^{zeta_{dep}}$, where $zeta_{dep}$ is the random-manifold depinning roughness exponent, $L$ is the longitudinal size of the string and $M$ the transverse periodicity of the random medium. The rescaled average square width $overline{w^2}/L^{2zeta_{dep}}$ displays a non-trivial single minimum for a finite value of $k$. We show that the initial decrease for small $k$ reflects the crossover at $k sim 1$ from the random-periodic to the random-manifold roughness. The increase for very large $k$ implies that the increasingly rare critical configurations, accompanying the crossover to Gumbel critical-force statistics, display anomalous roughness properties: a transverse-periodicity scaling in spite that $overline{w^2} ll M$, and subleading corrections to the standard random-manifold longitudinal-size scaling. Our results are relevant tounderstanding the dimensional crossover from interface to particle depinning. Received: 20 October 2010, Accepted: 1 December 2010; Edited by:  A. Vindigni; Reviewed by: A. A. Fedorenko, CNRS-Lab. de Physique, ENS de Lyon, France; DOI: 10.4279/PIP.020008

  14. Elastic Properties and Stability of Physisorbed Graphene

    Directory of Open Access Journals (Sweden)

    Philippe Lambin

    2014-05-01

    Full Text Available Graphene is an ultimate membrane that mixes both flexibility and mechanical strength, together with many other remarkable properties. A good knowledge of the elastic properties of graphene is prerequisite to any practical application of it in nanoscopic devices. Although this two-dimensional material is only one atom thick, continuous-medium elasticity can be applied as long as the deformations vary slowly on the atomic scale and provided suitable parameters are used. The present paper aims to be a critical review on this topic that does not assume a specific pre-knowledge of graphene physics. The basis for the paper is the classical Kirchhoff-Love plate theory. It demands a few parameters that can be addressed from many points of view and fitted to independent experimental data. The parameters can also be estimated by electronic structure calculations. Although coming from diverse backgrounds, most of the available data provide a rather coherent picture that gives a good degree of confidence in the classical description of graphene elasticity. The theory can than be used to estimate, e.g., the buckling limit of graphene bound to a substrate. It can also predict the size above which a scrolled graphene sheet will never spontaneously unroll in free space.

  15. Shell Model for Elastic and Thermodynamic Properties of Gallium Nitride with Hexagonal Wurtzite Structure

    Institute of Scientific and Technical Information of China (English)

    CHENG Yan; TU Ya-Jing; ZENG Zhao-Yi; GOU Qing-Quan

    2008-01-01

    Shell model molecular dynamic simulation with interatomic pair potential is utilized to investigate the elastic and thermodynamic properties of gallium nitride with hexagonal wurtzite structure (w-GaN) at high pressure. The calculated elastic constants Cij at zero pressure and 300 K agree well with the experimental data and other calculated values. Meanwhile, the dependences of the relative volume V/Vo, elastic constants Cij, entropy S, enthalpy H, and heat capacities Cv and Cp on pressure are successfully obtained. From the elastic constants obtained, we also calculate the shear modulus G, bulk modulus B, Young's modulus E, Poisson's ratio v, Debye temperature ΘD, and shear anisotropic factor Ashear on pressures.

  16. Anisotropic Mechanical Properties of Plasma-Sprayed Thermal Barrier Coatings at High Temperature Determined by Ultrasonic Method

    Science.gov (United States)

    Wei, Qin; Zhu, Jianguo; Chen, Wei

    2016-02-01

    The mechanical properties of plasma-sprayed thermal barrier coatings (TBC) are of great scientific and technological significance for the design and fabrication of TBC systems. The ultrasonic method combined with a sing-around method for mechanical properties measurement of TBC is deduced and the elastic modulus can be determined in the spray, or longitudinal, direction, and the transverse direction. Tested specimens of plasma-sprayed TBC are detached from the substrate and treated with thermal exposure at 1400 °C. The elastic moduli along the longitudinal and transverse directions of the TBCs are measured by different types of ultrasonic waves combined with a sing-around method, while the Poisson's ratio is also obtained simultaneously. The experimental results indicate that the magnitude of longitudinal elastic modulus is larger than that of the transverse one, and thus the plasma-sprayed TBC has an anisotropic mechanical property. Moreover, the elastic moduli along both longitudinal and transverse directions change with high-temperature exposure time, which consists of a rapid increasing stage followed by a slow decreasing stage. In addition, the magnitude of Poisson's ratio increases slightly from 0.05 to 0.2 with the high-temperature exposure time. Generally, the microstructures in the plasma-sprayed coatings and their evolution in a high-temperature environment are the main causes of the varying anisotropic mechanical properties.

  17. Simulation of thermo-Elastics Properties of Thermal Barrier Coatings ...

    African Journals Online (AJOL)

    Simulation of thermo-Elastics Properties of Thermal Barrier Coatings. ... entailing improved lifetime of the coating, but with a higher thermal conductivity. ... elasticity and its evolution with the temperature as well as thermal expansion, aiming at ...

  18. Elastic properties of nonstoichiometric reacted PDMS networks

    DEFF Research Database (Denmark)

    Skov, Anne Ladegaard; Hansen, Kristoffer Karsten; Sommer-Larsen, Peter;

    2003-01-01

    The influence of stoichiometry on the elastic modulus of eight-functional end-linked poly(dimethylsiloxane) (PDMS) networks was investigated by extensional rheometry with extensions up to more than 100%, and the stress-strain relation was found to be almost linear-a characteristic property...... obtained for the Mooney-Rivlin constants. It was furthermore found that trapped entanglements dominate when there is an excess of cross-linker, ensuring that all long difunctional DMS chains are bound to the infinite network in both ends....

  19. First-principles study on the elastic properties of Cu2GeSe3

    Science.gov (United States)

    Shao, Hezhu; Tan, Xiaojian; Jiang, Jun; Jiang, Haochuan

    2016-01-01

    The elastic properties of Cu2GeSe3, including bulk modulus, shear modulus, Young's modulus, Possion's ratio, and their anisotropic properties, have been investigated by using first-principles calculations. The calculated lattice parameters are in good agreement with previous calculations and experimental measurements. The result of bulk modulus by fitting the Birch-Murnaghan 3rd-order equation of state is well consistent with that calculated from the elastic constants. The ductile nature of Cu2GeSe3 is characterized according to Pugh's rule. The Debye temperature calculated from fitting heat capacity data is consistent with that obtained from sound velocity. Additionally, the elastic anisotropy is depicted in detail by plotting the directional dependence of the bulk and Young's moduli.

  20. A staggered-grid high-order finite-difference modeling for elastic wave field in arbitrary tilt anisotropic media

    Institute of Scientific and Technical Information of China (English)

    PEI Zheng-lin; WANG Shang-xu

    2005-01-01

    The paper presents a staggered-grid any even-order accurate finite-difference scheme for two-dimensional (2D),three-component (3C), first-order stress-velocity elastic wave equation and its stability condition in the arbitrary tilt anisotropic media; and derives a perfectly matched absorbing layer (PML) boundary condition and its staggered-grid any even-order accurate difference scheme in the 2D arbitrary tilt anisotropic media. The results of numerical modeling indicate that the modeling precision is high, the calculation efficiency is satisfactory and the absorbing boundary condition is better. The wave-front shapes of elastic waves are complex in the anisotropic media, and the velocity of qP wave is not always faster than that of qS wave. The wave-front triplication of qS wave and its events in both reflected domain and propagated domain, which are not commonly hyperbola, is a common phenomenon. When the symmetry axis is tilted in the TI media, the phenomenon of S-wave splitting is clearly observed in the snaps of three components and synthetic seismograms, and the events of all kinds of waves are asymmetric.

  1. Measurement of Anisotropic Elastic Constitutive Properties at High Temperatures

    Science.gov (United States)

    2006-05-31

    1295 (1997) 6. Ing, R. K. and Fink, M., IEEE Trans. Ultrason. Ferroelectr. Freq. Control 45(4), 1032-1043 (1998). 7. Prada , C. and Fink, M., Wave...256. 7 Telschow, K.L., J.B. Walter, G.V. Garcia , D.C.Kunerth, “Process monitoring using Optical Ultrasonic Wave Detection. Review of Progress in

  2. The asymptotic homogenization elasticity tensor properties for composites with material discontinuities

    Science.gov (United States)

    Penta, Raimondo; Gerisch, Alf

    2017-01-01

    The classical asymptotic homogenization approach for linear elastic composites with discontinuous material properties is considered as a starting point. The sharp length scale separation between the fine periodic structure and the whole material formally leads to anisotropic elastic-type balance equations on the coarse scale, where the arising fourth rank operator is to be computed solving single periodic cell problems on the fine scale. After revisiting the derivation of the problem, which here explicitly points out how the discontinuity in the individual constituents' elastic coefficients translates into stress jump interface conditions for the cell problems, we prove that the gradient of the cell problem solution is minor symmetric and that its cell average is zero. This property holds for perfect interfaces only (i.e., when the elastic displacement is continuous across the composite's interface) and can be used to assess the accuracy of the computed numerical solutions. These facts are further exploited, together with the individual constituents' elastic coefficients and the specific form of the cell problems, to prove a theorem that characterizes the fourth rank operator appearing in the coarse-scale elastic-type balance equations as a composite material effective elasticity tensor. We both recover known facts, such as minor and major symmetries and positive definiteness, and establish new facts concerning the Voigt and Reuss bounds. The latter are shown for the first time without assuming any equivalence between coarse and fine-scale energies ( Hill's condition), which, in contrast to the case of representative volume elements, does not identically hold in the context of asymptotic homogenization. We conclude with instructive three-dimensional numerical simulations of a soft elastic matrix with an embedded cubic stiffer inclusion to show the profile of the physically relevant elastic moduli (Young's and shear moduli) and Poisson's ratio at increasing (up to

  3. The asymptotic homogenization elasticity tensor properties for composites with material discontinuities

    Science.gov (United States)

    Penta, Raimondo; Gerisch, Alf

    2016-08-01

    The classical asymptotic homogenization approach for linear elastic composites with discontinuous material properties is considered as a starting point. The sharp length scale separation between the fine periodic structure and the whole material formally leads to anisotropic elastic-type balance equations on the coarse scale, where the arising fourth rank operator is to be computed solving single periodic cell problems on the fine scale. After revisiting the derivation of the problem, which here explicitly points out how the discontinuity in the individual constituents' elastic coefficients translates into stress jump interface conditions for the cell problems, we prove that the gradient of the cell problem solution is minor symmetric and that its cell average is zero. This property holds for perfect interfaces only (i.e., when the elastic displacement is continuous across the composite's interface) and can be used to assess the accuracy of the computed numerical solutions. These facts are further exploited, together with the individual constituents' elastic coefficients and the specific form of the cell problems, to prove a theorem that characterizes the fourth rank operator appearing in the coarse-scale elastic-type balance equations as a composite material effective elasticity tensor. We both recover known facts, such as minor and major symmetries and positive definiteness, and establish new facts concerning the Voigt and Reuss bounds. The latter are shown for the first time without assuming any equivalence between coarse and fine-scale energies (Hill's condition), which, in contrast to the case of representative volume elements, does not identically hold in the context of asymptotic homogenization. We conclude with instructive three-dimensional numerical simulations of a soft elastic matrix with an embedded cubic stiffer inclusion to show the profile of the physically relevant elastic moduli (Young's and shear moduli) and Poisson's ratio at increasing (up to

  4. Anisotropic mechanical properties and Stone-Wales defects in graphene monolayer: A theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Fan, B.B. [School of Materials Science and Engineering, Zhengzhou University, Henan 450001 (China); Yang, X.B. [Department of Physics, South China University of Technology, Guangzhou 510640 (China); Zhang, R., E-mail: zhangray@zzu.edu.c [School of Materials Science and Engineering, Zhengzhou University, Henan 450001 (China); Zhengzhou Institute of Aeronautical Industry Management, Henan 450046 (China)

    2010-06-14

    We investigate the mechanical properties of graphene monolayer via the density functional theoretical (DFT) method. We find that the strain energies are anisotropic for the graphene under large strain. We attribute the anisotropic feature to the anisotropic sp{sup 2} hybridization in the hexagonal lattice. We further identify that the formation energies of Stone-Wales (SW) defects in the graphene monolayer are determined by the defect concentration and also the direction of applied tensile strain, correlating with the anisotropic feature.

  5. Anisotropic thermal property of magnetically oriented carbon nanotube polymer composites

    Science.gov (United States)

    Li, Bin; Dong, Shuai; Wang, Caiping; Wang, Xiaojie; Fang, Jun

    2016-04-01

    This paper proposes a method for preparing multi-walled carbon nanotubea/polydimethylsiloxane (MWCNTs/PDMS) composites with enhanced thermal properties by using a high magnetic field (up to 10T). The MWCNT are oriented magnetically inside a silicone by in-situ polymerization method. The anisotropic structure would be expected to produce directional thermal conductivity. This study will provide a new approach to the development of anisotropic thermal-conductive polymer composites. Systematic studies with the preparation of silicone/graphene composites corresponding to their thermal and mechanical properties are carried out under various conditions: intensity of magnetic field, time, temperature, fillings. The effect of MWCNT/graphene content and preparation procedures on thermal conductivity of composites is investigated. Dynamic mechanical analysis (DMA) is used to reveal the mechanical properties of the composites in terms of the filling contents and magnetic field strength. The scanning electron microscope (SEM) is used to observe the micro-structure of the MWCNT composites. The alignment of MWCNTs in PDMS matrix is also studied by Raman spectroscopy. The thermal conductivity measurements show that the magnetically aligned CNT-composites feature high anisotropy in thermal conductivity.

  6. Study of anisotropic equivalent elastic parameters of jointed rock mass%节理岩体各向异性等效弹性参数研究

    Institute of Scientific and Technical Information of China (English)

    狄圣杰; 徐卫亚; 单治钢

    2013-01-01

    Analytical formulas of anisotropic equivalent elastic parameters are established by using mechanical method of complex material. An example is made to show the feasibility and efficiency of the analytical formulas. Meanwhile, the coordinate transformation and jointed factor of regular jointed rock mass are considered. The rules of equivalent elastic parameters of regular jointed rock mass are studied. Variation rules of equivalent elastic parameters under different jointed factors are analyzed. Combining with the properties of columnar jointed rock mass in Baihetan dam site, the anisotropic characteristics and values of elastic parameters are analyzed. The results show that the jointed rock mass can degenerate into isotropic medium when the stiffness is equal; and the calculated values by using the method in the paper are well in accord with the test results in the dam site. The cylinder deflection has more effect on the equivalent elastic parameters. The results also show that after deflection, the horizontal elastic modulus and vertical modulus are reduced by 54% and 17% respectively. According to the curves, the higher the angle of cylinder, the greater reduction the elastic modulus would have. This change rule of equivalent elastic parameters revealed obvious anisotropic property of columnar jointed rock mass.%采用复合材料力学分析方法,针对规则节理岩体考虑坐标转换及刚度系数,建立各向异性等效弹性参数的解析公式.通过算例证明了解析公式的可行性,同时对规则节理岩体等效参数规律性进行了研究,分析在不同的节理刚度比值下等效弹性参数的变化规律.结合白鹤滩坝址区柱状节理岩体特征,探讨了其等效弹性参数取值和各向异性特征.研究表明:所采用方法在刚度取值相等时岩体可退化为各向同性介质,且该方法计算结果与实测结果较为吻合;同时发现柱体偏转对等效弹性参数的影响较大,偏转后水平向和

  7. Elastic and mechanical properties of Mg3Rh intermetallic compound: An ab initio study

    Directory of Open Access Journals (Sweden)

    S. Boucetta

    2016-06-01

    Full Text Available In this work, density functional theory plane-wave pseudo potential method, with local density approximation (LDA and generalized gradient approximation (GGA are used to investigate the structural, elastic, mechanical and thermodynamic properties of the intermetallic compound Mg3Rh. Comparison of the calculated equilibrium lattice constants and experimental data shows very good agreement. The elastic constants were determined from a linear fit of the calculated stress-strain function according to Hooke's law. From the elastic constants, the bulk modulus B, shear modulus G, Young's modulus E, Poisson's ratio σ, anisotropy factor A, the ratio B/G and the hardness parameter H for Mg3Rh compound are obtained. Our calculated elastic constants indicate that the ground state structure of Mg3Rh is mechanically stable. The calculation results show that this intermetallic crystal is stiff, elastically anisotropic and ductile material. The sound velocities and Debye temperature are also predicted from elastic constants. This is the first quantitative theoretical prediction of these properties.

  8. Elasticity and hydrodynamic properties of ``doped solvent dilute'' lamellar phases

    Science.gov (United States)

    Nallet, Frédéric; Roux, Didier; Quilliet, Catherine; Fabre, Pascale; Milner, Scott T.

    1994-09-01

    The equilibrium fluctuations and weakly out-of-equilibrium relaxation properties of “doped solvent" dilute lamellar phases are investigated, both theoretically and experimentally, in the low-frequency, long-wavelength limit. The physical system of interest is a three-component smectic A lyotropic liquid crystal where surfactant bilayers infinite in extent are periodically stacked along one direction in space and separated by a colloidal solution. Two experimentally relevant modes are found in the lowest frequency part of the fluctuation spectrum of such multicomponent systems. Both are associated to the relaxation of coupled layer displacement and colloid concentration waves. In the limit of small coupling, one mode is close to the well-known undulation/baroclinic mode of two-component lamellar phases, while the other corresponds to the Brownian diffusive motion of the colloid in an anisotropic medium. Elastic constants of the smectic liquid crystal and diffusion parameters of the colloidal solution may be deduced from a measurement of the anisotropic dispersion relation of these two modes, as illustrated by dynamic light scattering experiments on the ferrosmectic system. Les fluctuations à l'équilibre ainsi que la relaxation des états légèrement en dehors de l'équilibre des phases lamellaires à “solvant dopé” sont étudiées, aussi bien d'un point de vue théorique qu'expérimental, dans la limite de basses fréquences et de grandes longueurs d'onde. Les systèmes décrits sont des cristaux-liquides smectiques A lyotropes formés de trois constituants : un tensioactif en solution dans une suspension colloïdale forme des bicouches de grande extension latérale qui s'empilent de façon périodique le long d'une direction dans l'espace. Avec de tels systèmes anisotropes et à plusieurs constituants deux modes présents dans la partie à basse fréquence du spectre des fluctuations (associés à la relaxation d'ondes, couplées, de concentration collo

  9. Electronic, elastic, and optical properties of monolayer BC2N

    Science.gov (United States)

    Jiao, Lina; Hu, Meng; Peng, Yusi; Luo, Yanting; Li, Chunmei; Chen, Zhiqian

    2016-12-01

    The structural stability, electronic structure, elasticity, and optical properties of four types of monolayer BC2N have been investigated from first principles using calculation based on density functional theory. The results show that the structural stability of BC2N increases with the number of C-C and B-N bonds. By calculating the two-dimensional Young's modulus, shear modulus, Poisson's ratio, and shear anisotropic factors in different directions, four structures present various anisotropies and the most stable structure is almost isotropic. For C-type BC2N, the values of two-dimensional Young's modulus, shear modulus, and bulk modulus (309, 128, 195 GPa m-1), are smaller than those of graphene (343, 151, 208) but bigger than those of h-BN (286, 185, 116). Furthermore, the dielectric function, refractive index, reflectivity, absorption coefficient, and energy loss spectrum are also calculated to investigate the mechanism underpinning the optical transitions in BC2N, revealing monolayer BC2N as a candidate window material.

  10. Rectangular waveguide material characterization: anisotropic property extraction and measurement validation

    Science.gov (United States)

    Crowgey, Benjamin Reid

    for characterization of a sample filling the cross-section of a waveguide. Due to the rectangular nature of the waveguide, typically three different samples are manufactured from the same material in order to characterize the six complex material parameters. The second technique for measuring the electromagnetic properties of a biaxially anisotropic material sample uses a reduced-aperture waveguide sample holder designed to accommodate a cubical sample. All the tensor material parameters can then be determined by measuring the reflection and transmission coefficients of a single sample placed into several orientations. The parameters are obtained using a root-searching algorithm by comparing theoretically computed and measured reflection and transmission coefficients. The theoretical coefficients are determined using a mode matching technique. The first technique for characterizing the electromagnetic properties of gyromagnetic materials considers requires filling the cross-section of a waveguide. The material parameters are extracted from the measured reflection and transmission coefficients. Since the cross-sectional dimensions of waveguides become prohibitively large at low frequencies, and it is at these frequencies that the gyromagnetic properties are most pronounced, sufficiently large samples may not be available. Therefore, the second technique uses a reduced-aperture sample holder that does not require the sample to fill the entire cross section of the guide. The theoretical reflection and transmission coefficients for both methods are determined using a mode matching technique. A nonlinear least squares method is employed to extract the gyromagnetic material parameters. Finally, this dissertation introduces a waveguide standard that acts as a surrogate material with both electric and magnetic properties and is useful for verifying systems designed to characterize engineered materials using the NRW technique. A genetic algorithm is used to optimize the all

  11. Ab initio study of the modification of elastic properties of {alpha}-iron by hydrostatic strain and by hydrogen interstitials

    Energy Technology Data Exchange (ETDEWEB)

    Psiachos, D., E-mail: dpsiachos@gmail.com [ICAMS, Ruhr-Universitaet Bochum, Bochum (Germany); Hammerschmidt, T., E-mail: thomas.hammerschmidt@icams.rub.de [ICAMS, Ruhr-Universitaet Bochum, Bochum (Germany); Drautz, R., E-mail: ralf.drautz@icams.rub.de [ICAMS, Ruhr-Universitaet Bochum, Bochum (Germany)

    2011-06-15

    The effect of hydrostatic strain and of interstitial hydrogen on the elastic properties of {alpha}-iron is investigated using ab initio density-functional theory calculations. We find that the cubic elastic constants and the polycrystalline elastic moduli to a good approximation decrease linearly with increasing hydrogen concentration. This net strength reduction can be partitioned into a strengthening electronic effect which is overcome by a softening volumetric effect. The calculated hydrogen-dependent elastic constants are used to determine the polycrystalline elastic moduli and anisotropic shear moduli. For the key slip planes in {alpha}-iron, [11-bar0] and [112-bar], we find a shear modulus reduction of approximately 1.6% per at.% H.

  12. Elastic properties of solids at high pressure

    Science.gov (United States)

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

    2015-11-01

    This review examines the elastic response of solids under load. The definitions of isothermal and adiabatic elastic constants of ( n≥2) for a loaded crystal are given. For the case of hydrostatic pressure, two techniques are proposed for calculating the second-, third-, and fourth-order elastic constants from the energy-strain and stress-strain relations. As an example, using the proposed approach within the framework of the density functional theory, the second- to fourth-order elastic constants of bcc tungsten are calculated for the pressure range of 0-600 GPa.

  13. Intrinsic left-handed electromagnetic properties in anisotropic superconductors

    Science.gov (United States)

    Lin, Shi-Zeng; Chen, Hou-Tong

    2017-04-01

    Left-handed materials usually are realized in artificial subwavelength structures. Here, we show that some anisotropic superconductors such as Bi 2 Sr 2 CaCu 2 O 8 + δ , YBa 2 Cu x O y , and La 2 - x Sr x CuO 4 , are intrinsic left-handed materials. The condition is that the plasma frequency in the c axis, ωc, and in the ab plane, ωab, and the operating angular frequency, ω, satisfy ω c < ω < ω a b . In addition, ω should be smaller than the superconducting energy gap to sustain superconductivity. We study the reflection and transmission of electromagnetic waves and reveal negative refraction and the backward wave with the phase velocity opposite to the direction of energy flux propagation. We also discuss possible approaches for improvement, making these properties feasible for experimental validation. Being intrinsic left-hand materials, the anisotropic superconductors are promising for applications in functional electromagnetic devices in the terahertz frequency band.

  14. Elastic properties of Nb-based alloys by using the density functional theory

    Institute of Scientific and Technical Information of China (English)

    Liu Zeng-Hui; Shang Jia-Xiang

    2012-01-01

    A first-principles density functional approach is used to study the electronic and the elastic properties of Nb15X (X =Ti,Zr,Hf,V,Ta,Cr,Mo,and W) alloys.The elastic constants c11 and c12,the shear modulus C′,and the elastic modulus E〈100〉 are found to exhibit similar tendencies,each as a function of valence electron number per atom (EPA),while c44 seems unclear.Both c11 and c12 of Nb15X alloys increase monotonically with the increase of EPA.The C′ and E〈100〉 also show similar tendencies.The elastic constants (except c44) increase slightly when alloying with neighbours of a higher d-transition series.Our results are supported by the bonding density distribution.When solute atoms change from Ti(Zr,Hf) to V(Ta) then to Cr(Mo,W),the bonding electron density between the central solute atom and its first neighbouring Nb atoms is increased and becomes more anisotropic,which indicates the strong interaction and thus enhances the elastic properties of Nb-Cr(Mo,W) alloys.Under uniaxial (100) tensile loading,alloyed elements with less (more) valence electrons decrease (increase) the ideal tensile strength.

  15. First principle study of elastic and thermodynamic properties of FeB{sub 4} under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xinyu, E-mail: xyzhang@ysu.edu.cn, E-mail: jiaqianqin@gmail.com, E-mail: riping@ysu.edu.cn; Ning, Jinliang; Sun, Xiaowei; Li, Xinting; Ma, Mingzhen; Liu, Riping, E-mail: xyzhang@ysu.edu.cn, E-mail: jiaqianqin@gmail.com, E-mail: riping@ysu.edu.cn [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Qin, Jiaqian, E-mail: xyzhang@ysu.edu.cn, E-mail: jiaqianqin@gmail.com, E-mail: riping@ysu.edu.cn [Metallurgy and Materials Science Research Institute, Chulalongkorn University, Bangkok 10330 (Thailand); State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)

    2013-11-14

    The elastic properties, elastic anisotropy, and thermodynamic properties of the lately synthesized orthorhombic FeB{sub 4} at high pressures are investigated using first-principles density functional calculations. The calculated equilibrium parameters are in good agreement with the available experimental and theoretical data. The obtained normalized volume dependence of high pressure is consistent with the previous experimental data investigated using high-pressure synchrotron x-ray diffraction. The complete elastic tensors and crystal anisotropies of the FeB{sub 4} are also determined in the pressure range of 0–100 GPa. By the elastic stability criteria and vibrational frequencies, it is predicted that the orthorhombic FeB{sub 4} is stable up to 100 GPa. In addition, the calculated B/G ratio reveals that FeB{sub 4} possesses brittle nature in the range of pressure from 0 to 100 GPa. The calculated elastic anisotropic factors suggest that FeB{sub 4} is elastically anisotropic. By using quasi-harmonic Debye model, the compressibility, bulk modulus, the coefficient of thermal expansion, the heat capacity, and the Grüneisen parameter of FeB{sub 4} are successfully obtained in the present work.

  16. Theoretical Investigation of the Structural, Elastic, and Thermodynamic Properties of MgAl2O4 Spinel under High Pressure

    Science.gov (United States)

    Mao, Xiao-Chun; Liu, Ke; Hou, Bao-Sen; Tan, Jiao; Zhou, Xiao-Lin

    2016-11-01

    The structural and elastic properties of MgAl2O4 spinel under high pressure are investigated through the first-principles calculations. The lattice parameters and elastic constants are in good agreement with the available experimental and theoretical results. The polycrystalline elastic moduli of MgAl2O4 spinel are calculated using the Voigt-Reuss-Hill approximation. By the elastic stability criteria, the MgAl2O4 spinel is mechanically stable within 80 GPa. MgAl2O4 possesses ductile nature, and the ductility is enhanced with the increase of pressure. The sound velocities over a wide range of pressures are also obtained. Furthermore, the elastic anisotropies of MgAl2O4 are investigated via the various anisotropic indexes and the 3D surface constructions. It is found that MgAl2O4 is isotropic for bulk modulus, while is anisotropic for shear modulus and Young's modulus, and the elastic anisotropy of MgAl2O4 increases due to the applying pressure. Besides, the directions with smaller values of shear modulus for MgAl2O4 will deform preferentially under high hydrostatic pressure. Through the quasi-harmonic Debye model, we also investigated the thermodynamic properties of MgAl2O4 spinel.

  17. Hyperhoneycomb boron nitride with anisotropic mechanical, electronic, and optical properties

    Science.gov (United States)

    Yu, Jin; Qu, Lihua; van Veen, Edo; Katsnelson, Mikhail I.; Yuan, Shengjun

    2017-09-01

    Boron nitride structures have excellent thermal and chemical stabilities. Based on state-of-art theoretical calculations, we propose a wide-gap semiconducting BN crystal with a three-dimensional hyperhoneycomb structure (Hp-BN), which is both mechanically and thermodynamically stable. Our calculated results show that Hp-BN has a higher bulk modulus and a smaller energy gap as compared to c-BN. Moreover, due to the unique bonding structure, Hp-BN exhibits anisotropic electronic and optical properties. It has great adsorption in the ultraviolet region, but it is highly transparent in the visible and infrared region, suggesting that the Hp-BN crystal could have potential applications in electronic and optical devices.

  18. KINEMATIC WAVE PROPERTIES OF ANISOTROPIC DYNAMICS MODEL FOR TRAFFIC FLOW

    Institute of Scientific and Technical Information of China (English)

    姜锐; 吴清松; 朱祚金

    2002-01-01

    The analyses of kinematic wave properties of a new dynamics model for traffic flow are carried out. The model does not exhibit the problem that one characteristic speed is always greater than macroscopic traffic speed, and therefore satisfies the requirement that traffic flow is anisotropic. Linear stability analysis shows that the model is stable under certain condition and the condition is obtained. The analyses also indicate that the model has a hierarchy of first-and second-order waves, and allows the existence of both smooth traveling wave and shock wave. However, the model has a distinctive criterion of shock wave compared with other dynamics models, and the distinction makes the model more realistic in dealing with some traffic problems such as wrong-way travel analysis.

  19. 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.

  20. Elastic properties of superconductors and materials with weakly correlated spins.

    Science.gov (United States)

    Binek, Christian

    2017-07-07

    It is shown that in the ergodic regime, the temperature dependence of Young's modulus is solely determined by the magnetic properties of a material. For the large class of materials with paramagnetic or diamagnetic response, simple functional forms of the temperature derivative of Young's modulus are derived and compared with experimental data and empirical results. Superconducting materials in the Meissner phase are ideal diamagnets. As such, they display remarkable elastic properties. Constant diamagnetic susceptibility gives rise to a temperature independent elastic modulus for ceramic and single crystalline superconductors alike. The thermodynamic approach established in this report, paves the way to tailor elastic material parameters through the design of magnetic properties.

  1. Anisotropic properties of aligned SWNT modified poly (methyl methacrylate) nanocomposites

    Indian Academy of Sciences (India)

    Weixue Li; Qing Wang; Jianfeng Dai

    2006-06-01

    The poly (methyl methacrylate) (PMMA)/single-walled carbon nanotube (SWNT) composites with good uniformity, dispersion and alignment of SWNT were fabricated in an improved figuration process. The semidried mixture was stretched along one direction at a drawing ratio of 50 before it was dried, and then folded along the same direction stretching repeatedly for 100 times. The transmission electron microscopic (TEM) observation demonstrated that SWNT in the PMMA/SWNT composite tends to align in the stretching direction owing to a torque exerting on it in the stretching process. The electrical and mechanical properties of PMMA/SWNT composite were studied as a function of SWNT orientation and concentration. The aligned SWNT modified PMMA/SWNT composite presented highly anisotropic properties. The experimental results showed that the electrical conductivity and mechanical properties of composite rise with the increase of SWNT concentration, and that composite films showed higher conductivity and higher mechanical draw ratios along the stretched direction than perpendicular to it. The thermogravimetric analysis (TGA) revealed that embedding the SWNTs into the PMMA matrix also improves the thermal stability of the composite.

  2. Elastic Properties of Several Silicon Nitride Films

    Energy Technology Data Exchange (ETDEWEB)

    Liu, X.; Metcalf, T. H.; Wang, Q.; Photiadis, D. M.

    2007-01-01

    We have measured the internal friction (Q{sup -1}) of amorphous silicon nitride (a-SiN{sub x}) films prepared by a variety of methods, including low-pressure chemical-vapor deposition (LPCVD), plasma-enhanced chemical-vapor deposition (PECVD), and hot-wire chemical-vapor deposition (HWCVD) from 0.5 K to room temperature. The measurements are made by depositing the films onto extremely high-Q silicon double paddle oscillator substrates with a resonant frequency of {approx}5500 Hz. We find the elastic properties of these a-SiN{sub x} films resemble those of amorphous silicon (a-Si) films, demonstrating considerable variation which depends on the film growth methods and post deposition annealing. The internal friction for most of the films shows a broad temperature-independent plateau below 30 K, characteristic of amorphous solids. The values of Q{sup -1}, however, vary from film to film in this plateau region by more than one order of magnitude. This has been observed in tetrehedrally covalent-bonded amorphous thin films, like a-Si, a-Ge, and a-C. The PECVD films have the highest Q{sup -1} just like a normal amorphous solid, while LPCVD films have an internal friction more than one order of magnitude lower. All the films show a reduction of Q{sup -1} after annealing at 800 C, even for the LPCVD films which were prepared at 850 C. This can be viewed as a reduction of structural disorder.

  3. Introduction to physical properties and elasticity models: Chapter 20

    Science.gov (United States)

    Dvorkin, Jack; Helgerud, Michael B.; Waite, William F.; Kirby, Stephen H.; Nur, Amos

    2003-01-01

    Estimating the in situ methane hydrate volume from seismic surveys requires knowledge of the rock physics relations between wave speeds and elastic moduli in hydrate/sediment mixtures. The elastic moduli of hydrate/sediment mixtures depend on the elastic properties of the individual sedimentary particles and the manner in which they are arranged. In this chapter, we present some rock physics data currently available from literature. The unreferenced values in Table I were not measured directly, but were derived from other values in Tables I and II using standard relationships between elastic properties for homogeneous, isotropic material. These derivations allow us to extend the list of physical property estimates, but at the expense of introducing uncertainties due to combining property values measured under different physical conditions. This is most apparent in the case of structure II (sII) hydrate for which very few physical properties have been measured under identical conditions.

  4. Geomechanical and anisotropic acoustic properties of Lower Jurassic Posidonia shales from Whitby (UK)

    Science.gov (United States)

    Zhubayev, Alimzhan; Houben, Maartje; Smeulders, David; Barnhoorn, Auke

    2014-05-01

    The Posidonia Shale Formation (PSF) is one of the possible resource shales for unconventional gas in Northern Europe and currently is of great interest to hydrocarbon exploration and production. Due to low permeability of shales, economically viable production requires hydraulic fracturing of the reservoir. The design of hydrofractures requires an estimate of stress state within the reservoir and geomechanical properties such as Young's modulus and Poisson's ratio. Shales are often highly anisotropic and the models which neglect shale anisotropy may fail to predict the behaviour of hydrofractures. Seismic attenuation anisotropy, on the other hand, can play a key role in quantitative rock characterization. Where the attenuation anisotropy can potentially be linked to anisotropic permeability of shales, its fluid/gas saturation and preferred development of anisotropic fracture orientations. In this research, by utilizing the so-called Thomsen's notations, the elastic anisotropy of our (fractured and unfractured) shales has been investigated using a pulse transmission technique in the ultrasonic frequency range (0.3-1 MHz). Assuming transverse isotropy of the shales, and taking the axis x3 as the axis of rotational symmetry, directional Young's moduli and Poisson's ratios were obtained. The Young's modulus measured parallel to bedding (E1) is found to be larger than the Young's modulus measured orthogonal to bedding (E3). In case of the Poisson's ratios, we found that ν31 is larger than ν12, where νijrelates elastic strain in xj direction to stress applied in xi direction. Finally, attenuation anisotropy in dry and layer-parallel fractured Posidonia shale samples has been studied in the same frequency range. The attenuation of compressional (QP-1) and shear (QS-1) waves increases substantially with a macro (or wavelength) fracture introduction, especially for P and S waves propagating orthogonal to the bedding. In non-fractured and fractured dry shales, QP-1 is

  5. Elastic anisotropy and electronic properties of Si3N4 under pressures

    Directory of Open Access Journals (Sweden)

    Qingyang Fan

    2016-08-01

    Full Text Available First principles calculations are performed to systematically investigate the electronic structures, elastic, anisotropic and electronic properties of the monoclinic, tetragonal and orthorhombic structures of Si3N4 under pressure. Anisotropy studies show that three Si3N4 phases exhibit a large anisotropy. Furthermore, using the HSE06 hybrid functional, the monoclinic, tetragonal and orthorhombic phases are found to be wide band-gap semiconductors. The pressure induced band gap direct-indirect transition is found for monoclinic Si3N4. The elastic modulus, compressional and shear wave velocities as well as Debye temperatures as a function of pressure in three Si3N4 phases are also investigated in detail.

  6. Cavitation for Incompressible Anisotropic Hyper-Elastic Materials%不可压各向异性超弹性材料中的空穴生成

    Institute of Scientific and Technical Information of China (English)

    任九生; 程昌钧

    2002-01-01

    The cavitation problem in a solid sphere composed of an incompressible anisotropic hyper-elastic material under a uniform radial tensile dead load was examined. A new analytical solution was obtained. The stress contributions were given and the jumping and concentration of stresses were discussed. The stability of solutions and the effect of the degree of anisotropy of the material were analyzed.

  7. Comments on the criticism of Sarvajit Singh on the paper ‘Surface waves in fibre-reinforced anisotropic elastic media’

    Indian Academy of Sciences (India)

    P R Sengupta; Sisir Nath

    2002-06-01

    Though the decoupling of displacement potentials in case of fibrereinfoced anisotropic elastic media is not possible in the general case, an attempt has been made to decouple the equation as a particular case. The assumptions made in this paper satisfy both set of equations formed by the displacement potentials, which is the main feature of the criticism made by Sarvajit Singh.

  8. Elastic properties of fly ash-stabilized mixes

    Directory of Open Access Journals (Sweden)

    Sanja Dimter

    2015-12-01

    Full Text Available Stabilized mixes are used in the construction of bearing layers in asphalt and concrete pavement structures. Two nondestructive methods: resonant frequency method and ultrasonic pulse velocity method, were used for estimation of elastic properties of fly ash–stabilized mixes. Stabilized mixes were designed containing sand from the river Drava and binder composed of different share of cement and fly ash. The aim of the research was to analyze the relationship between the dynamic modulus of elasticity determined by different nondestructive methods. Data showed that average value of elasticity modulus obtained by the ultrasound velocity method is lower than the values of elasticity modulus obtained by resonant frequency method. For further analysis and enhanced discussion of elastic properties of fly ash stabilized mixes, see Dimter et al. [1].

  9. Elastic and electromechanical properties of polypropylene foam ferroelectrets

    Science.gov (United States)

    Dansachmüller, M.; Schwödiauer, R.; Bauer-Gogonea, S.; Bauer, S.; Paajanen, M.; Raukola, J.

    2005-01-01

    Internally charged closed-cell polymer electrets exhibit ferroelectric-like behavior and have been called ferroelectrets. They are attractive for soft electroactive transducers, the high compressibility leads to d33 transducer coefficients exceeding those of ferroelectric polymers. A technique for the measurement of the elastic modulus and the transducer coefficient of ferroelectrets is reported. The elastic behavior of ferroelectretic polypropylene foams is correlated with the piezoelectric-like properties. Prestress treatments linearize the transducer properties.

  10. Critical investigation of calculation methods for the elastic velocities in anisotropic ice polycrystals

    Science.gov (United States)

    Maurel, Agnès; Mercier, Jean-François; Montagnat, Maurine

    2016-12-01

    Crystallographic texture (or fabric) evolution with depth along ice cores can be evaluated using borehole sonic logging measurements. These measurements provide the velocities of elastic waves that depend on the ice polycrystal anisotropy, and they can further be related to the ice texture. To do so, elastic velocities need to be inverted from a modeling approach that relate elastic velocities to ice texture. So far, two different approaches can be found. A classical model is based on the effective medium theory; the velocities are derived from elastic wave propagation in a homogeneous medium characterized by an average elasticity tensor. Alternatively, a velocity averaging approach was used in the glaciology community that averages the velocities from a given population of single crystals with different orientations. In this paper, we show that the velocity averaging method is erroneous in the present context. This is demonstrated for the case of waves propagating along the clustering direction of a highly textured polycrystal, characterized by crystallographic c axes oriented along a single maximum (cluster). In this case, two different shear wave velocities are obtained while a unique velocity is theoretically expected. While making use of this velocity averaging method, reference work by Bennett (1968) does not end with such an unphysical result. We show that this is due to the use of erroneous expressions for the shear wave velocities in a single crystal, as the starting point of the averaging process. Because of the weak elastic anisotropy of ice single crystal, the inversion of the measured velocities requires accurate modeling approaches. We demonstrate here that the inversion method based on the effective medium theory provides physically based results and should therefore be favored.

  11. Elastic properties of gamma-Pu by resonant ultrasound spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Migliori, Albert [Los Alamos National Laboratory; Betts, J [Los Alamos National Laboratory; Trugman, A [Los Alamos National Laboratory; Mielke, C H [Los Alamos National Laboratory; Mitchell, J N [Los Alamos National Laboratory; Ramos, M [Los Alamos National Laboratory; Stroe, I [WORXESTER, MA

    2009-01-01

    Despite intense experimental and theoretical work on Pu, there is still little understanding of the strange properties of this metal. We used resonant ultrasound spectroscopy method to investigate the elastic properties of pure polycrystalline Pu at high temperatures. Shear and longitudinal elastic moduli of the {gamma}-phase of Pu were determined simultaneously and the bulk modulus was computed from them. A smooth linear and large decrease of all elastic moduli with increasing temperature was observed. We calculated the Poisson ratio and found that it increases from 0.242 at 519K to 0.252 at 571K.

  12. Rotation, inversion and perversion in anisotropic elastic cylindrical tubes and membranes

    KAUST Repository

    Goriely, A.

    2013-03-06

    Cylindrical tubes and membranes are universal structural elements found in biology and engineering over a wide range of scales.Working in the framework of nonlinear elasticity, we consider the possible deformations of elastic cylindrical shells reinforced by one or two families of fibres. We consider both small and large deformations and the reduction from thick cylindrical shells (tubes) to thin shells (cylindrical membranes). In particular, a number of universal parameter regimes can be identified where the response behaviour of the cylinder is qualitatively different. This include the possibility of inversion of twist or axial strain when the cylinder is subject to internal pressure. Copyright © The Royal Society 2013.

  13. Assessing the influence of van der Waals corrected exchange-correlation functionals on the anisotropic mechanical properties of coinage metals

    Science.gov (United States)

    Lee, Ji-Hwan; Park, Jong-Hun; Soon, Aloysius

    2016-07-01

    Current materials-related calculations employ density-functional theory (DFT), commonly using the (semi-)local-density approximations for the exchange-correlation (xc) functional. The difficulties in arriving at a reasonable description of van der Waals (vdW) interactions by DFT-based models is to date a big challenge. In this work, we use various flavors of vdW-corrected DFT xc functionals—ranging from the quasiempirical force-field add-on vdW corrections to self-consistent nonlocal correlation functionals—to study the bulk lattice and mechanical properties (including the elastic constants and anisotropic indices) of the coinage metals (copper, silver, and gold). We critically assess the reliability of the different vdW-corrected DFT methods in describing their anisotropic mechanical properties which have been less reported in the literature. In the context of this work, we regard that our results reiterate the fact that advocating a so-called perfect vdW-inclusive xc functional for describing the general physics and chemistry of these coinage metals could be a little premature. These challenges to modern-day functionals for anisotropically strained coinage metals (e.g., at the faceted surfaces of nanostructures) may well be relevant to other strained material systems.

  14. Stiffness matrix method with improved efficiency for elastic wave propagation in layered anisotropic media

    Science.gov (United States)

    Tan, Eng Leong

    2005-12-01

    This paper presents the recursive algorithm of stiffness matrix method with improved efficiency for computing the total and surface stiffness matrices for a general multilayered anisotropic media. Based on the eigensolutions commonly available for analysis of such media, the recursive algorithm deals with eigen-submatrices directly and bypasses all intermediate layer stiffness submatrices. The improved algorithm obviates the need to compute certain inverse of the original scheme and makes the stiffness matrix recursion more robust. In situation where transfer matrix is numerically stable and easily accessible, an improved recursive algorithm is also given directly in terms of transfer submatrices without involving their explicit inverse.

  15. Imaging of the elastic properties of tissue--a review.

    Science.gov (United States)

    Gao, L; Parker, K J; Lerner, R M; Levinson, S F

    1996-01-01

    Recently, a number of methods have been developed that make it possible to image the elastic properties of soft tissues. Because certain types of tissues such as malignant lesions, for example, have elastic properties that are markedly different from surrounding tissues, elasticity imaging could provide a significant adjunct to current diagnostic ultrasonic methods. Further, elasticity imaging techniques could be used to augment the study of tissues that change their elastic properties, such as skeletal and cardiac muscle. In this paper, we survey some of the previous work done in the related field of biomechanics, and we review measurement techniques from the 1950s to the 1980s. Different approaches to elastic imaging and signal processing are then discussed and a lexicography for elastic imaging is introduced. It is hoped that this nomenclature will provide a meaningful categorization of various approaches and will make evident the inherent parameters displayed and conditions applied in deriving the resulting images. Key assumptions and signal processing approaches are also reviewed. Finally, directions for future work are suggested.

  16. Elastic and viscoelastic properties of a type I collagen fiber.

    Science.gov (United States)

    Sopakayang, Ratchada; De Vita, Raffaella; Kwansa, Albert; Freeman, Joseph W

    2012-01-21

    A new mathematical model is presented to describe the elastic and viscoelastic properties of a single collagen fiber. The model is formulated by accounting for the mechanical contribution of the collagen fiber's main constituents: the microfibrils, the interfibrillar matrix and crosslinks. The collagen fiber is modeled as a linear elastic spring, which represents the mechanical contribution of the microfibrils, and an arrangement in parallel of elastic springs and viscous dashpots, which represent the mechanical contributions of the crosslinks and interfibrillar matrix, respectively. The linear elastic spring and the arrangement in parallel of elastic springs and viscous dashpots are then connected in series. The crosslinks are assumed to gradually break under strain and, consequently, the interfibrillar is assumed to change its viscous properties. Incremental stress relaxation tests are conducted on dry collagen fibers reconstituted from rat tail tendons to determine their elastic and viscoelastic properties. The elastic and total stress-strain curves and the stress relaxation at different levels of strain collected by performing these tests are then used to estimate the parameters of the model and evaluate its predictive capabilities.

  17. Elastic therapeutic tape: do they have the same material properties?

    Science.gov (United States)

    Boonkerd, Chuanpis; Limroongreungrat, Weerawat

    2016-01-01

    [Purpose] Elastic therapeutic tape has been widely used for rehabilitation and treatment of sports injuries. Tapes with different elastic properties serve different treatment purposes with inappropriate tension reducing tape effectiveness. Many tapes are available in the market, but studies on tape properties are limited. The aim of this study was to examine the material properties of elastic therapeutic tape. [Subjects and Methods] Brands of elastic therapeutic tape included KinesioTex®, ATex, Mueller, 3M, and ThaiTape. The Material Testing System Insight® 1 Electromechanical Testing Systems was used to apply a tensile force on elastic therapeutic tape. Ten specimens of each brand were tested. Stress, load, and Young’s modulus at 25%, 50%, 75%, 100%, and maximum point were collected. One-way analysis of variance with post hoc testing was used to analyze tape parameters. [Results] Maximum elongation and Young’s modulus at all percentages were significantly different between brands. There were no differences in maximum load and maximum stress. [Conclusion] Mechanical properties are different for commercial elastic therapeutic tapes. Physiotherapists and other clinicians should be aware of mechanical tape properties to correctly apply kinesio tape. PMID:27190472

  18. Elastic therapeutic tape: do they have the same material properties?

    Science.gov (United States)

    Boonkerd, Chuanpis; Limroongreungrat, Weerawat

    2016-04-01

    [Purpose] Elastic therapeutic tape has been widely used for rehabilitation and treatment of sports injuries. Tapes with different elastic properties serve different treatment purposes with inappropriate tension reducing tape effectiveness. Many tapes are available in the market, but studies on tape properties are limited. The aim of this study was to examine the material properties of elastic therapeutic tape. [Subjects and Methods] Brands of elastic therapeutic tape included KinesioTex(®), ATex, Mueller, 3M, and ThaiTape. The Material Testing System Insight(®) 1 Electromechanical Testing Systems was used to apply a tensile force on elastic therapeutic tape. Ten specimens of each brand were tested. Stress, load, and Young's modulus at 25%, 50%, 75%, 100%, and maximum point were collected. One-way analysis of variance with post hoc testing was used to analyze tape parameters. [Results] Maximum elongation and Young's modulus at all percentages were significantly different between brands. There were no differences in maximum load and maximum stress. [Conclusion] Mechanical properties are different for commercial elastic therapeutic tapes. Physiotherapists and other clinicians should be aware of mechanical tape properties to correctly apply kinesio tape.

  19. An in situ estimation of anisotropic elastic moduli for a submarine shale

    Science.gov (United States)

    Miller, Douglas E.; Leaney, Scott; Borland, William H.

    1994-11-01

    Direct arrival times and slownesses from wide-aperture walkaway vertical seismic profile data acquired in a layered anisotropic medium can be processed to give direct estimate of the phase slowness surface associated with the medium at the depth of the receivers. This slowness surface can, in turn, be fit by an estimated transversely isotropic medium with a vertical symmetry axis (a 'TIV' medium). While the method requires that the medium between the receivers and the surface be horizontally stratified, no further measurement or knowledge of that medium is required. When applied to data acquired in a compacting shale sequence (here termed the 'Petronas shale') encountered by a well in the South China Sea, the method yields an estimated TIV medium that fits the data extremely well over 180 deg of propagation angles sampled by 201 source positions. The medium is strongly anisotropic. The anisotropy is significantly anelliptic and implies that the quasi-shear mode should be triplicated for off-axis propagation. Estimated density-normalized moduli (in units of sq km/sq s) for the Petronas shale are A(sub 11) = 6.99 +/- 0.21, A(sub 33) = 5.53 +/- 0.17, A(sub 55) = 0.91 +/- 0.05, and A(sub 13) = 2.64 +/- 0.26. Densities in the logged zone just below the survey lie in the range between 2200 and 2400 kg/cu m with an average value close to 2300 kg/cu m.

  20. An engineered anisotropic nanofilm with unidirectional wetting properties

    Science.gov (United States)

    Malvadkar, Niranjan A.; Hancock, Matthew J.; Sekeroglu, Koray; Dressick, Walter J.; Demirel, Melik C.

    2010-12-01

    Anisotropic textured surfaces allow water striders to walk on water, butterflies to shed water from their wings and plants to trap insects and pollen. Capturing these natural features in biomimetic surfaces is an active area of research. Here, we report an engineered nanofilm, composed of an array of poly(p-xylylene) nanorods, which demonstrates anisotropic wetting behaviour by means of a pin-release droplet ratchet mechanism. Droplet retention forces in the pin and release directions differ by up to 80μN, which is over ten times greater than the values reported for other engineered anisotropic surfaces. The nanofilm provides a microscale smooth surface on which to transport microlitre droplets, and is also relatively easy to synthesize by a bottom-up vapour-phase technique. An accompanying comprehensive model successfully describes the film's anisotropic wetting behaviour as a function of measurable film morphology parameters.

  1. Comments on “Surface waves in fibre-reinforced anisotropic elastic media” by Sengupta and Nath[Sādhanā 26:363–370 (2001)

    Indian Academy of Sciences (India)

    Sarva Jit Singh

    2002-06-01

    In the paper under discussion, the problem of surface waves in fibrereinforced anisotropic elastic media has been studied. The authors express the plane strain displacement components in terms of two scalar potentials to decouple the plane motion into and SV waves. In the present note, we show that, for wave propagation in fibre-reinforced anisotropic media, this decoupling cannot be achieved by the introduction of the displacement potentials. In fact, the expressions for the displacement potentials used by the authors do not satisfy one of the equations of motion. Consequently, most of the equations and results of the subject paper are either irrelevant or incorrect.

  2. Stable determination of a rigid inclusion in an anisotropic elastic plate

    CERN Document Server

    Morassi, Antonino; Vessella, Sergio

    2011-01-01

    In this paper we consider the inverse problem of determining a rigid inclusion inside a thin plate by applying a couple field at the boundary and by measuring the induced transversal displacement and its normal derivative at the boundary of the plate. The plate is made by non-homogeneous linearly elastic material belonging to a general class of anisotropy. For this severely ill-posed problem, under suitable a priori regularity assumptions on the boundary of the inclusion, we prove a stability estimate of log-log type.

  3. Reflection and refraction properties of plane waves on the interface of uniaxially anisotropic chiral media.

    Science.gov (United States)

    Cheng, Qiang; Cui, Tie Jun

    2006-12-01

    We have investigated the reflection and refraction properties of plane waves incident from free space into a uniaxially anisotropic chiral medium, where the chirality appears only in one direction and the host medium can be either an isotropic dielectric or an anisotropic electric plasma. We show that the reflection and refraction properties are closely related to the dispersion relation of the chiral medium and that negative phase refractions and/or negative group refractions may occur. We further demonstrate that the two eigenwaves within the uniaxially anisotropic chiral medium behave differently with respect to the incident angle, and in some cases only one of them can be supported and transmitted. We have studied the critical angle and Brewster's angle with some special properties. We have also discussed the potential application of the uniaxially anisotropic chiral medium for the polarization beam splitter. Numerical results are given to validate our analysis.

  4. Effect of temperature on deep lined circular tunnels in transversely anisotropic elastic rock

    Directory of Open Access Journals (Sweden)

    Fei Tao

    2016-12-01

    Full Text Available Considerably less attention has been given to thermal stresses in a tunnel. Temperature changes in the ground or inside the tunnel, e.g. due to fire, can cause cracking and damage to the liner and surrounding ground. This study derived analytical solutions for stresses and displacements caused by thermal load for a lined circular tunnel under a transversely anisotropic ground where the ground anisotropy axis coincides with the stacking direction. The FEM code ABAQUS was used to study a lined deep tunnel when the ground anisotropy axis is perpendicular to the stacking direction. A parametric study was performed to investigate the effects of Young’s modulus, Poisson’s ratio, thermal conductivity and the coefficient of thermal expansion on the behavior of the liner and ground. The results show that the Young’s modulus and the coefficient of thermal expansion are the most important parameters that determine the stresses and displacements of the liner and ground. The analysis also shows that the thermal conductivity has a significant effect on the temperature distribution in the ground.

  5. Elastic properties and mechanical tension of graphene

    Science.gov (United States)

    Ramírez, R.; Herrero, C. P.

    2017-01-01

    Room-temperature simulations of graphene have been performed as a function of the mechanical tension of the layer. Finite-size effects are accurately reproduced by an acoustic dispersion law for the out-of-plane vibrations that, in the long-wave limit, behaves as ρ ω2=σ k2+κ k4 . The fluctuation tension σ is finite (˜0.1 N/m) even when the external mechanical tension vanishes. Transverse vibrations imply a duplicity in the definition of the elastic constants of the layer, as observables related to the real area of the surface may differ from those related to the in-plane projected area. This duplicity explains the variability of experimental data on the Young modulus of graphene based on electron spectroscopy, interferometric profilometry, and indentation experiments.

  6. Crack path predictions and experiments in plane structures considering anisotropic properties and material interfaces

    Directory of Open Access Journals (Sweden)

    P.O. Judt

    2015-10-01

    Full Text Available In many engineering applications special requirements are directed to a material's fracture behavior and the prediction of crack paths. Especially if the material exhibits anisotropic elastic properties or fracture toughnesses, e.g. in textured or composite materials, the simulation of crack paths is challenging. Here, the application of path independent interaction integrals (I-integrals, J-, L- and M-integrals is beneficial for an accurate crack tip loading analysis. Numerical tools for the calculation of loading quantities using these path-invariant integrals are implemented into the commercial finite element (FE-code ABAQUS. Global approaches of the integrals are convenient considering crack tips approaching other crack faces, internal boundaries or material interfaces. Curved crack faces require special treatment with respect to integration contours. Numerical crack paths are predicted based on FE calculations of the boundary value problem in connection with an intelligent adaptive re-meshing algorithm. Considering fracture toughness anisotropy and accounting for inelastic effects due to small plastic zones in the crack tip region, the numerically predicted crack paths of different types of specimens with material interfaces and internal boundaries are compared to subcritically grown paths obtained from experiments.

  7. Anisotropic compressive properties of passive porcine muscle tissue.

    Science.gov (United States)

    Pietsch, Renee; Wheatley, Benjamin B; Haut Donahue, Tammy L; Gilbrech, Ryan; Prabhu, Rajkumar; Liao, Jun; Williams, Lakiesha N

    2014-11-01

    The body has approximately 434 muscles, which makes up 40-50% of the body by weight. Muscle is hierarchical in nature and organized in progressively larger units encased in connective tissue. Like many soft tissues, muscle has nonlinear visco-elastic behavior, but muscle also has unique characteristics of excitability and contractibility. Mechanical testing of muscle has been done for crash models, pressure sore models, back pain, and other disease models. The majority of previous biomechanical studies on muscle have been associated with tensile properties in the longitudinal direction as this is muscle's primary mode of operation under normal physiological conditions. Injury conditions, particularly high rate injuries, can expose muscle to multiple stress states. Compressive stresses can lead to tissue damage, which may not be reversible. In this study, we evaluate the structure-property relationships of porcine muscle tissue under compression, in both the transverse and longitudinal orientations at 0.1 s-1, 0.01 s-1, or 0.001 s-1. Our results show an initial toe region followed by an increase in stress for muscle in both the longitudinal and transverse directions tested to 50% strain. Strain rate dependency was also observed with the higher strain rates showing significantly more stress at 50% strain. Muscle in the transverse orientation was significantly stiffer than in the longitudinal orientation indicating anisotropy. The mean area of fibers in the longitudinal orientation shows an increasing mean fiber area and a decreasing mean fiber area in the transverse orientation. Data obtained in this study can help provide insight on how muscle injuries are caused, ranging from low energy strains to high rate blast events, and can also be used in developing computational injury models.

  8. Homogenized Elastic Properties of Graphene for Small Deformations

    Directory of Open Access Journals (Sweden)

    Jurica Sorić

    2013-09-01

    Full Text Available In this paper, we provide the quantification of the linear and non-linear elastic mechanical properties of graphene based upon the judicious combination of molecular mechanics simulation results and homogenization methods. We clarify the influence on computed results by the main model features, such as specimen size, chirality of microstructure, the effect of chosen boundary conditions (imposed displacement versus force and the corresponding plane stress transformation. The proposed approach is capable of explaining the scatter of the results for computed stresses, energy and stiffness and provides the bounds on graphene elastic properties, which are quite important in modeling and simulation of the virtual experiments on graphene-based devices.

  9. Structures and elastic properties of OsN2 investigated via first-principles density functional calculations

    Science.gov (United States)

    Wu, Zhijian; Hao, Xianfeng; Liu, Xiaojuan; Meng, Jian

    2007-02-01

    The structure, elastic, and electronic properties of OsN2 at various space groups: cubic Fm-3m , Pa-3 , and orthorhombic Pnnm were studied by first-principles calculations based on density functional theory. Our calculation indicates that the structure in orthorhombic Pnnm phase is energetically more stable compared with cubic systems. It is metallic, mechanically stable and contains diatomic N-N units with the bond distance 1.418Å . These characters are consistent with experimental facts that OsN2 is orthorhombic and metallic. The calculated bulk modulus 394GPa is also the highest among the considered space groups, slightly larger than previous value 358GPa . The calculated elastic anisotropic factors and directional bulk modulus showed that OsN2 possess high elastic anisotropy.

  10. Disturbance of SH-type waves due to moving stress discontinuity in an anisotropic soil layer overlying an inhomogeneous elastic half-space

    Indian Academy of Sciences (India)

    D Mandal; P C Pal; S Kumar

    2014-04-01

    The disturbance and propagation of SH-type waves in an anisotropic soil layer overlying an inhomogeneous elastic half-space by a moving stress discontinuity is considered. Stress discontinuity moves with non-uniform velocity and is impulsive in nature. The displacements are obtained in exact form by themethod due to Cagniard modified by de Hoop. The numerical result is calculated for special cases and the natures are depicted graphically.

  11. High pressure elasticity and thermal properties of depleted uranium

    Science.gov (United States)

    Jacobsen, M. K.; Velisavljevic, N.

    2016-04-01

    Studies of the phase diagram of uranium have revealed a wealth of high pressure and temperature phases. Under ambient conditions the crystal structure is well defined up to 100 gigapascals (GPa), but very little information on thermal conduction or elasticity is available over this same range. This work has applied ultrasonic interferometry to determine the elasticity, mechanical, and thermal properties of depleted uranium to 4.5 GPa. Results show general strengthening with applied load, including an overall increase in acoustic thermal conductivity. Further implications are discussed within. This work presents the first high pressure studies of the elasticity and thermal properties of depleted uranium metal and the first real-world application of a previously developed containment system for making such measurements.

  12. Elastic properties of Li+ doped lead zinc borate glasses

    Science.gov (United States)

    Rajaramakrishna, R.; Lakshmikantha, R.; Anavekar, R. V.

    2014-04-01

    Glasses in the system 0.25PbO-(0.25-x) ZnO-0.5B2O3-xLi2O have been prepared by the melt quenching technique. Elastic properties, DSC studies have been employed to study the role of Li2O in the present glass system. Elastic properties and Debye temperature have been determined using pulsed echo ultrasonic interferometer operating at 10MHz. Sound velocities Vl, Vt and elastic moduli decrease up to 5 mol% and then gradually increase with increase in Li2O concentration. Debye temperature and the glass transition temperature decreases with increase in Li2O. Densities remains almost constant up to 15 mol% Li2O concentration and increases monotonically while the molar volume decreases with the increase of Li2O concentration. The results are discussed in view of the borate structural network and dual role of Zn and Pb in these glasses.

  13. Characterizing the elastic properties of tissues

    Directory of Open Access Journals (Sweden)

    Riaz Akhtar

    2011-03-01

    Full Text Available The quality of life of ageing populations is increasingly determined by age-related changes to the mechanical properties of numerous biological tissues. Degradation and mechanical failure of these tissues has a profound effect on human morbidity and mortality. Soft tissues have complex and intricate structures and, similar to engineering materials, their mechanical properties are controlled by their microstructure. Thus age-relate changes in mechanical behavior are determined by changes in the properties and relative quantities of microstructural tissue components. This review focuses on the cardiovascular system; it discusses the techniques used both in vivo and ex vivo to determine the age-related changes in the mechanical properties of arteries.

  14. The elastic properties of crystalline syndiotactic polypropylene

    Directory of Open Access Journals (Sweden)

    Paul Unwin

    1998-01-01

    Full Text Available The ability to predict the ultimate mechanical stiffness of a polymer is of considerable value because this provides a good indication of the effort which might justifiably be expended either in polymer synthesis or in polymer engineering to produce optimum polymer structures. Generally, the best mechanical properties are identified with those of the crystalline structure, so the problem is essentially one of measuring or predicting the crystal properties.

  15. Magnetic Cellulose Nanocrystal Based Anisotropic Polylactic Acid Nanocomposite Films: Influence on Electrical, Magnetic, Thermal, and Mechanical Properties.

    Science.gov (United States)

    Dhar, Prodyut; Kumar, Amit; Katiyar, Vimal

    2016-07-20

    This paper reports a single-step co-precipitation method for the fabrication of magnetic cellulose nanocrystals (MGCNCs) with high iron oxide nanoparticle content (∼51 wt % loading) adsorbed onto cellulose nanocrystals (CNCs). X-ray diffraction (XRD), Fourier transform infrared (FTIR), and Raman spectroscopic studies confirmed that the hydroxyl groups on the surface of CNCs (derived from the bamboo pulp) acted as anchor points for the adsorption of Fe3O4 nanoparticles. The fabricated MGCNCs have a high magnetic moment, which is utilized to orient the magnetoresponsive nanofillers in parallel or perpendicular orientations inside the polylactic acid (PLA) matrix. Magnetic-field-assisted directional alignment of MGCNCs led to the incorporation of anisotropic mechanical, thermal, and electrical properties in the fabricated PLA-MGCNC nanocomposites. Thermomechanical studies showed significant improvement in the elastic modulus and glass-transition temperature for the magnetically oriented samples. Differential scanning calorimetry (DSC) and XRD studies confirmed that the alignment of MGCNCs led to the improvement in the percentage crystallinity and, with the absence of the cold-crystallization phenomenon, finds a potential application in polymer processing in the presence of magnetic field. The tensile strength and percentage elongation for the parallel-oriented samples improved by ∼70 and 240%, respectively, and for perpendicular-oriented samples, by ∼58 and 172%, respectively, in comparison to the unoriented samples. Furthermore, its anisotropically induced electrical and magnetic properties are desirable for fabricating self-biased electronics products. We also demonstrate that the fabricated anisotropic PLA-MGCNC nanocomposites could be laminated into films with the incorporation of directionally tunable mechanical properties. Therefore, the current study provides a novel noninvasive approach of orienting nontoxic bioderived CNCs in the presence of low

  16. Atomic, Crystal, Elastic, Thermal, Nuclear, and Other Properties of Beryllium

    Energy Technology Data Exchange (ETDEWEB)

    Goldberg, A

    2006-02-01

    This report is part of a series of documents that provide a background to those involved in the construction of beryllium components and their applications. This report is divided into five sub-sections: Atomic/Crystal Structure, Elastic Properties, Thermal Properties, Nuclear Properties, and Miscellaneous Properties. In searching through different sources for the various properties to be included in this report, inconsistencies were at times observed between these sources. In such cases, the values reported by the Handbook of Chemistry and Physics was usually used. In equations, except where indicated otherwise, temperature (T) is in degrees Kelvin.

  17. Elastic properties of DNA linked flexible magnetic filaments

    Energy Technology Data Exchange (ETDEWEB)

    Erglis, K; Cebers, A [Department of Theoretical Physics, University of Latvia, Zellu 8, Riga, LV-1002 (Latvia); Zhulenkovs, D; Sharipo, A [Latvian Biomedical Research and Study Center, Ratsupites 1, Riga, LV-1067 (Latvia)], E-mail: aceb@tesla.sal.lv

    2008-05-21

    Elastic properties of magnetic filaments linked by DNA in solutions of univalent and bivalent salts with different pH values are investigated through their deformation in an external field. A strong dependence of the bending modulus in bivalent salt solution on the pH is shown. Experimental results are interpreted on the basis of the magnetic elastica.

  18. Electronic and Elastic Properties of CrO2 in the Orthorhombic CaCl2-TYPE Structure

    Science.gov (United States)

    Wu, H. Y.; Chen, Y. H.; Deng, C. R.; Su, X. F.

    2012-07-01

    The structure, electronic and elastic properties of CrO2 in the high pressure orthorhombic CaCl2 (Pnnm) phase are investigated by first-principles calculations based on density functional theory (DFT). Our calculated crystal parameters are in good agreement with the available experimental data. The electronic band structure, density of state (DOS) and projected density of state (PDOS) at 14 GPa are studied within local spin density approximation (LSDA) and generalized gradient approximation (GGA) in details. The CaCl2 phase of CrO2 still has the half metal character, which is in accordance with previous theoretical predictions. The elastic constants, bulk modulus, shear modulus, Young's modulus and Poisson ratio under pressures are successfully obtained for the orthorhombic CaCl2 phase of CrO2. This structure is mechanically stable at our applied range of pressures. The calculated elastic anisotropic factors show that the CaCl2 phase of CrO2 is provided with high elastic anisotropy and the elastic anisotropy decreases with increasing pressures. The propagation speed of transverse, longitudinal elastic wave together with associated Debye temperatures are also estimated.

  19. First principles study of structural, electronic, elastic and thermal properties of YX (X = Cd, In, Au, Hg and Tl) intermetallics

    Science.gov (United States)

    Chouhan, Sunil Singh; Pagare, Gitanjali; Rajagopalan, M.; Sanyal, S. P.

    2012-08-01

    The structural, electronic, elastic and thermal properties of YX (X = Cd, In, Au, Hg and Tl) intermetallic compounds crystallizing in B2-type structure have been studied using first principles density functional theory within generalized gradient approximation (GGA) for the exchange correlation potential. Amongst all the YX compounds, YIn is stable in distorted tetragonal (P4/mmm) CuAu-type structure at ambient pressure with very small energy difference of 0.00681 Ry. but it undergoes to CsCl-type (B2 phase) structure at 23.3 GPa. Rest of the compounds are stable in B2 structure at ambient condition. The values of elastic moduli as a function of pressure are also reported. The ductility of these compounds has been analyzed using the Pugh rule. Our calculated results indicate that YTl is the most ductile amongst all the B2-YX compounds. YAu is the hardest and less compressible compound due to the largest bulk modulus. The elastic properties such as Young's modulus (E), Poisson's ratio (σ) and anisotropic ratio (A) are also predicted. The anisotropic factor is found to be unity for YHg which shows that this compound is isotropic.

  20. Elastic and ultrasonic properties of single crystalline nickel nanowires.

    Science.gov (United States)

    Gupta, Mohit; Wan, Meher; Verma, S K; Yadav, R R

    2014-12-01

    In the present paper, we have theoretically calculated the non linear elastic constants of single crystalline Ni NWs at very broad temperature range 20-300K validating simple interaction potential model. The temperature dependent ultrasonic attenuation and other related properties are determined using their second and third order elastic constants (SOECs/TOECs). Where possible, the results are compared with experiments from literature. There is a correlation between the thermal conductivity and ultrasonic attenuation in the temperature range 100-300K. Also, a correlation between the resistivity and ultrasonic attenuation in the temperature range 40-100K has been established validating the theoretical approach.

  1. First-principles elastic properties of (alpha)-Pu

    Energy Technology Data Exchange (ETDEWEB)

    Soderlind, P; Klepeis, J E

    2008-11-04

    Density-functional electronic structure calculations have been used to investigate the ambient pressure and low temperature elastic properties of the ground-state {alpha} phase of plutonium metal. The electronic structure and correlation effects are modeled within a fully relativistic anti-ferromagnetic treatment with a generalized gradient approximation for the electron exchange and correlation functionals. The 13 independent elastic constants, for the monoclinic {alpha}-Pu system, are calculated for the observed geometry. A comparison of the results with measured data from resonant ultrasound spectroscopy for a cast sample is made.

  2. First-principles elastic properties of (alpha)-Pu

    Energy Technology Data Exchange (ETDEWEB)

    Soderlind, P; Klepeis, J

    2009-02-18

    Density-functional electronic-structure calculations have been used to investigate the ambient pressure and low temperature elastic properties of the ground-state {alpha} phase of plutonium metal. The electronic structure and correlation effects are modeled within a fully relativistic antiferromagnetic treatment with a generalized gradient approximation for the electron exchange and correlation functional. The 13 independent elastic constants, for the monoclinic {alpha}-Pu system, are calculated for the observed geometry. A comparison of the results with measured data from recent resonant ultrasound spectroscopy for a cast sample is made.

  3. Elastic and Electronic Properties of Point Defects in Titanium Carbide

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Daebok [Kyungsung Univ., Busan (Korea, Republic of)

    2013-12-15

    A theoretical study of the electronic structures of TiC{sub 1-x} and Ti{sub -1-x}W{sub x}C (x = 0, 0.25) is presented. The density of states and crystal orbital overlap population calculations were used to interpret variations of elastic properties induced by carbon vacancies and alloying substitutions. Our results show why the introduction of vacancies into TiC reduces bulk moduli, while W substitution at a Ti site increases the elastic modulus. The effect of the point defects on the bonding in TiC is investigated by means of extended Huckel tight-binding band calculations.

  4. Elastic properties of superconductors and materials with weakly correlated spins

    OpenAIRE

    Binek, Christian

    2017-01-01

    It is shown that in the ergodic regime, the temperature dependence of Young?s modulus is solely determined by the magnetic properties of a material. For the large class of materials with paramagnetic or diamagnetic response, simple functional forms of the temperature derivative of Young?s modulus are derived and compared with experimental data and empirical results. Superconducting materials in the Meissner phase are ideal diamagnets. As such, they display remarkable elastic properties. Const...

  5. Anisotropic elasticity and abnormal Poisson’s ratios in super-hard materials

    Directory of Open Access Journals (Sweden)

    Chuanwei Huang

    2014-12-01

    Full Text Available We theoretically investigated the variable mechanical properties such as Young’s modulus, Poisson’s ratios and compressibility in super-hard materials. Our tensorial analysis reveals that the mechanical properties of super-hard materials are strongly sensitive to the anisotropy index of materials. In sharp contrast to the traditional positive constant as thought before, the Poisson’s ratio of super-hard materials could be unexpectedly negative, zero, or even positive with a value much larger than the isotropic upper limit of 0.5 along definite directions. Our results uncover a correlation between compressibility and hardness, which offer insights on the prediction of new super-hard materials.

  6. Nano-Indentation of Anisotropic Material: Numerical Approaches to Extract Elasticities from Nano-Indentation

    OpenAIRE

    Sveaass, Tore

    2013-01-01

    Division of Biomechanics participates in a project together with Department of Cancer Research and Molecular Medicine, NTNU, on effects of proton pump inhibitor medication on bone quality. This common anti-stomach acid medication seems to result in an increased bone fragility in humans. As a step towards comparing mechanical properties at micro level, between sick and healthy bone tissue, mice femur have been tested at micro level using the increasingly popular tool, nanoindentation. Futher, ...

  7. Nano-Indentation of Anisotropic Material: Numerical Approaches to Extract Elasticities from Nano-Indentation

    OpenAIRE

    Sveaass, Tore

    2013-01-01

    Division of Biomechanics participates in a project together with Department of Cancer Research and Molecular Medicine, NTNU, on effects of proton pump inhibitor medication on bone quality. This common anti-stomach acid medication seems to result in an increased bone fragility in humans. As a step towards comparing mechanical properties at micro level, between sick and healthy bone tissue, mice femur have been tested at micro level using the increasingly popular tool, nanoindentation. Futher, ...

  8. Elastic Properties of the Single-Walled Carbon Nanotubes

    Directory of Open Access Journals (Sweden)

    O.B. Protsenko

    2012-03-01

    Full Text Available In this paper the elastic properties of two main types of single-walled carbon nanotubes (armchair and zigzag were simulated by analytical molecular mechanics models. The aim of this work is investigation and comparison of Young’s modulus, shear modulus and Poisson’s ratio variations of different types of tubes as functions of diameter. We obtained a set of closed-form expressions for the size-dependent elastic properties of armchair (n, n and zigzag (n, 0 tubes, which are basic for constructing mathematical models. Using those models elastic properties of single-walled nanotubes were evaluated. It was predicted that zigzag tube is more sensitive to chirality then armchair. Young’s and shear modules of both tubes were decreasing with diameter increasing. Poisson’s ratio was ranging from 0.16 to 0.29 and from 0.32 to 0.42 for an armchair and zigzag tubes respectively, but it was independent on chirality. It can be seen that predicted values of elastic characteristics for zigzag tube are larger then that for armchair tube, especially for smaller tubes. Results of this research can be used for design, analysis and evaluating of functioning and creating new materials based on carbon nanotubes.

  9. Elastic Sag Property of Low Carbon Martensite Spring Steel

    Institute of Scientific and Technical Information of China (English)

    LI Ye-sheng; CHEN Mi-song; WU Zi-ping; ZHU Yin-lu; DUO Tie-yun

    2004-01-01

    This paper studies the elastic sag resistance of new low-carbon martensite spring steel 35Si2CrVB developed recently and points out that the cause of elastic sag is attributed to cyclic softening of spring steel engendered during its serving,also considers that elastic sag property should be evaluated by dynamic mechanical properties of spring material such as dynamic yield strength σ'0.2, ratio of dynamic yield strength σ'0.2 vs. tensile strength σb (σ'0.2/σb) and ratio of dynamic yield strength σ' 0.2vs. static yield strengthσ0.2 (σ'0.2/σ0. 2 )etc. , which are measured by the cyclic stress-strain curve test. Compared with conventional spring steel 60Si2MnA, 35Si2CrVB has good advantages in both dynamic and static properties, which show it possesses higher elastic sag resistance than 60Si2MnA because of its lath-martensite structure tempering in low temperature different from 60Si2MnA steel's plate martensite structure tempering inmedium temperature. So it can be demonstrated that low carbon martensite spring steel is more appropriate for the demands of spring.

  10. Some Properties of the Transverse Elastic Waves in Quasiperiodic Structures

    Science.gov (United States)

    Tutor, J.; Velasco, V. R.

    We have studied the integrated density of states and fractal dimension of the transverse elastic waves spectrum in quasiperiodic systems following the Fibonacci, Thue-Morse and Rudin-Shapiro sequences. Due to the finiteness of the quasiperiodic generations, in spite of the high number of materials included, we have studied the possible influence of the boundary conditions, infinite periodic or finite systems, together with that of the different ways to generate the constituent blocks of the quasiperiodic systems, on the transverse elastic waves spectra. No relevant differences have been found for the different boundary conditions, but the different ways of generating the building blocks produce appreciable consequences in the properties of the transverse elastic waves spectra of the quasiperiodic systems studied here.

  11. Electronic and elastic properties of PbS under pressure

    Energy Technology Data Exchange (ETDEWEB)

    Li Wei, E-mail: towangteng@263.ne [Laboratory of Quantum Information Technology, School of Physics and Telecommunication Engineering, South China Normal University, 5100006, Guangzhou (China); Chen Junfang [Laboratory of Quantum Information Technology, School of Physics and Telecommunication Engineering, South China Normal University, 5100006, Guangzhou (China); Wang Teng [School of Computer, South China Normal University, 510631, Guangzhou (China)

    2010-03-01

    The electronic structures and elastic properties of lead sulfide are studied usingfirst-principles calculations. The energy band structure and density of state (DOS) of PbS at 0 GPa are calculated. The band gap energy of PbS versus the pressure 0-40 GPa is obtained. We find that the band gap energy decreases as the pressure increases. The geometry optimized structural parameters for PbS under different pressures are listed. The lattice parameter a, and enthalpy E both decrease with increasing pressure. However, parameter B, S and Y increase with pressure. The normalized lattice constants and the elastic modulus as two functions of pressure from 0-40 GPa are obtained. The calculated elastic constants C11 and C12 increase but with different rates under increasing pressure. However, C44 decrease under increasing pressure.

  12. Electronic and elastic properties of MoS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Li Wei, E-mail: tolwwt@163.co [Laboratory of Quantum Information Technology, School of Physics and Telecommunication Engineering, South China Normal University, 510006, Guangzhou (China); Chen Junfang; He Qinyu [Laboratory of Quantum Information Technology, School of Physics and Telecommunication Engineering, South China Normal University, 510006, Guangzhou (China); Wang Teng [School of Computer, South China Normal University, 510631, Guangzhou (China)

    2010-05-15

    The electronic structures and elastic properties of molybdenum disulfide are studied using first-principles calculations. The energy band structure and density of state (DOS) of MoS{sub 2} at 0 GPa are calculated. The band gap energy of MoS{sub 2} versus the pressure 0-40 GPa is obtained. We find that the band gap energy decreases as the pressure increases. The geometry optimized structural parameters for lithium nitride under different pressures are listed. The parameters a, c, and E (the enthalpy) all decrease with increasing pressure. However, parameter B (the bulk modulus), S (the shear modulus) and Y (the Young's modulus) increase with pressure. The normalized lattice constants and the elastic modulus as two functions of pressure from 0-40 GPa are obtained. All the calculated elastic constants C{sub ij} increase by different rates with increasing pressure.

  13. Elastic properties of Pu metal and Pu-Ga alloys

    Science.gov (United States)

    Söderlind, Per; Landa, Alex; Klepeis, J. E.; Suzuki, Y.; Migliori, A.

    2010-06-01

    We present elastic properties, theoretical and experimental, of Pu metal and Pu-Ga (δ) alloys together with ab initio equilibrium equation of state for these systems. For the theoretical treatment we employ density-functional theory in conjunction with spin-orbit coupling and orbital polarization for the metal and coherent-potential approximation for the alloys. Pu and Pu-Ga alloys are also investigated experimentally using resonant ultrasound spectroscopy. We show that orbital correlations become more important proceeding from α→β→γ plutonium, thus suggesting increasing f -electron correlation and a corresponding softening of the elastic moduli. For the δ-Pu-Ga alloys we find a softening with larger Ga content, i.e., atomic volume, bulk modulus, and elastic constants imply a weakened chemical bonding with addition of Ga. Our measurements confirm qualitatively the theory but uncertainties remain when comparing the model with experiments.

  14. Theoretical Study of Elastic Properties of Tungsten Disilicide

    Institute of Scientific and Technical Information of China (English)

    XU Guo-Liang; ZHANG Dong-Ling; XIA Yao-Zheng; LIU Xue-Feng; LIU Yu-Fang; ZHANG Xian-Zhou

    2009-01-01

    @@ The plane-wave pseudopotential method using the generalized gradient approximation within the framework of density functional theory is applied to analyse the lattice parameters, elastic constants, bulk moduli, shear moduli and Young's moduli of WSi2. The quasi-harmonic Debye model, using a set of total energy versus cell volume obtained with the plane-wave pseudopotential method, is applied to the study of the elastic properties and vibrational effects. The athermal elastic constants of WSi2 are calculated as a function of pressure up to 35 GPa. The relationship between bulk modulus and temperature up to 1200K is also obtained. Moreover, the Debye temperature is determined from the non-equilibrium Gibbs function. The calculated results are in good agreement with the experimental data.

  15. First-principles study of structural stability and elastic property of pre-perovskite PbTiO3

    Institute of Scientific and Technical Information of China (English)

    Liu Yong; Ni Li-Hong; Ren Zhao-Hui; Xu Gang; Li Xiang; Song Chen-Lu; Han Gao-Rong

    2012-01-01

    The structural stability and the elastic properties of a novel structure of lead titanate,which is named preperovskite PbTiO3 (PP-PTO) and is constructed with TiO6 octahedral columns arranged in a one-dimensional manner,are investigated by using first-principles calculations.PP-PTO is energetically unstable compared with conventional perovskite phases,however it is mechanically stable. The equilibrium transition pressures for changing from preperovskite to cubic and tetragonal phases are -0.5 GPa and -1.4 GPa,respectively,with first-order characteristics.Further,the differences in elastic properties between pre-perovskite and conventional perovskite phases are discussed for the covalent bonding network,which shows a highly anisotropic character in PP-PTO.This study provides a crucial insight into the structural stabilities of PP-PTO and conventional perovskite.

  16. Elastic properties and electron transport in InAs nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Migunov, Vadim

    2013-02-22

    The electron transport and elastic properties of InAs nanowires grown by chemical vapor deposition on InAs (001) substrate were studied experimentally, in-situ in a transmission electron microscope (TEM). A TEM holder allowing the measurement of a nanoforce while simultaneous imaging nanowire bending was used. Diffraction images from local areas of the wire were recorded to correlate elastic properties with the atomic structure of the nanowires. Another TEM holder allowing the application of electrical bias between the nanowire and an apex of a metallic needle while simultaneous imaging the nanowire in TEM or performing electron holography was used to detect mechanical vibrations in mechanical study or holographical observation of the nanowire inner potential in the electron transport studies. The combination of the scanning probe methods with TEM allows to correlate the measured electric and elastic properties of the nanowires with direct identification of their atomic structure. It was found that the nanowires have different atomic structures and different stacking fault defect densities that impacts critically on the elastic properties and electric transport. The unique methods, that were applied in this work, allowed to obtain dependencies of resistivity and Young's modulus of left angle 111 right angle -oriented InAs nanowires on defect density and diameter. It was found that the higher is the defect density the higher are the resistivity and the Young's modulus. Regarding the resistivity, it was deduced that the stacking faults increase the scattering of the electrons in the nanowire. These findings are consistent with the literature, however, the effect described by the other groups is not so pronounced. This difference can be attributed to the significant incompleteness of the physical models used for the data analysis. Regarding the elastic modulus, there are several mechanisms affecting the elasticity of the nanowires discussed in the thesis. It

  17. Elastic properties of nematoid arrangements formed by amoeboid cells

    Science.gov (United States)

    Kemkemer, R.; Kling, D.; Kaufmann, D.; Gruler, H.

    2000-02-01

    In culture migrating and interacting amoeboid cells can form nematoid arrangements in analogy to a nematic liquid crystal phase. A nematoid arrangement is formed if the interaction has an apolar symmetry. Different cell types like human melanocytes (=pigment cells of the skin), human fibroblasts (=connective tissue cells), human osteoblasts (=bone cells), human adipocytes (=fat cells) etc., form a nematoid structure. Our hypothesis is that elastic properties of these nematoid structures can be described in analogy to that of classical nematic liquid crystals. The orientational elastic energy is derived and the orientational defects (disclination) of nematoid arrangements are investigated. The existence of half-numbered disclinations shows that the nematoid structure has an apolar symmetry. The density- and order parameter dependence of the orientational elastic constants and their absolute values are estimated. From the defect structure, one finds that the splay elastic constant is smaller than the bend elastic constant (melanocytes). The core of a disclination is either a cell free space or occupied by non oriented cells (isotropic state), by a cell with a different symmetry, or by another cell type.

  18. Effects of Magnetic Field, Porosity and Wall Properties for Anisotropically Elastic Multi-Stenosis Arteries on the Characteristics of Blood Flow%磁场、多孔性和各向异性动脉壁有多处狭窄段时对血液流动的影响

    Institute of Scientific and Technical Information of China (English)

    Kh·S·梅克赫默; M·H·哈劳恩; M·A·艾可特

    2011-01-01

    A mathematical model for blood flow through an elastic artery with multi-stenosis under effect of a magnetic field in a porous medium was presented. The arterial segment under consideration was simulated by an anisotropically elastic cylindrical tube filled with a viscous incompressible electrically conducting fluid representing blood. The analysis was carried out for an artery with mild local narrowing in its lumen forming a stenosis. The effects of arterial wall parameters that represent the viscoelastic stresses components acting along the longitudinal and circumferential directions T, and T, respectively, the degree of anisotropy of the vessel wall y, the total mass of the vessel and the surrounding tissues M and the contributions of the viscous and elastic constraints to the total tethering C and K respectively on the resistance impedance, the wall shear stress distribution, the radial and axial velocities had been well illustrated. Also the effects of the stenosis shape m, the constant of permeability k, the Hartmann number Ha and the maximum height of the stenosis size S on the fluid flow characteristics were investigated. The obtained results show that the flow was appreciably influenced by the surrounding connective tissues of the motion of the arterial wall and the degree of anisotropy of the vessel wall play an important role to determine the material of the artery. Further the wall shear stress distribution increases with increasing Tt and y while it decreases with increasing T,, M, C and K. The transmission of the wall shear stress distribution and the resistance impedance at the wall surface through a tethered tube were substantially lower than those through the free tube while the shearing stress distribution at the stenosis throat had inverse character through totally tethered and tree tubes. The trapping bolus increases in size toward the line center of the tube as the constant of permeability k increases and it decreases by increasing Hartmann

  19. Effect of hydrostatic pressure on elastic properties of ZDTP tribofilms

    CERN Document Server

    Demmou, Karim; Loubet, Jean-Luc

    2007-01-01

    Previous studies have shown that the elastic properties of Zinc Dialkyl-dithiophosphate (ZDTP) tribofilms measured by nanoindentation increase versus applied pressure (Anvil effect) [1, 2]. The aim of this paper is to demonstrate that, up to 8 GPa, this increase is a reversible phenomenon. A ZDTP tribofilm has been produced on "AISI 52100" steel substrate using a Cameron-Plint tribometer. After its formation, a hydrostatic pressure of about 8 GPa was applied during one minute on the tribofilm using a large radius steel ball ("Brinell-like" test). Nanoindentation tests were performed with a Berkovich tip on pads in order to measure and compare the mechanical properties of the tribofilm inside and outside the macroscopic plastically deformed area. Careful AFM observations have been carried out on each indent in order to take into account actual contact area. No difference in elastic properties was observed between the two areas: tribofilm modulus and pressure sensitivity are the same inside and outside the resi...

  20. Reporting buckling strength and elastic properties of nanowires

    Science.gov (United States)

    Shaat, M.; Abdelkefi, A.

    2016-12-01

    Nanocrystalline-nanowires have been incorporated in many micro-/nano-scale applications. To design nanowires-based nano-devices, studies should be conducted on the characterization of the elastic properties and the buckling strengths of nanowires. The challenge associated with detecting the properties of nanowires is that their properties are size-dependent. This motivated us to propose a model for the mechanics of nanocrystalline nanowires. In the context of this model, new measures are incorportated to account for the nanowire material structure and size effects and to reflect the experimental observations of nanomaterials-nanowires. This model is then harnessed to report the ranges of the buckling strength and the elastic properties of nanowires made of nanocrystalline diamond, Si, Al, Cu, Ag, Au, and Pt, for the first time. First, we report the range of the grain boundary Young's modulus for the various nanocrystalline materials. Depending on the contents of the grain boundary and the amount of impurities, the grain boundary Young's modulus is likely to be within the reported ranges. Second, for each grain size (from 200 nm to 2 nm), we report the range of Young's modulus, shear modulus, bulk modulus, and mass density of the aforementioned nanocrystalline nanomaterials. Third, we report the buckling strength and the equivalent Young's modulus of nanowires with different sizes accounting for the nanowire surface effects. The reported ranges of the buckling strength and the elastic properties of nanowires are experimentally validated.

  1. 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

  2. First-principles study on the electronic, elastic and thermodynamic properties of three novel germanium nitrides

    Science.gov (United States)

    Yuping, Cang; Xiaoling, Yao; Dong, Chen; Fan, Yang; Huiming, Yang

    2016-07-01

    The ultrasoft pseudo-potential plane wave method combined with the quasi-harmonic approach have been used to study the electronic, elastic and thermodynamic properties of the tetragonal, monoclinic and orthorhombic Ge3N4. The negative formation enthalpies, the satisfactory of Born's criteria and the linear variations of elastic constants with pressure indicate that the three polymorphs can retain their stabilities in the pressure range of 0-25 GPa. The three Ge3N4 are brittle solids at 0 GPa, while they behave in ductile manners in the pressure range of 5-25 GPa. t- and o-Ge3N4 are hard materials but anisotropic. m-Ge3N4 has the largest ductility among the three phases. The results reveal that m-Ge3N4 belongs to an indirect band gap semiconductor, while t- and o-Ge3N4 have direct band gaps. For the thermal properties, several interesting features can be observed above 300 K. o-Ge3N4 exhibits the largest heat capacity, while m-Ge3N4 shows the highest Debye temperature. The results predicted in this work can provide reference data for future experiments. Project supported by the National Natural Science Foundation of China (Nos. 61475132, 11475143, 61501392, 11304141) and the National Training Programs of Innovation and Entrepreneurship for Undergraduates (No. 201510477001).

  3. Diffraction properties of four-petal Gaussian beams in uniaxially anisotropic crystal

    Institute of Scientific and Technical Information of China (English)

    Bin Tang; Yi Jin; Meiping Jiang; Xingfang Jiang

    2008-01-01

    @@ Propagation properties of polarized four-petal Gaussian beams along the optical axis of uniaxially anisotropic crystals were investigated. Based on the paraxially vectorial theory of beam propagation, analytic expressions of the diffraction light field were obtained. The effects of the anisotropy on the polarization properties of the diffracted four-petal Gaussian beams have also been explained by numerical method. The results elucidate that the linear polarization state and the symmetry of the incident beams cannot be kept during propagation in anisotropic crystals.

  4. ELASTIC PROPERTIES OF SILICA POLYMORPHS – A REVIEW

    Directory of Open Access Journals (Sweden)

    Pabst W.

    2013-09-01

    Full Text Available The elastic properties of silica phases are reviewed. Available monocrystal data for crystalline SiO2 polymorphs (low-quartz, high-quartz, low-cristobalite, high-cristobalite, stishovite are collected from the literature, and effective elastic constants (Young’s moduli, shear moduli, bulk moduli and Poisson ratios are calculated from these using Voigt-Reuss-Hill averaging. Both experimental data and simulation results are taken into account. A table of room temperature elastic constants for crystalline silica polymorphs and silica glass is given that lists the recommended current “state-of-the-art“ values. All data are consistent with the well-known auxetic behavior of cristobalite at room temperature, and high-temperature simulation data published for cristobalite confirm auxetic behavior for all temperatures from room temperature up to more than 1500°C. The calculations of this paper show that also quartz can be auxetic, but only in a very limited temperature range around the low-to-high-quartz transition temperature (420 – 577°C. Experimental measurements of elastic properties of tridymite and cristobalite, including high-temperature measurements, are identified as a desideratum of future research.

  5. Structural phase transition and elastic properties of mercury chalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Varshney, Dinesh, E-mail: vdinesh33@rediffmail.com [School of Physics, Vigyan Bhavan, Devi Ahilya University, Khandwa Road Campus, Indore 452001 (India); Shriya, S. [School of Physics, Vigyan Bhavan, Devi Ahilya University, Khandwa Road Campus, Indore 452001 (India); Khenata, R. [Laboratoire de Physique Quantique et de Modelisation Mathematique (LPQ3M), Departement de Technologie, Universite de Mascara, 29000 Mascara (Algeria)

    2012-08-15

    Pressure induced structural transition and elastic properties of ZnS-type (B3) to NaCl-type (B1) structure in mercury chalcogenides (HgX; X = S, Se and Te) are presented. An effective interionic interaction potential (EIOP) with long-range Coulomb, as well charge transfer interactions, Hafemeister and Flygare type short-range overlap repulsion extended up to the second neighbor ions and van der Waals interactions are considered. Emphasis is on the evaluation of the pressure dependent Poisson's ratio {nu}, the ratio R{sub BT/G} of B (bulk modulus) over G (shear modulus), anisotropy parameter, Shear and Young's modulus, Lame constant, Kleinman parameter, elastic wave velocity and thermodynamical property as Debye temperature. The Poisson's ratio behavior infers that Mercury chalcogenides are brittle in nature. To our knowledge this is the first quantitative theoretical prediction of the pressure dependence of elastic and thermodynamical properties explicitly the ductile (brittle) nature of HgX and still awaits experimental confirmations. Highlights: Black-Right-Pointing-Pointer Vast volume discontinuity in phase diagram infers transition from ZnS to NaCl structure. Black-Right-Pointing-Pointer The shear elastic constant C{sub 44} is nonzero confirms the mechanical stability. Black-Right-Pointing-Pointer Pressure dependence of {theta}{sub D} infers the softening of lattice with increasing pressure. Black-Right-Pointing-Pointer Estimated bulk, shear and tetragonal moduli satisfied elastic stability criteria. Black-Right-Pointing-Pointer In both B3 and B1 phases, C{sub 11} and C{sub 12} increase linearly with pressure.

  6. Diameter-dependent thermodynamic and elastic properties of metallic nanoparticles

    Science.gov (United States)

    Chandra, Jeewan; Kholiya, Kuldeep

    2015-04-01

    A simple theoretical model has been proposed to study the diameter-dependent properties of metallic nanoparticles, i.e. Ag, Au, Al, Ni, Pb, Cu and Fe. The diameter-dependent thermodynamic properties includes melting temperature, Debye temperature, evaporation temperature, melting enthapy and melting entropy. The model is also extended to study the diameter-dependent elastic properties including bulk modulus, Young's modulus and thermal expansion coefficient. On comparison with available experimental findings and other theoretical approaches, the results obtained with the present formulation depict a close agreement and demonstrate the validity of the method proposed in the present paper.

  7. Structural, elastic and thermodynamic properties of Ti2SC

    Indian Academy of Sciences (India)

    Hongzhi Fu; Wenfang Liu; Tao Gao

    2011-12-01

    The structural parameters, elastic constants and thermodynamic properties of Ti2SC were investigated under pressure and temperature by using first-principles plane-wave pseudopotential density functional theory within the generalized gradient approximation. The obtained results are in agreement with the available experimental data. The bulk moduli along the - and -axes, $B_{a}$ and $B_{c}$, almost linearly increase with pressure, and the former is always smaller than the latter. The ratio of $B_{c}/B_{a}$ has a trend of gradual increase as the pressure increases. It is found that the elastic constants, anisotropy and Debye temperature of Ti2SC increase with pressure, while axial compressibility along the - and -axes decreases with pressure. The thermal properties including the equation of state, the Grüneisen parameter , the anisotropies $\\Delta_{p}, \\Delta_{S1}$ and $\\Delta_{S2}$, and the heat capacity are estimated at various pressures and temperatures.

  8. The influence of the anisotropic stress state on the intermediate strain properties of granular material

    KAUST Repository

    Goudarzy, M.

    2017-07-20

    This paper shows the effect of anisotropic stress state on intermediate strain properties of cylindrical samples containing spherical glass particles. Tests were carried out with the modified resonant column device available at Ruhr-Universität Bochum. Dry samples were subjected to two anisotropic stress states: (a) cell pressure, σ′h, constant and vertical stress, σ′v, increased (stress state GB-I) and (b) σ′v/σ′h equal to 2 (stress state GB-II). The experimental results revealed that the effect of stress state GB-II on the modulus and damping ratio was more significant and obvious than stress state GB-I. The effect of the anisotropic stress state was explained through the impact of confining pressure and anisotropic stress components on the stiffness and damping ratio. The results showed that: (a) G(γ) increased, η(γ) decreased and their strain non-linearity decreased with an increase in the confining pressure component σ′vσ′h; (b) G(γ) decreased, η(γ) increased and their strain non-linearity increased with an increase in the anisotropic stress component, σ′v/σ′h. The analysis of results revealed that reference shear strain was also affected by anisotropic stress state. Therefore, an empirical relationship was developed to predict the reference shear strain, as a function of confining pressure and anisotropic stress components. Additionally, the damping ratio was written as a function of the minimum damping ratio and the reference shear strain.

  9. Structural, electronic, magnetic and elastic properties of tetragonal layered diselenide KCo 2Se 2 from first principles calculations

    Science.gov (United States)

    Bannikov, V. V.; Shein, I. R.; Ivanovskii, A. L.

    2012-01-01

    The structural, elastic, magnetic and electronic properties of the layered tetragonal phase KCo 2Se 2 have been examined in details by means of the first-principles calculations and analyzed in comparison with the isostructural KFe 2Se 2 as the parent phase for the newest group of ternary superconducting iron-chalcogenide materials. Our data show that KCo 2Se 2 should be characterized as a quasi-two-dimensional ferromagnetic metal with highly anisotropic inter-atomic bonding owing to mixed ionic, covalent, and metallic contributions inside [Co 2Se 2] blocks, and with ionic bonding between the adjacent [Co 2Se 2] blocks and K sheets. This material should behave in a brittle manner, adopt enhanced elastic anisotropy rather in compressibility than in shear, and should show very low hardness.

  10. Influence of spherically anisotropic core on the optical properties of gold nanoshell

    Energy Technology Data Exchange (ETDEWEB)

    Wu, D.J. [Nanjing University, Department of Electronic Science and Engineering, Key Laboratory of Modern Acoustics of MOE, Nanjing (China); Jiangsu University, Faculty of Science, Zhenjiang (China); Liu, X.J. [Nanjing University, Department of Electronic Science and Engineering, Key Laboratory of Modern Acoustics of MOE, Nanjing (China)

    2009-03-15

    The optical properties of gold nanoshell with a core of spherically anisotropic material have been investigated by means of quasi-static theory. It is found with increasing the extent of anisotropy of the core that the surface plasmon resonance for the particle shows a red-shift and that the full width at half maximum (FWHM) of the plasmon resonance peak increases. The local electric field of the particle with anisotropic core is found to be enhanced compared to that with isotropic core. The larger enhancement of the local electric field for the particle is observed in the particle with smaller extent of anisotropy. (orig.)

  11. Elastic, electronic and optical properties of the cubic fluoro-perovskite KCaF 3 under pressure

    Science.gov (United States)

    Soleimanpour, Sh; Kanjouri, F.

    2015-07-01

    The elastic, electronic and optical properties of the cubic fluoro-perovskite KCaF 3 have been calculated using the full potential linearized augmented plane wave based on density functional theory. Exchange and correlation effects are taken into account by a generalized gradient approximation and an orbital independent modified Becke-Johnson potential coupled with generalized gradient approximation. The equilibrium lattice parameter, bulk modulus and its pressure derivative have been obtained using optimization method. The results are in good agreement with the available theoretical and experimental data. The elastic properties such as elastic constants, shear modulus, Young modulus, Poisson's ratio, B/G ratio, sound velocities for longitudinal and shear waves, Debye average velocity, Debye temperature and specific heat have been calculated. The pressure dependence of the elastic moduli has been also evaluated. Furthermore, elastic anisotropic properties for KCaF 3 have been analyzed in the pressure range of 0-40 GPa by calculating directional dependence of the Young's moduli in the crystal. From calculations of the electronic properties, it is found that the band gap is 10.4 (6.1) eV at the R-Γ direction in the Brillouin zone using modified Becke-Johnson potential coupled with generalized gradient approximation (generalized gradient approximation). The variation of the band gap versus pressure is well fitted to a quadratic function. The calculations show that indirect R-Γ to direct Γ -Γ band gap transition occurs at 20 GPa. Moreover, optical properties, such as the dielectric function, refractive index and extinction index, have been calculated for radiation up to 35 eV.

  12. Synthesis and optical properties of anisotropic metal nanoparticles.

    Science.gov (United States)

    Hao, Encai; Schatz, George C; Hupp, Joseph T

    2004-07-01

    In this paper we overview our recent studies of anisotropic noble metal (e.g. gold and silver) nanoparticles, in which a combination of theory and experiment has been used to elucidate the extinction spectra of the particles, as well as information related to their surface enhanced Raman spectroscopy. We used wet-chemical methods to generate several structurally well-defined nanostructures other than solid spheres, including silver nanodisks and triangular nanoprisms, and gold nanoshells and multipods. When solid spheres are transformed into one of these shapes, the surface plasmon resonances in these particles are strongly affected, typically red-shifting and even splitting into distinctive dipole and quadrupole plasmon modes. In parallel, we have developed computational electrodynamics methods based on the discrete dipole approximation (DDA) method to determine the origins of these intriguing optical features. This has resulted in considerable insight concerning the variation of plasmon wavelength with nanoparticle size, shape and dielectric environment, as well as the use of these particles for optical sensing applications.

  13. A first principles study of the electronic structure, elastic and thermal properties of UB2

    Science.gov (United States)

    Jossou, Ericmoore; Malakkal, Linu; Szpunar, Barbara; Oladimeji, Dotun; Szpunar, Jerzy A.

    2017-07-01

    Uranium diboride (UB2) has been widely deployed for refractory use and is a proposed material for Accident Tolerant Fuel (ATF) due to its high thermal conductivity. However, the applicability of UB2 towards high temperature usage in a nuclear reactor requires the need to investigate the thermomechanical properties, and recent studies have failed in highlighting applicable properties. In this work, we present an in-depth theoretical outlook of the structural and thermophysical properties of UB2, including but not limited to elastic, electronic and thermal transport properties. These calculations were performed within the framework of Density Functional Theory (DFT) + U approach, using Quantum ESPRESSO (QE) code considering the addition of Coulomb correlations on the uranium atom. The phonon spectra and elastic constant analysis show the dynamic and mechanical stability of UB2 structure respectively. The electronic structure of UB2 was investigated using full potential linear augmented plane waves plus local orbitals method (FP-LAPW+lo) as implemented in WIEN2k code. The absence of a band gap in the total and partial density of states confirms the metallic nature while the valence electron density plot reveals the presence of covalent bond between adjacent B-B atoms. We predicted the lattice thermal conductivity (kL) by solving Boltzmann Transport Equation (BTE) using ShengBTE. The second order harmonic and third-order anharmonic interatomic force constants required as input to ShengBTE was calculated using the Density-functional perturbation theory (DFPT). However, we predicted the electronic thermal conductivity (kel) using Wiedemann-Franz law as implemented in Boltztrap code. We also show that the sound velocity along 'a' and 'c' axes exhibit high anisotropy, which accounts for the anisotropic thermal conductivity of UB2.

  14. Elastic properties of Pu metal and Pu-Ga alloys

    Energy Technology Data Exchange (ETDEWEB)

    Soderlind, P; Landa, A; Klepeis, J E; Suzuki, Y; Migliori, A

    2010-01-05

    We present elastic properties, theoretical and experimental, of Pu metal and Pu-Ga ({delta}) alloys together with ab initio equilibrium equation-of-state for these systems. For the theoretical treatment we employ density-functional theory in conjunction with spin-orbit coupling and orbital polarization for the metal and coherent-potential approximation for the alloys. Pu and Pu-Ga alloys are also investigated experimentally using resonant ultrasound spectroscopy. We show that orbital correlations become more important proceeding from {alpha} {yields} {beta} {yields} {gamma} plutonium, thus suggesting increasing f-electron correlation (localization). For the {delta}-Pu-Ga alloys we find a softening with larger Ga content, i.e., atomic volume, bulk modulus, and elastic constants, suggest a weakened chemical bonding with addition of Ga. Our measurements confirm qualitatively the theory but uncertainties remain when comparing the model with experiments.

  15. Carleman estimates and unique continuation property for the anisotropic differential-operator equations

    Institute of Scientific and Technical Information of China (English)

    Veli B SHAKHMUROV

    2008-01-01

    The unique continuation theorems for the anisotropic partial differential-operator equations with variable coefficients in Banach-valued Lp-spaces are studied. To obtain the uniform maximal regularity and the Carleman type estimates for parameter depended differential-operator equations, the sufficient conditions are founded. By using these facts, the unique continuation properties are established. In the application part, the unique continuation properties and Carleman estimates for finite or infinite systems of quasielliptic partial differential equations are studied.

  16. Anisotropic seismic-waveform inversion: Application to a seismic velocity model from Eleven-Mile Canyon in Nevada

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yu [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Gao, Kai [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Huang, Lianjie [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Sabin, Andrew [Geothermal Program Office, China Lake, CA (United States)

    2016-03-31

    Accurate imaging and characterization of fracture zones is crucial for geothermal energy exploration. Aligned fractures within fracture zones behave as anisotropic media for seismic-wave propagation. The anisotropic properties in fracture zones introduce extra difficulties for seismic imaging and waveform inversion. We have recently developed a new anisotropic elastic-waveform inversion method using a modified total-variation regularization scheme and a wave-energy-base preconditioning technique. Our new inversion method uses the parameterization of elasticity constants to describe anisotropic media, and hence it can properly handle arbitrary anisotropy. We apply our new inversion method to a seismic velocity model along a 2D-line seismic data acquired at Eleven-Mile Canyon located at the Southern Dixie Valley in Nevada for geothermal energy exploration. Our inversion results show that anisotropic elastic-waveform inversion has potential to reconstruct subsurface anisotropic elastic parameters for imaging and characterization of fracture zones.

  17. Structural, electronic, and elastic properties of CuFeS2: first-principles study

    Science.gov (United States)

    Zhou, Meng; Gao, Xiang; Cheng, Yan; Chen, Xiangrong; Cai, Lingcang

    2015-03-01

    The structural, electronic, and elastic properties of CuFeS2 have been investigated by using the generalized gradient approximation (GGA), GGA + U (on-site Coulomb repulsion energy), the local density approximation (LDA), and the LDA + U approach in the frame of density functional theory. It is shown that when the GGA + U formalism is selected with a U value of 3 eV for the 3d state of Fe, the calculated lattice constants agree well with the available experimental and other theoretical data. Our GGA + U calculations indicate that CuFeS2 is a semiconductor with a band gap of 0.552 eV and with a magnetic moment of 3.64 µB per Fe atom, which are well consistent with the experimental results. Combined with the density of states, the band structure characteristics of CuFeS2 have been analyzed and their origins have been specified, which reveals a hybridization existing between Fe-3d, Cu-3s, and S-3p, respectively. The charge and Mulliken population analyses indicate that CuFeS2 is a covalent crystal. Moreover, the calculated elastic constants prove that CuFeS2 is mechanically stable but anisotropic. The bulk modulus obtained from elastic constants is 87.1 GPa, which agrees well with the experimental value of 91 ± 15 GPa and better than the theoretical bulk modulus 74 GPa obtained from GGA method by Lazewski et al. The obtained shear modulus and Debye temperature are 21.0 GPa and 287 K, respectively, and the latter accords well with the available experimental value. It is expected that our work can provide useful information to further investigate CuFeS2 from both the experimental and theoretical sides.

  18. Electronic, magnetic, elastic and thermodynamic properties of Cu{sub 2}MnGa

    Energy Technology Data Exchange (ETDEWEB)

    Ghosh, Sukriti [Department of Physics, Government Kamla Raja Girls Autonomous Post Graduate College, Gwalior 474001, Madhya Pradesh (India); Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior 474 011, Madhya Pradesh (India); Gupta, Dinesh C., E-mail: sosfizix@gmail.com [Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior 474 011, Madhya Pradesh (India)

    2016-08-01

    The full-potential linearized augmented plane wave method in the stable Fm-3m phase has been implemented to investigate the structural, elastic, magnetic and electronic properties of Cu{sub 2}MnGa. The optimized equilibrium lattice parameter in stable phase is found to be 5.9495 Å. By the spin resolved density of states calculations, we have shown that the exchange splitting due to Mn atom is the main reason of ferromagnetic behavior of Cu{sub 2}MnGa. The absence of energy gap in both the spin channels predicts that the material is metallic. The total and partial density of states, elastic constants, Shear, Bulk and Young’s moduli, Zener isotropy factor, Cauchy pressure, Pugh's ductility, Kleinman parameter and Poisson's ratio are reported for the first time for the alloy. Cauchy's pressure and Pugh's index of ductility label Cu{sub 2}MnGa as ductile. Cu{sub 2}MnGa is found to be ferromagnetic and anisotropic in nature. The quasi-harmonic approximations have been employed to study the pressure and temperature dependent thermodynamic properties of Cu{sub 2}MnGa. - Highlights: • It is the first attempt to predict a variety of crystal properties of Cu{sub 2}MnGa. • Cu{sub 2}MnGa shows magnetism and hence can prove to be important in modern technology. • Cu{sub 2}MnGa is ductile and hence can attract attention of scientists and technologists.

  19. Elastic Properties and Enhanced Piezoelectric Response at Morphotropic Phase Boundaries

    Directory of Open Access Journals (Sweden)

    Francesco Cordero

    2015-12-01

    Full Text Available The search for improved piezoelectric materials is based on the morphotropic phase boundaries (MPB between ferroelectric phases with different crystal symmetry and available directions for the spontaneous polarization. Such regions of the composition x − T phase diagrams provide the conditions for minimal anisotropy with respect to the direction of the polarization, so that the polarization can easily rotate maintaining a substantial magnitude, while the near verticality of the TMPB(x boundary extends the temperature range of the resulting enhanced piezoelectricity. Another consequence of the quasi-isotropy of the free energy is a reduction of the domain walls energies, with consequent formation of domain structures down to nanoscale. Disentangling the extrinsic and intrinsic contributions to the piezoelectricity in such conditions requires a high level of sophistication from the techniques and analyses for studying the structural, ferroelectric and dielectric properties. The elastic characterization is extremely useful in clarifying the phenomenology and mechanisms related to ferroelectric MPBs. The relationship between dielectric, elastic and piezoelectric responses is introduced in terms of relaxation of defects with electric dipole and elastic quadrupole, and extended to the response near phase transitions in the framework of the Landau theory. An account is provided of the anelastic experiments, from torsional pendulum to Brillouin scattering, that provided new important information on ferroelectric MPBs, including PZT, PMN-PT, NBT-BT, BCTZ, and KNN-based systems.

  20. Scale Properties of Anisotropic and Isotropic Turbulence in the Urban Surface Layer

    Science.gov (United States)

    Liu, Hao; Yuan, Renmin; Mei, Jie; Sun, Jianning; Liu, Qi; Wang, Yu

    2017-06-01

    The scale properties of anisotropic and isotropic turbulence in the urban surface layer are investigated. A dimensionless anisotropic tensor is introduced and the turbulent tensor anisotropic coefficient, defined as C, where C = 3d3 + 1 (d3 is the minimum eigenvalue of the tensor) is used to characterize the turbulence anisotropy or isotropy. Turbulence is isotropic when C ≈ 1 , and anisotropic when C ≪ 1 . Three-dimensional velocity data collected using a sonic anemometer are analyzed to obtain the anisotropic characteristics of atmospheric turbulence in the urban surface layer, and the tensor anisotropic coefficient of turbulent eddies at different spatial scales calculated. The analysis shows that C is strongly dependent on atmospheric stability ξ = (z-zd)/L_{MO} , where z is the measurement height, zd is the displacement height, and L_{MO} is the Obukhov length. The turbulence at a specific scale in unstable conditions (i.e., ξ < 0 ) is closer to isotropic than that at the same scale under stable conditions. The maximum isotropic scale of turbulence is determined based on the characteristics of the power spectrum in three directions. Turbulence does not behave isotropically when the eddy scale is greater than the maximum isotropic scale, whereas it is horizontally isotropic at relatively large scales. The maximum isotropic scale of turbulence is compared to the outer scale of temperature, which is obtained by fitting the temperature fluctuation spectrum using the von Karman turbulent model. The results show that the outer scale of temperature is greater than the maximum isotropic scale of turbulence.

  1. Comparative study on structural, elastic, dynamical, and thermodynamic properties of Weyl semimetals MX (M = Ta or Nb; X = As or P)

    Science.gov (United States)

    Liu, Lei; Wang, Zhao-Qi; Hu, Cui-E.; Cheng, Yan; Ji, Guang-Fu

    2017-09-01

    We present a comparative investigation on structural, elastic, dynamical and thermodynamic properties of Weyl semimetals MX (M = Ta or Nb; X = As or P) using density functional theory (DFT) within the generalized gradient approximation. The elastic properties of NbAs, TaP and NbP are obtained for the first time, then we compared them with each other and with some well-studied materials. Among four Weyl semimetals, TaP and NbAs possess the largest and smallest bulk modulus B, shear modulus G, and Young's modulus E, respectively, while NbP and TaAs own the maximum and minimum elastic Debye temperature. Through the analysis of three dimensional (3D) representations and two dimensional (2D) projections of Young's modulus, MX series exhibit distinct elastic anisotropy, especially for TaAs and NbAs. The calculated phonon dispersions of four Weyl semimetals show no imaginary frequency throughout the Brillouin zone, indicating they are dynamically stable. In addition, compared with other theoretical results, our calculated Brillouin-zone-center frequencies of MX series are more in line with experimental data. Furthermore, Phonon velocities are obtained using phonon spectra, and anisotropic phonon group velocities are responsible for their anisotropic lattice thermal conductivity. Additionally, thermodynamic properties are also predicted using the calculated phonon density of states. The results are in good agreement with available experimental values. We expect our work can provide more information for further experimental studies.

  2. Ultrasonic and micromechanical study of damage and elastic properties of SiC/RBSN ceramic composites. [Reaction Bonded Silicon Nitride

    Science.gov (United States)

    Chu, Y. C.; Hefetz, M.; Rokhlin, S. I.; Baaklini, G. Y.

    1992-01-01

    Ultrasonic techniques are employed to develop methods for nondestructive evaluation of elastic properties and damage in SiC/RBSN composites. To incorporate imperfect boundary conditions between fibers and matrix into a micromechanical model, a model of fibers having effective anisotropic properties is introduced. By inverting Hashin's (1979) microstructural model for a composite material with microscopic constituents the effective fiber properties were found from ultrasonic measurements. Ultrasonic measurements indicate that damage due to thermal shock is located near the surface, so the surface wave is most appropriate for estimation of the ultimate strength reduction and critical temperature of thermal shock. It is concluded that bonding between laminates of SiC/RBSN composites is severely weakened by thermal oxidation. Generally, nondestructive evaluation of thermal oxidation effects and thermal shock shows good correlation with measurements previously performed by destructive methods.

  3. Mechanical, elastic and thermodynamic properties of crystalline lithium silicides

    CERN Document Server

    Schwalbe, Sebastian; Trepte, Kai; Biedermann, Franziska; Mertens, Florian; Kortus, Jens

    2016-01-01

    We investigate crystalline thermodynamic stable lithium silicides phases (LixSiy) with density functional theory (DFT) and a force-field method based on modified embedded atoms (MEAM) and compare our results with experimental data. This work presents a fast and accurate framework to calculate thermodynamic properties of crystal structures with large unit cells with MEAM based on molecular dynamics (MD). Mechanical properties like the bulk modulus and the elastic constants are evaluated in addition to thermodynamic properties including the phonon density of states, the vibrational free energy and the isochoric/isobaric specific heat capacity for Li, Li12Si7, Li7Si3, Li13Si4, Li15Si4, Li21Si5, Li17Si4, Li22Si5 and Si. For a selected phase (Li13Si4) we study the effect of a temperature dependent phonon density of states and its effect on the isobaric heat capacity.

  4. Atomistic simulation of the structural and elastic properties of magnesite

    Indian Academy of Sciences (India)

    ZI-JIANG LIU; XIAO-WEI SUN; TING SONG; YUAN GUO; CAI-RONG ZHANG; ZHENG-RONG ZHANG

    2016-09-01

    Atomistic simulation was carried out to study the structural and elastic properties of MgCO$_3$ magnesite within the pressure range of the Earth’s mantle based on a novel force field. The lattice parameters and elasticconstants as a function of pressure up to 150 GPa are calculated. The results are in good agreement with the available experimental data and previous theoretical results, showing no phase transition over the pressure range of interest. We also found that magnesite exhibits a strong anisotropy throughout the lower mantle and that the nature of the anisotropy changes significantly with depth.

  5. Fractures in anisotropic media

    Science.gov (United States)

    Shao, Siyi

    Rocks may be composed of layers and contain fracture sets that cause the hydraulic, mechanical and seismic properties of a rock to be anisotropic. Coexisting fractures and layers in rock give rise to competing mechanisms of anisotropy. For example: (1) at low fracture stiffness, apparent shear-wave anisotropy induced by matrix layering can be masked or enhanced by the presence of a fracture, depending on the fracture orientation with respect to layering, and (2) compressional-wave guided modes generated by parallel fractures can also mask the presence of matrix layerings for particular fracture orientations and fracture specific stiffness. This report focuses on two anisotropic sources that are widely encountered in rock engineering: fractures (mechanical discontinuity) and matrix layering (impedance discontinuity), by investigating: (1) matrix property characterization, i.e., to determine elastic constants in anisotropic solids, (2) interface wave behavior in single-fractured anisotropic media, (3) compressional wave guided modes in parallel-fractured anisotropic media (single fracture orientation) and (4) the elastic response of orthogonal fracture networks. Elastic constants of a medium are required to understand and quantify wave propagation in anisotropic media but are affected by fractures and matrix properties. Experimental observations and analytical analysis demonstrate that behaviors of both fracture interface waves and compressional-wave guided modes for fractures in anisotropic media, are affected by fracture specific stiffness (controlled by external stresses), signal frequency and relative orientation between layerings in the matrix and fractures. A fractured layered medium exhibits: (1) fracture-dominated anisotropy when the fractures are weakly coupled; (2) isotropic behavior when fractures delay waves that are usually fast in a layered medium; and (3) matrix-dominated anisotropy when the fractures are closed and no longer delay the signal. The

  6. Phase stability and elastic properties of Cr-V alloys.

    Science.gov (United States)

    Gao, M C; Suzuki, Y; Schweiger, H; Doğan, Ö N; Hawk, J; Widom, M

    2013-02-20

    V is the only element in the periodic table that forms a complete solid solution with Cr and thus is particularly important in alloying strategy to ductilize Cr. This study combines first-principles density functional theory calculations and experiments to investigate the phase stability and elastic properties of Cr-V binary alloys. The cluster expansion study reveals the formation of various ordered compounds at low temperatures that were not previously known. These compounds become unstable due to the configurational entropy of bcc solid solution as the temperature is increased. The elastic constants of ordered and disordered compounds are calculated at both T = 0 K and finite temperatures. The overall trends in elastic properties are in agreement with measurements using the resonant ultrasound spectroscopy method. The calculations predict that addition of V to Cr decreases both the bulk modulus and the shear modulus, and enhances the Poisson's ratio, in agreement with experiments. Decrease in the bulk modulus is correlated to decrease in the valence electron density and increase in the lattice constant. An enhanced Poisson's ratio for bcc Cr-V alloys (compared to pure Cr) is associated with an increased density of states at the Fermi level. Furthermore, the difference charge density in the bonding region in the (110) slip plane is highest for pure Cr and decreases gradually as V is added. The present calculation also predicts a negative Cauchy pressure for pure Cr, and it becomes positive upon alloying with V. The intrinsic ductilizing effect from V may contribute, at least partially, to the experimentally observed ductilizing phenomenon in the literature.

  7. Phase stability and elastic properties of Cr-V alloys

    Energy Technology Data Exchange (ETDEWEB)

    Gao, M C; Suzuki, Y; Schweiger, H; Doğan, Ö N; Hawk, J; Widom, M

    2013-01-23

    V is the only element in the periodic table that forms a complete solid solution with Cr and thus is particularly important in alloying strategy to ductilize Cr. This study combines first-principles density functional theory calculations and experiments to investigate the phase stability and elastic properties of Cr–V binary alloys. The cluster expansion study reveals the formation of various ordered compounds at low temperatures that were not previously known. These compounds become unstable due to the configurational entropy of bcc solid solution as the temperature is increased. The elastic constants of ordered and disordered compounds are calculated at both T = 0 K and finite temperatures. The overall trends in elastic properties are in agreement with measurements using the resonant ultrasound spectroscopy method. The calculations predict that addition of V to Cr decreases both the bulk modulus and the shear modulus, and enhances the Poisson’s ratio, in agreement with experiments. Decrease in the bulk modulus is correlated to decrease in the valence electron density and increase in the lattice constant. An enhanced Poisson’s ratio for bcc Cr–V alloys (compared to pure Cr) is associated with an increased density of states at the Fermi level. Furthermore, the difference charge density in the bonding region in the (110) slip plane is highest for pure Cr and decreases gradually as V is added. The present calculation also predicts a negative Cauchy pressure for pure Cr, and it becomes positive upon alloying with V. The intrinsic ductilizing effect from V may contribute, at least partially, to the experimentally observed ductilizing phenomenon in the literature.

  8. Anisotropic Adhesion Properties of Triangular-Tip-Shaped Micropillars

    KAUST Repository

    Kwak, Moon Kyu

    2011-06-01

    Directional dry adhesive microstructures consisting of high-density triangular-tip-shaped micropillars are described. The wide-tip structures allow for unique directional shear adhesion properties with respect to the peeling direction, along with relatively high normal adhesion. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Anisotropic mechanical properties of magnetically aligned fibrin gels measured by magnetic resonance elastography.

    Science.gov (United States)

    Namani, Ravi; Wood, Matthew D; Sakiyama-Elbert, Shelly E; Bayly, Philip V

    2009-09-18

    The anisotropic mechanical properties of magnetically aligned fibrin gels were measured by magnetic resonance elastography (MRE) and by a standard mechanical test: unconfined compression. Soft anisotropic biomaterials are notoriously difficult to characterize, especially in vivo. MRE is well-suited for efficient, non-invasive, and non-destructive assessment of shear modulus. Direction-dependent differences in shear modulus were found to be statistically significant for gels polymerized at magnetic fields of 11.7 and 4.7 T compared to control gels. Mechanical anisotropy was greater in the gels polymerized at the higher magnetic field. These observations were consistent with results from unconfined compression tests. Analysis of confocal microscopy images of gels showed measurable alignment of fibrils in gels polymerized at 11.7 T. This study provides direct, quantitative measurements of the anisotropy in mechanical properties that accompanies fibril alignment in fibrin gels.

  10. Molecular Organization Induced Anisotropic Properties of Perylene - Silica Hybrid Nanoparticles.

    Science.gov (United States)

    Sriramulu, Deepa; Turaga, Shuvan Prashant; Bettiol, Andrew Anthony; Valiyaveettil, Suresh

    2017-08-10

    Optically active silica nanoparticles are interesting owing to high stability and easy accessibility. Unlike previous reports on dye loaded silica particles, here we address an important question on how optical properties are dependent on the aggregation-induced segregation of perylene molecules inside and outside the silica nanoparticles. Three differentially functionalized fluorescent perylene - silica hybrid nanoparticles are prepared from appropriate ratios of perylene derivatives and tetraethyl orthosilicate (TEOS) and investigated the structure property correlation (P-ST, P-NP and P-SF). The particles differ from each other on the distribution, organization and intermolecular interaction of perylene inside or outside the silica matrix. Structure and morphology of all hybrid nanoparticles were characterized using a range of techniques such as electron microscope, optical spectroscopic measurements and thermal analysis. The organizations of perylene in three different silica nanoparticles were explored using steady-state fluorescence, fluorescence anisotropy, lifetime measurements and solid state polarized spectroscopic studies. The interactions and changes in optical properties of the silica nanoparticles in presence of different amines were tested and quantified both in solution and in vapor phase using fluorescence quenching studies. The synthesized materials can be regenerated after washing with water and reused for sensing of amines.

  11. Anisotropic rock physics models for interpreting pore structures in carbonate reservoirs

    Institute of Scientific and Technical Information of China (English)

    Li Sheng-Jie; Shao Yu; Chen Xu-Qiang

    2016-01-01

    We developed an anisotropic effective theoretical model for modeling the elastic behavior of anisotropic carbonate reservoirs by combining the anisotropic self-consistent approximation and differential effective medium models. By analyzing the measured data from carbonate samples in the TL area, a carbonate pore-structure model for estimating the elastic parameters of carbonate rocks is proposed, which is a prerequisite in the analysis of carbonate reservoirs. A workfl ow for determining elastic properties of carbonate reservoirs is established in terms of the anisotropic effective theoretical model and the pore-structure model. We performed numerical experiments and compared the theoretical prediction and measured data. The result of the comparison suggests that the proposed anisotropic effective theoretical model can account for the relation between velocity and porosity in carbonate reservoirs. The model forms the basis for developing new tools for predicting and evaluating the properties of carbonate reservoirs.%♦Corresponding author: Li Sheng-Jie (Email: Richard@cup.edu.cn)

  12. Magnetic properties and thermal stability of anisotropic bonded Nd-Fe-B magnets by warm compaction

    Institute of Scientific and Technical Information of China (English)

    TAO Siwu; LU Xin; TIAN Jianjun; QU Xuanhui; Y. Honkura; H. Mitaraib; K. Noguchi

    2009-01-01

    Anisotropic bonded magnets were prepared by warm compaction using anisotropic Nd-Fe-B powder. The forming process, magnetic properties, and temperature stability were studied. The results indicate that the optimal temperature of the process, which was decided by the viscosity of the binders, was 110℃. With increasing pressure, the density of the magnets increased. When the pressure was above 700 MPa, the powder particles were destroyed and the magnetic properties decreased. The magnetic properties of the anisotropic bonded magnets were as follows: remanence Br = 0.98 T, intrinsic coercivity iHc=1361 kA/m, and maximum energy product BHmax = 166 kJ/m3. The magnets had excellent thermal stability because of the high coercivity and good squareness of demagnetization curves. The flux density of the magnets was 35% higher than that of isotropic bonded Nd-Fe-B magnets at 120℃ for 1000 h. The flux density of the bonded magnets showed little change with regard to temperature.

  13. Urban Aerosol Optical Properties Measurement by Elastic Counter-Look Lidar

    OpenAIRE

    Wang X.; Boselli A.; He Y; Sannino A.; Song C.; Spinelli N.

    2016-01-01

    The new developed elastic lidar system utilizes two identical elastic lidars, in counter-look configuration, to measure aerosol backscattering and extinction coefficients without any hypotheses. Compared to elastic-Raman lidar and high spectral resolution lidar, the proposed counter-look elastic lidar can use low power eyesafe laser and all available wavelengths. With this prototype lidar system, urban aerosol optical properties and their spatial distribution have been directly measured, incl...

  14. Electrospun PCL nanofibers with anisotropic mechanical properties as a biomedical scaffold.

    Science.gov (United States)

    Kim, Geun Hyung

    2008-06-01

    To design an ideal scaffold, various factors should be considered, such as pore size and morphology, mechanical properties versus porosity, surface properties and appropriate biodegradability. Of these factors, the importance of mechanical properties on cell growth is particularly obvious in tissues such as bone, cartilage, blood vessels, tendons and muscles. Although electrospun nanofibers provide easily applicable nano-sized structures which could be used as biomedical scaffolds, the mechanical properties are poor since an increased pore size and porosity are generally accompanied by a decrease in mechanical properties. In addition, the general electrospinning has been limited to the fabrication of a variety of anisotropic mechanical properties, which are extremely important parameters for designing a musculoskeletal system. In this study, scaffolds consisting of variously oriented nanofibers were produced using an electrospinning process modified with an auxiliary electrode and a two-axis robot collecting system. Using an auxiliary electrode, a stable Taylor cone and initial spun jets were obtained. The influence of the electrode was evaluated with electric field simulation. Using the modified electrospinning process, various directions of orientation of electrospun fibers could be acquired and the fabricated oriented nanofiber webs showed a mechanically anisotropic behavior and a higher hydrophilic property compared to randomly distributed fibrous mats.

  15. Strength and elastic properties of sandstone under different testing conditions

    Institute of Scientific and Technical Information of China (English)

    CHEN Yun-ping; WANG Si-jing; WANG En-zhi

    2007-01-01

    A laboratory experimental program performed on Wuhan sandstones was presented under monotonic loading, partial cyclic loading during loading path and sine wave cyclic loading with different strain rates to compare uniaxial compression strength and elastic properties (elastic modulus and Poisson ratio) under different conditions and influence of pore fluid on them. When the loading strain rates are 10-5, 10-4 and 10-3/s, uniaxial compression strengths of dry sandstones are 82.3, 126.6 and 141.6 MPa,respectively, and that of water saturated sandstones are 70.5, 108.3 and 124.1 MPa, respectively. The above results show that the uniaxial compression strength increases with the increase of strain rate, however, variation of softening coefficient is insignificant.Under monotonic loading condition, tangent modulus increases with an increment of stress (strain) to a maximum value at a certain stress level, beyond which it starts to decline. Under the partial cyclic loading during loading path condition, unloading or reloading modulus is larger than loading modulus, and unloading and reloading moduli are almost constants with respect to stress level,especially unloading modulus. Under the sine wave cyclic loading condition, tangent modulus and Poisson ratio display asymmetric 'X' shape with various strain, and the average unloading modulus is larger than the average loading modulus.

  16. Stress effects on the elastic properties of amorphous polymeric materials

    Energy Technology Data Exchange (ETDEWEB)

    Caponi, S., E-mail: silvia.caponi@cnr.it, E-mail: silvia.corezzi@unipg.it [Istituto Officina dei Materiali del CNR (CNR-IOM) - Unità di Perugia, c/o Dipartimento di Fisica e Geologia, Perugia I-06100 (Italy); Corezzi, S., E-mail: silvia.caponi@cnr.it, E-mail: silvia.corezzi@unipg.it [Dipartimento di Fisica e Geologia, Università di Perugia, Via A. Pascoli, I-06100 Perugia (Italy); CNR-ISC (Istituto dei Sistemi Complessi), c/o Università di Roma “LaSapienza,” Piazzale A. Moro 2, I-00185 Roma (Italy); Mattarelli, M. [NiPS Laboratory, Dipartimento di Fisica e Geologia, Università di Perugia, Via A. Pascoli, I-06100 Perugia (Italy); Fioretto, D. [Dipartimento di Fisica e Geologia, Università di Perugia, Via A. Pascoli, I-06100 Perugia (Italy)

    2014-12-07

    Brillouin light scattering measurements have been used to study the stress induced modification in the elastic properties of two glass forming polymers: polybutadiene and epoxy-amine resin, prototypes of linear and network polymers, respectively. Following the usual thermodynamic path to the glass transition, polybutadiene has been studied as a function of temperature from the liquid well into the glassy phase. In the epoxy resin, the experiments took advantage of the system ability to reach the glass both via the chemical vitrification route, i.e., by increasing the number of covalent bonds among the constituent molecules, as well as via the physical thermal route, i.e., by decreasing the temperature. Independently from the particular way chosen to reach the glassy phase, the measurements reveal the signature of long range tensile stresses development in the glass. The stress presence modifies both the value of the sound velocities and their mutual relationship, so as to break the generalized Cauchy-like relation. In particular, when long range stresses, by improvise sample cracking, are released, the frequency of longitudinal acoustic modes increases more than 10% in polybutadiene and ∼4% in the epoxy resin. The data analysis suggests the presence of at least two different mechanisms acting on different length scales which strongly affect the overall elastic behaviour of the systems: (i) the development of tensile stress acting as a negative pressure and (ii) the development of anisotropy which increases its importance deeper and deeper in the glassy state.

  17. Elastic properties of suspended multilayer WSe{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Rui, E-mail: rui.zhang@ed.ac.uk; Cheung, Rebecca [Scottish Microelectronics Centre, Alexander Crum Brown Road, The University of Edinburgh, King' s Buildings, Edinburgh EH9 3FF (United Kingdom); Koutsos, Vasileios [Institute for Materials and Processes, School of Engineering, The University of Edinburgh, King' s Buildings, Edinburgh EH9 3FB (United Kingdom)

    2016-01-25

    We report the experimental determination of the elastic properties of suspended multilayer WSe{sub 2}, a promising two-dimensional (2D) semiconducting material combined with high optical quality. The suspended WSe{sub 2} membranes have been fabricated by mechanical exfoliation of bulk WSe{sub 2} and transfer of the exfoliated multilayer WSe{sub 2} flakes onto SiO{sub 2}/Si substrates pre-patterned with hole arrays. Then, indentation experiments have been performed on these membranes with an atomic force microscope. The results show that the 2D elastic modulus of the multilayer WSe{sub 2} membranes increases linearly while the prestress decreases linearly as the number of layers increases. The interlayer interaction in WSe{sub 2} has been observed to be strong enough to prevent the interlayer sliding during the indentation experiments. The Young's modulus of multilayer WSe{sub 2} (167.3 ± 6.7 GPa) is statistically independent of the thickness of the membranes, whose value is about two thirds of other most investigated 2D semiconducting transition metal dichalcogenides, namely, MoS{sub 2} and WS{sub 2}. Moreover, the multilayer WSe{sub 2} can endure ∼12.4 GPa stress and ∼7.3% strain without fracture or mechanical degradation. The 2D WSe{sub 2} can be an attractive semiconducting material for application in flexible optoelectronic devices and nano-electromechanical systems.

  18. Elastic and Electrical Properties Evaluation of Low Resistivity Pays in Malay Basin Clastics Reservoirs

    Science.gov (United States)

    Almanna Lubis, Luluan; Ghosh, Deva P.; Hermana, Maman

    2016-07-01

    The elastic and electrical properties of low resistivity pays clastics reservoirs in Malay Basin are strongly dependent on the complex nature of the clay content, either dispersed or laminated/layered. Estimating the hydrocarbon pore volume from conventional electrical log, i.e. resistivity log, is quite a challenge. The low elastic impedance contrast also found as one of the challenge thus create a problem to map the distribution of the low resistivity reservoirs. In this paper, we evaluate the electrical properties and elastic rock properties to discriminate the pay from the adjacent cap rock or shale. Forward modeling of well log responses including electrical properties are applied to analyze the nature of the possible pays on laminated reservoir rocks. In the implementation of rock properties analysis, several conventional elastic properties are comparatively analyzed for the sensitivity and feasibility analysis on each elastic parameters. Finally, we discussed the advantages of each elastic parameters in detail. In addition, cross-plots of elastic and electrical properties attributes help us in the clear separation of anomalous zone and lithologic properties of sand and shale facies over conventional elastic parameter crossplots attributes. The possible relationship on electrical and elastic properties are discussed for further studies.

  19. Simultaneous inversion for anisotropic and structural crustal properties by stacking of radial and transverse receiver functions

    Science.gov (United States)

    Link, Frederik; Rümpker, Georg; Kaviani, Ayoub; Singh, Manvendra

    2016-04-01

    The well-known H-κ-stacking method of Zhu and Kanamori (2000) has developed into a standard tool to infer the thickness of the crust, H, and the average P to S-wave velocity ratio, κ. The stacking approach allows for the largely automated analysis of teleseismic waveforms recorded in the distance range between 30° and 95° . Here, we present an extension of the method to include the inversion for anisotropic crustal properties. For a single anisotropic crustal layer, this involves the computation of delay times and amplitudes for 20 P-to-S converted phases and their crustal reverberations, instead of (up to) five phases in the isotropic case (Kaviani and Rümpker, 2015). The delay times and amplitudes exhibit a complex dependency on slowness and backazimuth. They can be calculated semi-analytically from the eigenvalues and eigenvectors of the system matrix, as defined by Woodhouse (1974). A comparison of the calculated delay times and amplitudes with those obtained by similar methods (Frederiksen and Bostock, 2000) shows a very good agreement between the results. In our approach, the crust exhibits hexagonal anisotropy with a horizontal symmetry axis, such that the anisotropic properties are defined by two parameters: the orientation of the symmetry axis w.r.t. North, φ, and the percentage of anisotropy, a. The inversion, thus, involves a grid search in a 4-dimensional parameter space (H, κ, φ, a) and the stacking of both radial and transverse receiver functions. Known input parameters are the average P-wave velocity of the crust, and the slowness vector (as given by the event-receiver configuration and a global 1D-velocity model). The computations are performed by the new software package AnStack which is based on MATLAB. Synthetic test show that the extended anisotropic stacking has advantages compared to the conventional H-κ stacking as it may allow for inversions at even higher noise levels. We further test for the effect of the azimuthal distribution of

  20. Anisotropic surface hole-transport property of triphenylamine-derivative single crystal prepared by solution method

    Science.gov (United States)

    Umeda, Minoru; Katagiri, Mitsuhiko; Shironita, Sayoko; Nagayama, Norio

    2016-12-01

    This paper reports the anisotropic hole transport at the triphenylamine-derivative single crystal surface prepared by a solution method. Triphenylamine derivatives are commonly used in a hole-transport material for organic photoconductors of laser-beam printers, in which the materials are used as an amorphous form. For developing organic photovoltaics using the photoconductor's technology, preparation of a single crystal seems to be a specific way by realizing the high mobility of an organic semiconductor. In this study, a single crystal of 4-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)-benzenamine (TPA) was prepared and its anisotropic hole-transport property measured. First, the hole-transport property of the TPA was investigated based on its chemical structure and electrochemical redox characteristics. Next, a large-scale single crystal formation at a high rate was developed by employing a solution method based on its solubility and supersolubility curves. The grown TPA was found to be a single crystal based on the polarization micrograph observation and crystallographic analysis. For the TPA single crystal, an anisotropic surface conduction was found, which was well explained by its molecular stack structure. The measured current in the long-axis direction is one order of magnitude greater than that of amorphous TPA.

  1. Anisotropic magnetic properties of dysprosium iron garnet (DyIG)

    Energy Technology Data Exchange (ETDEWEB)

    Lahoubi, M; Younsi, W; Soltani, M-L [Department of Physics, Badji-Mokhtar University, BP 12 - 23000 Annaba (Algeria); Ouladdiaf, B, E-mail: mlahoubi@gmail.co [Institut Laue Langevin, BP 156 - 38042 Grenoble Cedex 9 (France)

    2010-01-01

    The magnetic properties of dysprosium iron garnet (DyIG) have been studied by performing high resolution powder neutron diffraction experiments and high dc fields magnetizations on single crystals. Among all the reflections (hkl) indexed in the nuclear cubic space group (CSG) Ia 3-bar d with h+k+l=2n and k=[000], the superstructure lines (hkl)* forbidden by the symmetry (222)* and (622)* are not observed in the patterns at all temperatures. The pattern at 130 K is well interpreted within the magnetic modes F belonging to the irreducible representation (IR) T{sub 1g} of the CSG and identified to the room temperature ferrimagnetic Neel model. The high magnetic field behavior of the spontaneous collinear magnetic structure (MS) along the easy axis (EA) <111> is isotropic. Below 130 K, the patterns exhibit additional magnetic superstructure lines. They are associated to the appearance of the spontaneous non collinear MS which is described in the subgroup of the CSG, R 3-bar c within the IR A{sub 2g}. A strong magnetization anisotropy (MA) is observed at 1.5 K in the low symmetry phases were the spin reorientation transition (SR) occur at T{sub RS}=14.5 K. The onset of MA is detected below two characteristic temperatures, Ta{sub 1}=125 K and Ta{sub 2}=75 K respectively to the hard axis (HA) <100> and <110>. Symmetry arguments are used in the framework of the theory of representation analysis (RA) applied to the subgroup of R 3-bar c, C2/c within the IR A{sub g}. It seems that this MA results essentially from the difference between the spontaneous non collinear MS and the field induced (FI) configurations. All results are discussed with previous neutrons studies.

  2. Seismic measurements to reveal short-term variations in the elastic properties of the Earth crust

    Science.gov (United States)

    Piccinini, Davide; Zaccarelli, Lucia; Pastori, Marina; Margheriti, Lucia; Pio Lucente, Francesco; De Gori, Pasquale; Faenza, Licia; Soldati, Gaia

    2013-04-01

    Since the late the late '60s-early '70s era seismologists started developed theories that included variations of the elastic property of the Earth crust and the state of stress and its evolution crust prior to the occurrence of a large earthquake. Among the others the theory of the dilatancy (Scholz et al., 1973): when a rock is subject to stress, the rock grains are shifted generating micro-cracks, thus the rock itself increases its volume. Inside the fractured rock, fluid saturation and pore pressure play an important role in earthquake nucleation, by modulating the effective stress. Thus measuring the variations of wave speed and of anisotropic parameter in time can be highly informative on how the stress leading to a major fault failure builds up. In 80s and 90s such kind of research on earthquake precursor slowed down and the priority was given to seismic hazard and ground motions studies, which are very important since these are the basis for the building codes in many countries. Today we have dense and sophisticated seismic networks to measure wave-fields characteristics: we archive continuous waveform data recorded at three components broad-band seismometers, we almost routinely obtain high resolution earthquake locations. Therefore we are ready to start to systematically look at seismic-wave propagation properties to possibly reveal short-term variations in the elastic properties of the Earth crust. One seismological quantity which, since the '70s, is recognized to be diagnostic of the level of fracturation and/or of the pore pressure in the rock, hence of its state of stress, is the ratio between the compressional (P-wave) and the shear (S-wave) seismic velocities, the Vp/Vs (Nur, 1972; Kisslinger and Engdahl, 1973). Variations of this ratio have been recently observed and measured during the preparatory phase of a major earthquake (Lucente et al. 2010). In active fault areas and volcanoes, tectonic stress variation influences fracture field orientation

  3. Elastic properties and atomic bonding character in metallic glasses

    Energy Technology Data Exchange (ETDEWEB)

    Rouxel, T., E-mail: tanguy.rouxel@univ-rennes1.fr [Institut de Physique de Rennes, IPR, UMR-CNRS 6251, Université de Rennes, campus de Beaulieu, 35042 Rennes cedex (France); Yokoyama, Y. [Cooperative Research and Development Center for Advanced Materials, Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan)

    2015-07-28

    The elastic properties of glasses from different metallic systems were studied in the light of the atomic packing density and bonding character. We found that the electronegativity mismatch (Δe{sup −}) between the host- and the major solute-elements provides a plausible explanation to the large variation observed for Poisson's ratio (ν) among metallic glasses (MGs) (from 0.28 for Fe-based to 0.43 for Pd-based MGs), notwithstanding a similar atomic packing efficiency (C{sub g}). Besides, it is found that ductile MGs correspond to Δe{sup −} smaller than 0.5 and to a relatively steep atomic potential well. Ductility is, thus, favored in MGs exhibiting a weak bond directionality on average and opposing a strong resistance to volume change.

  4. Carleman estimates and unique continuation property for the anisotropic differential-operator equations

    Institute of Scientific and Technical Information of China (English)

    Veli; B; SHAKHMUROV

    2008-01-01

    The unique continuation theorems for the anisotropic partial differential-operator equations with variable coeffcients in Banach-valued Lp-spaces are studied.To obtain the uniform maximal regularity and the Carleman type estimates for parameter depended differential-operator equations,the suffcient conditions are founded.By using these facts,the unique continuation properties are established.In the application part,the unique continuation properties and Carleman estimates for finite or infinite systems of quasielliptic partial differential equations are studied.

  5. Elastic properties, strength and damage tolerance of pultruded composites

    Science.gov (United States)

    Saha, Mrinal Chandra

    Pultruded composites are candidate materials for civil engineering infrastructural applications due their higher corrosion resistance and lower life cycle cost. Efficient use of materials like structural members requires thorough understanding of the mechanism that affects their response. The present investigation addresses the modeling and characterization of E-glass fiber/polyester resin matrix pultruded composites in the form of sheets of various thicknesses. The elastic constants were measured using static, vibration and ultrasonic methods. Two types of piezoelectric crystals were used in ultrasonic measurements. Finally, the feasibility of using a single specimen, in the form of a circular disk, was shown in measuring all the elastic constants using ultrasonic technique. The effects of stress gradient on tensile strength were investigated. A large number of specimens, parallel and transverse to the pultrusion direction, were tested in tension, 3-point flexure, and 4-point flexure. A 2-parameter Weibull model was applied to predict the tensile strength from the flexure tests. The measured and Weibull-predicted ratios did not show consistent agreement. Microstructural observations suggested that the flaw distribution in the material was not uniform, which appears to be a basic requirement for the Weibull distribution. Compressive properties were measured using a short-block compression test specimen of 44.4-mm long and 25.4-mm wide. Specimens were tested at 0°, 30°, 45°, 60° and 90° orientations. The compression test specimen was modeled using 4-noded isoparametric layered plate and shell elements. The predicted elastic properties for the roving layer and the continuous strand mat layer was used for the finite element study. The damage resistance and damage tolerance were investigated experimentally. Using a quasi-static indentation loading, damage was induced at various incrementally increased force levels to investigate the damage growth process. Damage

  6. A thermomechanical anisotropic model for shock loading of elastic-plastic and elastic-viscoplastic materials with application to jointed rock

    Science.gov (United States)

    Rubin, M. B.; Vorobiev, O.; Vitali, E.

    2016-07-01

    A large deformation thermomechanical model is developed for shock loading of a material that can exhibit elastic and inelastic anisotropy. Use is made of evolution equations for a triad of microstructural vectors mathbf{m}i (hbox {i}=1,2,3) which model elastic deformations and directions of anisotropy. Specific constitutive equations are presented for a material with orthotropic elastic response. The rate of inelasticity depends on an orthotropic yield function that can be used to model weak fault planes with failure in shear and which exhibits a smooth transition to isotropic response at high compression. Moreover, a robust, strongly objective numerical algorithm is proposed for both rate-independent and rate-dependent response. The predictions of the continuum model are examined by comparison with exact steady-state solutions. Also, the constitutive equations are used to obtain a simplified continuum model of jointed rock which is compared with high fidelity numerical solutions that model a persistent system of joints explicitly in the rock medium.

  7. A comprehensive survey of M(2)AX phase elastic properties.

    Science.gov (United States)

    Cover, M F; Warschkow, O; Bilek, M M M; McKenzie, D R

    2009-07-29

    M(2)AX phases are a family of nanolaminate, ternary alloys that are composed of slabs of transition metal carbide or nitride (M(2)X) separated by single atomic layers of a main group element. In this combination, they manifest many of the beneficial properties of both ceramic and metallic compounds, making them attractive for many technological applications. We report here the results of a large scale computational survey of the elastic properties of all 240 elemental combinations using first-principles density functional theory calculations. We found correlations revealing the governing role of the A element and its interaction with the M element on the c axis compressibility and shearability of the material. The role of the X element is relatively minor, with the strongest effect seen in the in-plane constants C(11) and C(12). We identify several elemental compositions with extremal properties such as W(2)SnC, which has by far the lowest value of C(44), suggesting potential applications as a high-temperature dry lubricant.

  8. Helfrich model of membrane bending: from Gibbs theory of liquid interfaces to membranes as thick anisotropic elastic layers.

    Science.gov (United States)

    Campelo, Felix; Arnarez, Clement; Marrink, Siewert J; Kozlov, Michael M

    2014-06-01

    Helfrich model of membrane bending elasticity has been most influential in establishment and development of Soft-Matter Physics of lipid bilayers and biological membranes. Recently, Helfrich theory has been extensively used in Cell Biology to understand the phenomena of shaping, fusion and fission of cellular membranes. The general background of Helfrich theory on the one hand, and the ways of specifying the model parameters on the other, are important for quantitative treatment of particular biologically relevant membrane phenomena. Here we present the origin of Helfrich model within the context of the general Gibbs theory of capillary interfaces, and review the strategies of computing the membrane elastic moduli based on considering a lipid monolayer as a three-dimensional thick layer characterized by trans-monolayer profiles of elastic parameters. We present the results of original computations of these profiles by a state-of-the-art numerical approach.

  9. Monte Carlo inversion of ultrasonic array data to map anisotropic weld properties.

    Science.gov (United States)

    Zhang, Jie; Hunter, Alan; Drinkwater, Bruce W; Wilcox, Paul D

    2012-11-01

    The quality of an ultrasonic array image depends on accurate information about its acoustic properties. Inaccurate acoustic properties can cause image degradation such as blurring, mislocation of reflectors, and the introduction of artifacts. In this paper, for the specific case of an inhomogeneous and anisotropic austenitic steel weld, Monte Carlo Markov Chain (MCMC) inversion is used to estimate unknown acoustic properties from array data. The approach uses active beacons that transmit ultrasound through the anisotropic weld; the ultrasound is then captured by a receiving array. A forward model of the ultrasonic array data is then optimized with respect to the experimental data using an MCMC inversion. The result of this process is the extraction of a material property map that describes the anisotropy distribution within the weld region. These extracted material properties are then used within an imaging algorithm-the total focusing method in this paper-to produce autofocused images. This MCMC inversion approach is first applied to simulated data to test the convergence, robustness, and accuracy of the method and its implementation. The extracted weld map is used to show improved imaging of defects within the weld, relative to an image formed assuming a constant velocity. Finally, the MCMC inversion approach is used on experimental data from a 110-mm-thick steel plate containing an austenitic weld. Here the extracted weld map is used to show that defect location errors of greater than 5 mm are reduced to around 2 mm when the extracted weld map is used.

  10. Analysis on the anisotropic electromechanical properties of lead magnoniobate titanate single crystal for ring type ultrasonic motors

    Directory of Open Access Journals (Sweden)

    Xiang Shi

    2016-11-01

    Full Text Available This work discussed the optimized cut of single crystal lead magnoniobate titanate (PMNT for use of ring type travelling wave ultrasonic motors (USMs, according to anisotropic analysis on electromechanical properties. The selection criterion of crystal orientation relies on the circular uniformity of the induced travelling wave amplitude on the stator surface. By calculating the equivalent elastic coefficient c11 and lateral piezoelectric constant d31, the optimal crystal orientations were proposed for PMNT single crystals poled along different directions. For single crystal poled along c directions, the optimal orientation lies along [001]c with d31=-1335pC/N and k31=0.87. The crystallographic orientation [025]c is the optimized orientation for single crystals poled along c direction with d31=199pC/N and k31=0.55. The optimal orientation of 1R configuration is [332¯]c with a large enhancement of d31 = 1201 and k31=0.92.

  11. Analysis on the anisotropic electromechanical properties of lead magnoniobate titanate single crystal for ring type ultrasonic motors

    Science.gov (United States)

    Shi, Xiang; Huang, Wenbin; Li, Fei; Li, Zhenrong; Xu, Zhuo; Jiang, Xiaoning; Wei, Xiaoyong

    2016-11-01

    This work discussed the optimized cut of single crystal lead magnoniobate titanate (PMNT) for use of ring type travelling wave ultrasonic motors (USMs), according to anisotropic analysis on electromechanical properties. The selection criterion of crystal orientation relies on the circular uniformity of the induced travelling wave amplitude on the stator surface. By calculating the equivalent elastic coefficient c11 and lateral piezoelectric constant d31, the optimal crystal orientations were proposed for PMNT single crystals poled along different directions. For single crystal poled along c directions, the optimal orientation lies along [001]c with d31=-1335pC/N and k31=0.87. The crystallographic orientation [025]c is the optimized orientation for single crystals poled along c direction with d31=199pC/N and k31=0.55. The optimal orientation of 1R configuration is [332 ¯ ] c with a large enhancement of d31 = 1201 and k31=0.92.

  12. Modeling of the wave transmission properties of large arteries using nonlinear elastic tubes.

    Science.gov (United States)

    Pythoud, F; Stergiopulos, N; Meister, J J

    1994-11-01

    We propose a new, simple way of constructing elastic tubes which can be used to model the nonlinear elastic properties of large arteries. The tube models are constructed from a silicon elastomer (Sylgard 184, Dow Corning), which exhibits a nonlinear behavior with increased stiffness at high strains. Tests conducted on different tube models showed that, with the proper choice of geometric parameters, the elastic properties, in terms of area-pressure relation and compliance, can be similar to that of real arteries.

  13. Structural phase transition and elastic properties of thorium pnictides at high pressure

    Indian Academy of Sciences (India)

    Kuldeep Kholiya; B R K Gupta

    2007-04-01

    In the present paper we have pointed out the weaknesses of the approach by Aynyas et al [1] to study the structural phase transition and elastic properties of thorium pnictides. The calculated values of phase transition pressure and other elastic properties using the realistic and actual approach are also given and compared with the experimental and previous theoretical work.

  14. Modeling the Elastic Properties of Lipid Bilayer Membranes

    Science.gov (United States)

    Barry, Edward; Gibaud, Thomas; Zakhary, Mark; Dogic, Zvonimir

    2011-03-01

    Model membranes such as lipid bilayers have been indispensable tools for our understanding of the elastic properties of biological membranes. In this talk, I will introduce a colloidal model for membranes and demonstrate that the physical properties of these colloidal membranes are identical to lipid bilayers. The model system is unique in that the constituent molecules are homogenous and non-amphiphilic, yet their self-assembly into membranes and other hierarchical assemblages, such as a lamellar type phases and chiral ribbons, proceeds spontaneously in solution. Owing to the large size of the constituent molecules, individual molecules can be directly visualized and simultaneous observations at the continuum and molecular lengthscales are used to characterize the behavior of model membranes with unprecedented detail. Moreover, once assembled in solution, molecular interactions can be controlled in situ. In particular, the strength of chiral interactions can be varied, leading to fascinating transitions in behavior that resembles the formation of starfish vesicles. These observations point towards the important role of line tension, and have potential implications for phase separated lipid mixtures or lipid rafts.

  15. Nonuniform elastic properties of macromolecules and effect of prestrain on their continuum nature.

    Science.gov (United States)

    Aggarwal, Ankush; May, Eric R; Brooks, Charles L; Klug, William S

    2016-01-01

    Many experimental and theoretical methods have been developed to calculate the coarse-grained continuum elastic properties of macromolecules. However, all of those methods assume uniform elastic properties. Following the continuum mechanics framework, we present a systematic way of calculating the nonuniform effective elastic properties from atomic thermal fluctuations obtained from molecular dynamics simulation at any coarse-grained scale using a potential of the mean-force approach. We present the results for a mutant of Sesbania mosaic virus capsid, where we calculate the elastic moduli at different scales and observe an apparent problem with the chosen reference configuration in some cases. We present a possible explanation using an elastic network model, where inducing random prestrain results in a similar behavior. This phenomenon provides a novel insight into the continuum nature of macromolecules and defines the limits on details that the elasticity theory can capture. Further investigation into prestrains could elucidate important aspects of conformational dynamics of macromolecules.

  16. Anisotropic dielectric properties of two-dimensional matrix in pseudo-spin ferroelectric system

    Science.gov (United States)

    Kim, Se-Hun

    2016-10-01

    The anisotropic dielectric properties of a two-dimensional (2D) ferroelectric system were studied using the statistical calculation of the pseudo-spin Ising Hamiltonian model. It is necessary to delay the time for measurements of the observable and the independence of the new spin configuration under Monte Carlo sampling, in which the thermal equilibrium state depends on the temperature and size of the system. The autocorrelation time constants of the normalized relaxation function were determined by taking temperature and 2D lattice size into account. We discuss the dielectric constants of a two-dimensional ferroelectric system by using the Metropolis method in view of the Slater-Takagi defect energies.

  17. Elastic and transport properties in polycrystals of crackedgrains: Cross-property relations and microstructure

    Energy Technology Data Exchange (ETDEWEB)

    Berryman, J.G.

    2007-10-02

    Some arguments of Bristow (1960) concerning the effects of cracks on elastic and transport (i.e., electrical or thermal conduction) properties of cold-worked metals are reexamined. The discussion is posed in terms of a modern understanding of bounds and estimates for physical properties of polycrystals--in contrast to Bristow's approach using simple mixture theory. One type of specialized result emphasized here is the cross-property estimates and bounds that can be obtained using the methods presented. Our results ultimately agree with those of Bristow, i.e., confirming that microcracking is not likely to be the main cause of the observed elastic behavior of cold-worked metals. However, it also becomes clear that the mixture theory approach to the analysis is too simple and that crack-crack interactions are necessary for proper quantitative study of Bristow's problem.

  18. Self-Assembled Magnetic Metallic Nanopillars in Ceramic Matrix with Anisotropic Magnetic and Electrical Transport Properties.

    Science.gov (United States)

    Su, Qing; Zhang, Wenrui; Lu, Ping; Fang, Shumin; Khatkhatay, Fauzia; Jian, Jie; Li, Leigang; Chen, Fanglin; Zhang, Xinghang; MacManus-Driscoll, Judith L; Chen, Aiping; Jia, Quanxi; Wang, Haiyan

    2016-08-10

    Ordered arrays of metallic nanopillars embedded in a ceramic matrix have recently attracted considerable interest for their multifunctionality in advanced devices. A number of hurdles need to be overcome for achieving practical devices, including selections of metal-ceramic combination, creation of tunable and ordered structure, and control of strain state. In this article, we demonstrate major advances to create such a fine nanoscale structure, i.e., epitaxial self-assembled vertically aligned metal-ceramic composite, in one-step growth using pulsed laser deposition. Tunable diameter and spacing of the nanopillars can be achieved by controlling the growth parameters such as deposition temperature. The magnetic metal-ceramic composite thin films demonstrate uniaxial anisotropic magnetic properties and enhanced coercivity compared to that of bulk metal. The system also presents unique anisotropic electrical transport properties under in-plane and out-of-plane directions. This work paves a new avenue to fabricate epitaxial metal-ceramic nanocomposites, which can simulate broader future explorations in nanocomposites with novel magnetic, optical, electrical, and catalytical properties.

  19. Structural, elastic and electronic properties of C14-type Al2M (M=Mg, Ca, Sr and Ba) Laves phases

    Science.gov (United States)

    Lishi, Ma; Yonghua, Duan; Runyue, Li

    2017-02-01

    The structural and mechanical properties, Debye temperatures and anisotropic sound velocities of the Laves phases Al2M (M=Mg, Ca, Sr and Ba) with C14-type structure were investigated using the first-principles corresponding calculations. The corresponding calculated structural parameters and formation enthalpies are in good agreement with the available theoretical values, and Al2Ca has the best phase stability. The mechanical properties, including elastic constants, bulk modulus B, shear modulus G, Young's modulus E, and Poisson ratio ν, were deduced within the Voigt-Reuss-Hill approximation. The brittleness and ductility were estimated by the values of Poisson ratio, B/G and Cauchy pressure. Moreover, the elastic anisotropy was investigated by calculating and discussing several anisotropy indexes. Finally, the electronic structures were used to illustrate the bonding characteristics of C14-Al2M (M=Mg, Ca, Sr and Ba) phases.

  20. Structural, elastic and electronic properties of C14-type Al{sub 2}M (M=Mg, Ca, Sr and Ba) Laves phases

    Energy Technology Data Exchange (ETDEWEB)

    Lishi, Ma; Yonghua, Duan, E-mail: duanyh@kmust.edu.cn; Runyue, Li

    2017-02-15

    The structural and mechanical properties, Debye temperatures and anisotropic sound velocities of the Laves phases Al{sub 2}M (M=Mg, Ca, Sr and Ba) with C14-type structure were investigated using the first-principles corresponding calculations. The corresponding calculated structural parameters and formation enthalpies are in good agreement with the available theoretical values, and Al{sub 2}Ca has the best phase stability. The mechanical properties, including elastic constants, bulk modulus B, shear modulus G, Young’s modulus E, and Poisson ratio ν, were deduced within the Voigt-Reuss-Hill approximation. The brittleness and ductility were estimated by the values of Poisson ratio, B/G and Cauchy pressure. Moreover, the elastic anisotropy was investigated by calculating and discussing several anisotropy indexes. Finally, the electronic structures were used to illustrate the bonding characteristics of C14-Al{sub 2}M (M=Mg, Ca, Sr and Ba) phases.

  1. Anisotropic thermoelectric properties in layered complex nitrides with α-NaFeO2-type structure

    Directory of Open Access Journals (Sweden)

    Isao Ohkubo

    2016-10-01

    Full Text Available Electronic structures and thermoelectric transport properties of α-NaFeO2-type d0-electron layered complex nitrides AMN2 (A = Sr or Na; M = Zr, Hf, Nb, Ta were evaluated using density-functional theory and Boltzmann theory calculations. Despite the layered crystal structure, all materials had three-dimensional electronic structures. Sr(Zr, HfN2 exhibited isotropic electronic transport properties because of the contribution of the Sr 4d orbitals to the conduction band minimums (CBMs in addition to that of the Zr 4d (Hf 5d orbitals. Na(Nb,TaN2 showed weak anisotropic electronic transport properties due to the main contribution of the Nb 4d (Ta 5d and N 2p orbitals to the CBMs and no contribution of the Na orbitals.

  2. Anisotropic thermoelectric properties in layered complex nitrides with α-NaFeO2-type structure

    Science.gov (United States)

    Ohkubo, Isao; Mori, Takao

    2016-10-01

    Electronic structures and thermoelectric transport properties of α-NaFeO2-type d0-electron layered complex nitrides AMN2 (A = Sr or Na; M = Zr, Hf, Nb, Ta) were evaluated using density-functional theory and Boltzmann theory calculations. Despite the layered crystal structure, all materials had three-dimensional electronic structures. Sr(Zr, Hf)N2 exhibited isotropic electronic transport properties because of the contribution of the Sr 4d orbitals to the conduction band minimums (CBMs) in addition to that of the Zr 4d (Hf 5d) orbitals. Na(Nb,Ta)N2 showed weak anisotropic electronic transport properties due to the main contribution of the Nb 4d (Ta 5d) and N 2p orbitals to the CBMs and no contribution of the Na orbitals.

  3. Microstructure, elastic and electromagnetic properties of epoxy-graphite composites

    Science.gov (United States)

    Bellucci, S.; Micciulla, F.; Levin, V. M.; Petronyuk, Yu. S.; Chernozatonskii, L. A.; Kuzhir, P. P.; Paddubskaya, A. G.; Macutkevic, J.; Pletnev, M. A.; Fierro, V.; Celzard, A.

    2015-06-01

    A set of epoxy resin-based composites filled with 0.25 - 2.0 wt.% of commercially available exfoliated graphite (EG) and thick graphene (TG), prepared by suspending EG particles in cyclohexane, and submitting the suspension to a series of grinding and ultrasonic dispersion steps, was produced. The microstructure of such epoxy-graphite composites has been studied by the impulse acoustic microscopy technique. According to acoustic microscopy data, exfoliated graphite microparticles have been well dispersed in the epoxy matrix. TG nanoflakes demonstrated persistent tendency to clustering and formation of agglomerates. The addition of graphite particles in small amount (0.25 - 2.0 wt.%) did not influence the bulk elastic properties of epoxy-graphite composite materials. Being extremely lightweight, 0.003 g cm-3, EG had a lower percolation threshold than TG, at the level of 1-1.5 wt.% against 2.1-3.2 wt.%, respectively. As a result, epoxy composites filled with 1.0-2.0 wt.% EG provided high electromagnetic (EM) interference shielding both at microwave and THz frequencies. In contrast, no significant influence of TG loading was observed at low weight fraction (up to 2 wt.%) on the EM performance of epoxy composites.

  4. Microstructure, elastic and electromagnetic properties of epoxy-graphite composites

    Directory of Open Access Journals (Sweden)

    S. Bellucci

    2015-06-01

    Full Text Available A set of epoxy resin-based composites filled with 0.25 – 2.0 wt.% of commercially available exfoliated graphite (EG and thick graphene (TG, prepared by suspending EG particles in cyclohexane, and submitting the suspension to a series of grinding and ultrasonic dispersion steps, was produced. The microstructure of such epoxy-graphite composites has been studied by the impulse acoustic microscopy technique. According to acoustic microscopy data, exfoliated graphite microparticles have been well dispersed in the epoxy matrix. TG nanoflakes demonstrated persistent tendency to clustering and formation of agglomerates. The addition of graphite particles in small amount (0.25 – 2.0 wt.% did not influence the bulk elastic properties of epoxy-graphite composite materials. Being extremely lightweight, 0.003 g cm−3, EG had a lower percolation threshold than TG, at the level of 1-1.5 wt.% against 2.1-3.2 wt.%, respectively. As a result, epoxy composites filled with 1.0-2.0 wt.% EG provided high electromagnetic (EM interference shielding both at microwave and THz frequencies. In contrast, no significant influence of TG loading was observed at low weight fraction (up to 2 wt.% on the EM performance of epoxy composites.

  5. Elastic Properties of the Annular Ligament of the Human Stapes—AFM Measurement

    OpenAIRE

    Kwacz, Monika; Rymuza, Zygmunt; Michałowski, Marcin; Wysocki, Jarosław

    2015-01-01

    Elastic properties of the human stapes annular ligament were determined in the physiological range of the ligament deflection using atomic force microscopy and temporal bone specimens. The annular ligament stiffness was determined based on the experimental load-deflection curves. The elastic modulus (Young’s modulus) for a simplified geometry was calculated using the Kirchhoff–Love theory for thin plates. The results obtained in this study showed that the annular ligament is a linear elastic ...

  6. High temperature and pressure effects on the elastic properties of B2 intermetallics AgRE

    OpenAIRE

    Liu Lili; Wu Xiaozhi; Li Weiguo; Wang Rui; Liu Qing

    2015-01-01

    The high temperature and pressure effects on the elastic properties of the AgRE (RE=Sc, Tm, Er, Dy, Tb) intermetallic compounds with B2 structure have been performed from first principle calculations. For the temperature range 0-1000 K, the second order elastic constants for all the AgRE intermetallic compounds follow a normal behavior: they decrease with increasing temperature. The pressure dependence of the second order elastic constants has been investigated on the ...

  7. Hyper-elastic properties of the human sternocleidomastoideus muscle in tension

    OpenAIRE

    Gras, Laure-Lise; MITTON, David; VIOT, Philippe; Laporte, Sébastien

    2012-01-01

    Numerical models of the human body require realistic mechanical properties of the muscles as input, but, generally, such data are available only for animals’ muscles. As a consequence, the aim of this study was to identify the hyper-elastic behavior of the human sternocleidomastoideus muscle in tension using different constitutive laws. Ten sternocleidomastoideus muscles were tested in vitro. The hyper-elastic behavior was modeled with an exponential law and a hyper-elastic constitutive...

  8. Nanostructured SnS with inherent anisotropic optical properties for high photoactivity

    Science.gov (United States)

    Patel, Malkeshkumar; Chavda, Arvind; Mukhopadhyay, Indrajit; Kim, Joondong; Ray, Abhijit

    2016-01-01

    In view of the worldwide energy challenge in the 21st century, the technology of semiconductor-based photoelectrochemical (PEC) water splitting has received considerable attention as an alternative approach for solar energy harvesting and storage. Two-dimensional (2D) structures such as nanosheets have the potential to tap the solar energy by unlocking the functional properties at the nanoscale. Tin(ii) sulfide is a fascinating solar energy material due to its anisotropic material properties. In this manuscript, we report on exploiting the 2D structure modulated optical properties of nanocrystalline SnS thin film synthesized by chemical spray pyrolysis using ambient transport in the harvesting of solar energy. We obtained the nanostructured SnS with well-preserved dimensions and morphologies with one step processing. The work demonstrates that the intrinsically ordered SnS nanostructure on FTO coated glass can tap the incident radiation in an efficient manner. The structure-property relationship to explain the photo-response in nanocrystalline-SnS is verified experimentally and theoretically. The novel design scheme for antireflection coating along with the anisotropic properties of SnS is conceived for realizing a PEC cell. The developed PEC cell consists of a SnS photoanode which shows considerably high photocurrent density of 7 mA cm-2 with aqueous media under AM 1.5G, 100 mW cm-2 exposure with notably stable operation. Electrochemical impedance spectroscopy revealed that a non-ideal capacitive behavior as well as drift assisted transport across the solid-state interface is responsible for such a high photo-current density in the nanocrystalline-SnS photoanode.In view of the worldwide energy challenge in the 21st century, the technology of semiconductor-based photoelectrochemical (PEC) water splitting has received considerable attention as an alternative approach for solar energy harvesting and storage. Two-dimensional (2D) structures such as nanosheets have the

  9. Structural, electronic and elastic properties of KCaF{sub 3} and RbCaF{sub 3} for vacuum-ultraviolet-transparent lens materials

    Energy Technology Data Exchange (ETDEWEB)

    Babu, K. Ephraim; Murali, N.; Babu, K. Vijaya; Veeraiah, V., E-mail: v-veeraiah@yahoo.co.in [Modelling and Simulation in Materials Science Laboratory, Department of Physics, Andhra University, Visakhapatnam-530 003 (India); Babu, B. Kishore [Department of Engineering Chemistry, AUCE(A), Andhra University, Visakhapatnam-530003 (India)

    2015-05-15

    The first principles calculation within the full potential linearized augmented plane wave (FP-LAPW) method is applied to study the structural, electronic and elastic properties of cubic perovskite-type compounds KCaF{sub 3} and RbCaF{sub 3}. The exchange correlation effects are included through the LDA, GGA and modified Becke-Johnson (mBJ) exchange potential. The calculated structural properties such as equilibrium lattice constant, the bulk modulus and its pressure derivative are in good agreement with the available data. KCaF{sub 3} and RbCaF{sub 3} have wide and indirect band gaps and they agree with experimental values. The elastic properties such as elastic constants, anisotropy factor, shear modulus, Young’s modulus and Poisson’s ratio are obtained for the first time. KCaF{sub 3} and RbCaF{sub 3} are elastically anisotropic and the B/G ratio indicate that these are ductile materials.

  10. Effective Heat and Mass Transport Properties of Anisotropic Porous Ceria for Solar Thermochemical Fuel Generation

    Directory of Open Access Journals (Sweden)

    Sophia Haussener

    2012-01-01

    Full Text Available High-resolution X-ray computed tomography is employed to obtain the exact 3D geometrical configuration of porous anisotropic ceria applied in solar-driven thermochemical cycles for splitting H2O and CO2. The tomography data are, in turn, used in direct pore-level numerical simulations for determining the morphological and effective heat/mass transport properties of porous ceria, namely: porosity, specific surface area, pore size distribution, extinction coefficient, thermal conductivity, convective heat transfer coefficient, permeability, Dupuit-Forchheimer coefficient, and tortuosity and residence time distributions. Tailored foam designs for enhanced transport properties are examined by means of adjusting morphologies of artificial ceria samples composed of bimodal distributed overlapping transparent spheres in an opaque medium.

  11. Effective Heat and Mass Transport Properties of Anisotropic Porous Ceria for Solar Thermochemical Fuel Generation.

    Science.gov (United States)

    Haussener, Sophia; Steinfeld, Aldo

    2012-01-19

    High-resolution X-ray computed tomography is employed to obtain the exact 3D geometrical configuration of porous anisotropic ceria applied in solar-driven thermochemical cycles for splitting H2O and CO2. The tomography data are, in turn, used in direct pore-level numerical simulations for determining the morphological and effective heat/mass transport properties of porous ceria, namely: porosity, specific surface area, pore size distribution, extinction coefficient, thermal conductivity, convective heat transfer coefficient, permeability, Dupuit-Forchheimer coefficient, and tortuosity and residence time distributions. Tailored foam designs for enhanced transport properties are examined by means of adjusting morphologies of artificial ceria samples composed of bimodal distributed overlapping transparent spheres in an opaque medium.

  12. Effects of spark plasma sintering conditions on the anisotropic thermoelectric properties of bismuth antimony telluride

    DEFF Research Database (Denmark)

    Han, Li; Hegelund Spangsdorf, Steeven; Van Nong, Ngo

    2016-01-01

    Bismuth antimony telluride (BixSb2-xTe3, 0.4 Sb1.6Te3 samples were prepared under various conditions (temperature, holding time, and ramp......-rate) using spark plasma sintering (SPS). The effects of SPS conditions on the anisotropic thermoelectric properties and microstructure evolutions were systematically investigated. The change of sintering temperature showed stronger influence than other sintering parameters to the resulting thermoelectric...... properties. Samples sintered over the temperature range between 653 K and 773 K showed significant differences in the degrees of orientations. The change was mainly caused by grain growth and re-orientation. Despite of the anisotropy, zT value as high as 1.2 to 1.3 was achieved over the temperature range...

  13. 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...

  14. The mechanical properties of the rubber elastic polymer polydimethylsiloxane for sensor applications

    NARCIS (Netherlands)

    Lotters, J.C.; Olthuis, W.; Veltink, P.H.; Bergveld, P.

    1997-01-01

    Polydimethylsiloxane (PDMS) is a commercially available physically and chemically stable silicone rubber. It has a unique flexibility with a shear elastic modulus due to one of the lowest glass transition temperatures of any polymer . Further properties of PDMS are a low change in the shear elastic

  15. Effect of Coulomb interactions and Hartree-Fock exchange on structural, elastic, optoelectronic and magnetic properties of Co{sub 2}MnSi Heusler: A comparative study

    Energy Technology Data Exchange (ETDEWEB)

    Lantri, T. [Laboratory of Technology and Solid’s Properties, Faculty of Sciences and Technology, Abdelhamid Ibn Badis University, BP 227, Mostaganem 27000 (Algeria); Bentata, S., E-mail: sam_bentata@yahoo.com [Laboratory of Technology and Solid’s Properties, Faculty of Sciences and Technology, Abdelhamid Ibn Badis University, BP 227, Mostaganem 27000 (Algeria); Bouadjemi, B.; Benstaali, W. [Laboratory of Technology and Solid’s Properties, Faculty of Sciences and Technology, Abdelhamid Ibn Badis University, BP 227, Mostaganem 27000 (Algeria); Bouhafs, B. [Modelling and Simulation in Materials Science Laboratory, Djillali Liabès University of Sidi Bel-Abbès, 22000 Sidi Bel-Abbes (Algeria); Abbad, A. [Laboratory of Technology and Solid’s Properties, Faculty of Sciences and Technology, Abdelhamid Ibn Badis University, BP 227, Mostaganem 27000 (Algeria); Modelling and Simulation in Materials Science Laboratory, Djillali Liabès University of Sidi Bel-Abbès, 22000 Sidi Bel-Abbes (Algeria); Zitouni, A. [Laboratory of Technology and Solid’s Properties, Faculty of Sciences and Technology, Abdelhamid Ibn Badis University, BP 227, Mostaganem 27000 (Algeria)

    2016-12-01

    Using the first-principle calculations, we have investigated the structural, elastic, optoelectronic and magnetic properties of Co{sub 2}MnSi Heusler alloy. Based on the density functional theory (DFT) and hiring the full-potential linearized augmented plane wave (FP-LAPW) method, we have used five approaches: the Hybrid on-site exact exchange, the Local Spin Density Approximation (LSDA), the LSDA+U, the Generalized Gradient Approximation GGA and GGA+U; where the Hubbard on-site Coulomb interaction correction U is calculated by constraint local density approximation for Co and Mn atoms. Our results show that the highly-ordered Co{sub 2}MnSi alloy is a ductile, stiff and anisotropic material. It has a half-metallic ferromagnetic character with an integer magnetic moment of 5 µB which is in good agreement with the Slater-Pauling rule. - Highlights: • Each approach gives a half magnetic compound. • EECE gives the largest gap. • Elastic properties show a stiff, ductile and anisotropic material. • Electronic properties are similar for the five approaches. • Total magnetic moment is the same for the five approaches (5 µB).

  16. Propagation Characteristics of Laser-Generated Rayleigh Waves in Coating-Substrate Structures with Anisotropic and Viscoelastic Properties

    Science.gov (United States)

    Sun, Hong-xiang; Zhang, Shu-yi; Xia, Jian-ping

    2015-06-01

    The propagation characteristics of laser-generated Rayleigh waves in coating-substrate structures with anisotropic and viscoelastic properties have been investigated quantitatively. Based on the plane strain theory, finite element models for simulating laser-generated Rayleigh waves in coating-substrate structures are established, in which the carbon fiber-reinforced epoxy matrix composite and aluminum are used as the coating and/or the substrate alternately. The numerical results exhibit that the characteristics of the laser-generated Rayleigh waves, including attenuation, velocity, and dispersion, are mainly and closely related to the anisotropic and viscoelastic properties of the composite in the coating-substrate structures.

  17. Anisotropic superconducting property studies of single crystal PbTaSe2

    Science.gov (United States)

    Sankar, Raman; Narsinga Rao, G.; Panneer Muthuselvam, I.; Chang, Tay-Rong; Jeng, H. T.; Senthil Murugan, G.; Lee, Wei-Li; Chou, F. C.

    2017-03-01

    The anisotropic superconducting properties of PbTaSe2 single crystal is reported. Superconductivity with T c  =  3.83  ±  0.02 K has been characterized fully with electrical resistivity ρ(T), magnetic susceptibility χ(T), and specific heat C p (T) measurements using single crystal samples. The superconductivity is type-II with lower critical field H c1 and upper critical field H c2 of 65 and 450 Oe (H⊥  to the ab-plane), 140 and 1500 Oe (H|| to the ab-plane), respectively. These results indicate that the superconductivity of PbTaSe2 is anisotropic. The superconducting anisotropy, electron-phonon coupling λ ep, superconducting energy gap Δ0, and the specific heat jump ΔC/γT c at T c confirms that PbTaSe2 can be categorized as a bulk superconductor.

  18. Optimum condition of anisotropic plasma etching for improving bending properties of ionic polymer-metal composites.

    Science.gov (United States)

    Choi, N J; Lee, H K; Jung, S; Park, K H

    2010-05-01

    We presented an anisotropic plasma etching technique by reactive ion etcher (RIE) as a new pretreatment method of fabrication of ionic polymer-metal composite (IPMC). We already found that the new technique provided large displacement to the fabricated IPMC in the presence of low applied voltage. However, we did not examine the optimum condition for the anisotropic plasma etching. In this research, we tried to figure out optimum treatment condition of film in etcher. Nafion (by DuPont) films were etched using various etching time and shadow masks with various slit and space sizes. The etched samples were plated with Pt at top and bottom side by Oguro's reduction method. The surface morphology of fabricated IPMCs was characterized by SEM. And, we've measured surface resistance, bending displacement, and driving force in order to check the IPMC properties out. Here, we found that optimum condition for pre-treatment of Nafion was 1 min for etching time under shadow mask with 200 microm slit and 100 microm space.

  19. Anisotropic superconducting property studies of single crystal PbTaSe2.

    Science.gov (United States)

    Sankar, Raman; Rao, G Narsinga; Muthuselvam, I Panneer; Chang, Tay-Rong; Jeng, H T; Murugan, G Senthil; Lee, Wei-Li; Chou, F C

    2017-03-08

    The anisotropic superconducting properties of PbTaSe2 single crystal is reported. Superconductivity with T c  =  3.83  ±  0.02 K has been characterized fully with electrical resistivity ρ(T), magnetic susceptibility χ(T), and specific heat C p (T) measurements using single crystal samples. The superconductivity is type-II with lower critical field H c1 and upper critical field H c2 of 65 and 450 Oe (H⊥  to the ab-plane), 140 and 1500 Oe (H|| to the ab-plane), respectively. These results indicate that the superconductivity of PbTaSe2 is anisotropic. The superconducting anisotropy, electron-phonon coupling λ ep, superconducting energy gap Δ0, and the specific heat jump ΔC/γT c at T c confirms that PbTaSe2 can be categorized as a bulk superconductor.

  20. Effects of anisotropic thermal conduction on wind properties in hot accretion flow

    CERN Document Server

    Bu, De-Fu; Yuan, Ye-Fei

    2016-01-01

    Previous works have clearly shown the existence of winds from black hole hot accretion flow and investigated their detailed properties. In extremely low accretion rate systems, the collisional mean-free path of electrons is large compared with the length-scale of the system, thus thermal conduction is dynamically important. When the magnetic field is present, the thermal conduction is anisotropic and energy transport is along magnetic field lines. In this paper, we study the effects of anisotropic thermal conduction on the wind production in hot accretion flows by performing two-dimensional magnetohydrodynamic simulations. We find that thermal conduction has only moderate effects on the mass flux of wind. But the energy flux of wind can be increased by a factor of $\\sim 10$ due to the increase of wind velocity when thermal conduction is included. The increase of wind velocity is because of the increase of driving forces (e.g. gas pressure gradient force and centrifugal force) when thermal conduction is includ...

  1. Anisotropic linear and nonlinear optical properties from anisotropy-controlled metallic nanocomposites.

    Science.gov (United States)

    Reyes-Esqueda, Jorge Alejandro; Rodríguez-Iglesias, Vladimir; Silva-Pereyra, Héctor-Gabriel; Torres-Torres, Carlos; Santiago-Ramírez, Ana-Laura; Cheang-Wong, Juan Carlos; Crespo-Sosa, Alejandro; Rodríguez-Fernández, Luis; López-Suárez, Alejandra; Oliver, Alicia

    2009-07-20

    High-energy metallic ions were implanted in silica matrices, obtaining spherical-like metallic nanoparticles (NPs) after a proper thermal treatment. These NPs were then deformed by irradiation with Si ions, obtaining an anisotropic metallic nanocomposite. An average large birefringence of 0.06 was measured for these materials in the 300-800 nm region. Besides, their third order nonlinear optical response was measured using self-diffraction and P-scan techniques at 532 nm with 26 ps pulses. By adjusting the incident light's polarization and the angular position of the nanocomposite, the measurements could be directly related to, at least, two of the three linear independent components of its third order susceptibility tensor, finding a large, but anisotropic, response of around 10(-7) esu with respect to other isotropic metallic systems. For the nonlinear optical absorption, we were able to shift from saturable to reverse saturable absorption depending on probing the Au NP's major or minor axes, respectively. This fact could be related to local field calculations and NP's electronic properties. For the nonlinear optical refraction, we passed from self-focusing to self-defocusing, when changing from Ag to Au.

  2. Effect of anisotropic plasticity on mixed mode interface crack growth

    DEFF Research Database (Denmark)

    Tvergaard, Viggo; Legarth, Brian Nyvang

    2007-01-01

    different anisotropic yield criteria to account for the plastic anisotropy. Conditions of small-scale yielding are assumed, and due to the mismatch of elastic properties across the interface the corresponding oscillating stress singularity field is applied as boundary conditions on the outer edge...

  3. Structural, electronic, magnetic and elastic properties of tetragonal layered diselenide KCo{sub 2}Se{sub 2} from first principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Bannikov, V.V.; Shein, I.R. [Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 620990 Ekaterinburg (Russian Federation); Ivanovskii, A.L., E-mail: ivanovskii@ihim.uran.ru [Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 620990 Ekaterinburg (Russian Federation)

    2012-01-15

    The structural, elastic, magnetic and electronic properties of the layered tetragonal phase KCo{sub 2}Se{sub 2} have been examined in details by means of the first-principles calculations and analyzed in comparison with the isostructural KFe{sub 2}Se{sub 2} as the parent phase for the newest group of ternary superconducting iron-chalcogenide materials. Our data show that KCo{sub 2}Se{sub 2} should be characterized as a quasi-two-dimensional ferromagnetic metal with highly anisotropic inter-atomic bonding owing to mixed ionic, covalent, and metallic contributions inside [Co{sub 2}Se{sub 2}] blocks, and with ionic bonding between the adjacent [Co{sub 2}Se{sub 2}] blocks and K sheets. This material should behave in a brittle manner, adopt enhanced elastic anisotropy rather in compressibility than in shear, and should show very low hardness.

  4. High-pressure structural, elastic, and thermodynamic properties of zircon-type HoPO 4 and TmPO 4

    Energy Technology Data Exchange (ETDEWEB)

    Gomis, O.; Lavina, B.; Rodríguez-Hernández, P.; Muñoz, A.; Errandonea, R.; Errandonea, D.; Bettinelli, M.

    2017-01-20

    Zircon-type holmium phosphate (HoPO4) and thulium phosphate (TmPO4) have been studied by single-crystal x-ray diffraction and ab initio calculations. We report on the influence of pressure on the crystal structure, and on the elastic and thermodynamic properties. The equation of state for both compounds is accurately determined. We have also obtained information on the polyhedral compressibility which is used to explain the anisotropic axial compressibility and the bulk compressibility. Both compounds are ductile and more resistive to volume compression than to shear deformation at all pressures. Furthermore, the elastic anisotropy is enhanced upon compression. Finally, the calculations indicate that the possible causes that make the zircon structure unstable are mechanical instabilities and the softening of a silent B 1u mode.

  5. Probing anisotropic surface properties and interaction forces of chrysotile rods by atomic force microscopy and rheology.

    Science.gov (United States)

    Yang, Dingzheng; Xie, Lei; Bobicki, Erin; Xu, Zhenghe; Liu, Qingxia; Zeng, Hongbo

    2014-09-16

    Understanding the surface properties and interactions of nonspherical particles is of both fundamental and practical importance in the rheology of complex fluids in various engineering applications. In this work, natural chrysotile, a phyllosilicate composed of 1:1 stacked silica and brucite layers which coil into cylindrical structure, was chosen as a model rod-shaped particle. The interactions of chrysotile brucite-like basal or bilayered edge planes and a silicon nitride tip were measured using an atomic force microscope (AFM). The force-distance profiles were fitted using the classical Derjaguin-Landau-Verwey-Overbeek (DLVO) theory, which demonstrates anisotropic and pH-dependent surface charge properties of brucite-like basal plane and bilayered edge surface. The points of zero charge (PZC) of the basal and edge planes were estimated to be around pH 10-11 and 6-7, respectively. Rheology measurements of 7 vol % chrysotile (with an aspect ratio of 14.5) in 10 mM NaCl solution showed pH-dependent yield stress with a local maximum around pH 7-9, which falls between the two PZC values of the edge and basal planes of the rod particles. On the basis of the surface potentials of the edge and basal planes obtained from AFM measurements, theoretical analysis of the surface interactions of edge-edge, basal-edge, and basal-basal planes of the chrysotile rods suggests the yield stress maximum observed could be mainly attributed to the basal-edge attractions. Our results indicate that the anisotropic surface properties (e.g., charges) of chrysotile rods play an important role in the particle-particle interaction and rheological behavior, which also provides insight into the basic understanding of the colloidal interactions and rheology of nonspherical particles.

  6. The Effect of VMoS3 Point Defect on the Elastic Properties of Monolayer MoS2 with REBO Potentials.

    Science.gov (United States)

    Li, Minglin; Wan, Yaling; Tu, Liping; Yang, Yingchao; Lou, Jun

    2016-12-01

    Structural defects in monolayer molybdenum disulfide (MoS2) have significant influence on the electric, optical, thermal, chemical, and mechanical properties of the material. Among all the types of structural defects of the chemical vapor phase-grown monolayer MoS2, the VMoS3 point defect (a vacancy complex of Mo and three nearby S atoms) is another type of defect preferentially generated by the extended electron irradiation. Here, using the classical molecular dynamics simulation with reactive empirical bond-order (REBO) potential, we first investigate the effect of VMoS3 point defects on the elastic properties of monolayer MoS2 sheets. Under the constrained uniaxial tensile test, the elastic properties of monolayer MoS2 sheets containing VMoS3 vacancies with defect fraction varying from 0.01 to 0.1 are obtained based on the plane anisotropic constitutive relations of the material. It is found that the increase of VMoS3 vacancy concentration leads to the noticeable decrease in the elastic modulus but has a slight effect on Poisson's ratio. The maximum decrease of the elastic modulus is up to 25 %. Increasing the ambient temperature from 10 K to 500 K has trivial influences on the elastic modulus and Poisson's ratio for the monolayer MoS2 without defect and with 5 % VMoS3 vacancies. However, an anomalous parabolic relationship between the elastic modulus and the temperature is found in the monolayer MoS2 containing 0.1 % VMoS3 vacancy, bringing a crucial and fundamental issue to the application of monolayer MoS2 with defects.

  7. Elastic properties of Sierpinski-like carpets: finite-element-based simulation.

    Science.gov (United States)

    Oshmyan, V G; Patlazhan, S A; Timan, S A

    2001-11-01

    The elastic properties of two-dimensional continuous composites of fractal structures are studied with the set of Sierpinski-like carpets filled by voids or rigid inclusions. The effective elastic moduli of these carpets are calculated numerically using the finite-element and position-space renormalization group techniques. The fixed-point problem is analyzed by flow diagrams in the plane of the current Poisson ratios and coefficients of anisotropy of the composites. It is found that in the general case the effective elastic moduli asymptotically approach a power-law behavior. Moreover, the common exponent characterizes the scaling behavior of each component of the elastic modulus tensor of a definite carpet. The values of the scaling exponents and positions of the fixed points are shown to be independent of the elastic properties of the host and depend significantly on the fractal dimension of the composite.

  8. Elastic properties of Sierpinski-like carpets: Finite-element-based simulation

    Science.gov (United States)

    Oshmyan, V. G.; Patlazhan, S. A.; Timan, S. A.

    2001-11-01

    The elastic properties of two-dimensional continuous composites of fractal structures are studied with the set of Sierpinski-like carpets filled by voids or rigid inclusions. The effective elastic moduli of these carpets are calculated numerically using the finite-element and position-space renormalization group techniques. The fixed-point problem is analyzed by flow diagrams in the plane of the current Poisson ratios and coefficients of anisotropy of the composites. It is found that in the general case the effective elastic moduli asymptotically approach a power-law behavior. Moreover, the common exponent characterizes the scaling behavior of each component of the elastic modulus tensor of a definite carpet. The values of the scaling exponents and positions of the fixed points are shown to be independent of the elastic properties of the host and depend significantly on the fractal dimension of the composite.

  9. Tissue elasticity properties as biomarkers for prostate cancer.

    Science.gov (United States)

    Hoyt, Kenneth; Castaneda, Benjamin; Zhang, Man; Nigwekar, Priya; di Sant'agnese, P Anthony; Joseph, Jean V; Strang, John; Rubens, Deborah J; Parker, Kevin J

    2008-01-01

    In this paper we evaluate tissue elasticity as a longstanding but qualitative biomarker for prostate cancer and sonoelastography as an emerging imaging tool for providing qualitative and quantitative measurements of prostate tissue stiffness. A Kelvin-Voigt Fractional Derivative (KVFD) viscoelastic model was used to characterize mechanical stress relaxation data measured from human prostate tissue samples. Mechanical testing results revealed that the viscosity parameter for cancerous prostate tissue is greater than that derived from normal tissue by a factor of approximately 2.4. It was also determined that a significant difference exists between normal and cancerous prostate tissue stiffness (p cancer detection in prostate and may prove to be an effective adjunct imaging technique for biopsy guidance. Elasticity images obtained with quantitative sonoelastography agree with mechanical testing and histological results. Overall, results indicate tissue elasticity is a promising biomarker for prostate cancer.

  10. Elastic Properties of Liquid Surfaces Coated with Colloidal Particles

    Directory of Open Access Journals (Sweden)

    Edward Bormashenko

    2015-01-01

    Full Text Available The physical mechanism of elasticity of liquid surfaces coated with colloidal particles is proposed. It is suggested that particles are separated by water clearings and the capillary interaction between them is negligible. The case is treated when the colloidal layer is deformed normally to its surface. The elasticity arises as an interfacial effect. The effective Young modulus of a surface depends on the interfacial tension, equilibrium contact angle, radius of colloidal particles, and their surface density. For the nanometrically scaled particles the line tension becomes essential and has an influence on the effective Young modulus.

  11. Effect of Carbon Doping on the Electronic Structure and Elastic Properties of Boron Suboxide

    Science.gov (United States)

    2015-06-01

    of Boron Suboxide by Amol B Rahane, Jennifer S Dunn, and Vijay Kumar Approved for public release; distribution unlimited...Laboratory Effect of Carbon Doping on the Electronic Structure and Elastic Properties of Boron Suboxide by Amol B Rahane and Vijay Kumar Dr...SUBTITLE Effect of Carbon Doping on the Electronic Structure and Elastic Properties of Boron Suboxide 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c

  12. Effect of grain size on the elastic properties of nanocrystalline {alpha}-iron

    Energy Technology Data Exchange (ETDEWEB)

    Latapie, A.; Farkas, D

    2003-03-03

    The effect of grain size on the elastic properties of nanocrystalline {alpha}-iron is reported using atomistic simulations. A softening of the elastic properties is observed for grain sizes ranging from 12 nm down to 6 nm. The decrease in the Young's and shear moduli with decreasing grain size is in agreement with experimental data and matches an analytical model based on the rule of mixtures for composite materials.

  13. Solidification of Anisotropic Semiconductor Tellurium Samples in Microgravity and Their Properties

    Science.gov (United States)

    Parfeniev, R. V.; Farbshtein, I. I.; Yakimov, S. V.; Shalimov, V. P.; Turchaninov, A. M.

    A research program was partly completed to determine the influence of microgravity on the crystallization and electrical properties of tellurium, as a semiconductor with both anisotropic crystal lattice and energy spectrum. Three different tellurium samples were solidified in space by a modified Bridgman method in the Crystallizator ChSK-1 furnace aboard the MIR space station. The variation of the crystal structure, charge carrier concentration and mobility along the sample length was investigated and compared with material solidified on earth. The lowest impurity and defect concentrations were obtained in partially melted single crystals resolidified by the Bridgman method. The distribution of electric active and neutral defects along the samples with a concentration as small as 10 -5 at% were measured by a galvanomagnetic method at low temperatures. Some peculiarities of the remelting process connected with microgravity were observed.

  14. Anisotropic and heterogeneous mechanical properties of a stratified shale/limestone sequence at Nash Point, South Wales: A case study for hydraulic fracture propagation through a layered medium

    Science.gov (United States)

    Forbes Inskip, Nathaniel; Meredith, Philip; Gudmundsson, Agust

    2016-04-01

    While considerable effort has been expended on the study of fracture propagation in rocks in recent years, our understanding of how fractures propagate through layered sedimentary rocks with different mechanical and elastic properties remains poorly constrained. Yet this is a key issue controlling the propagation of both natural and anthropogenic hydraulic fractures in layered sequences. Here we report measurements of the contrasting mechanical and elastic properties of the Lower Lias at Nash Point, South Wales, which comprises an interbedded sequence of shale and limestone layers, and how those properties may influence fracture propagation. Elastic properties of both materials have been characterised via ultrasonic wave velocity measurements as a function of azimuth on samples cored both normal and parallel to bedding. The shale is highly anisotropic, with P-wave velocities varying from 2231 to 3890 m s-1, giving an anisotropy of ~55%. By contrast, the limestone is essentially isotropic, with a mean P-wave velocity of 5828 m s-1 and an anisotropy of ~2%. The dynamic Young's modulus of the shale, calculated from P- and S-wave velocity data, is also anisotropic with a value of 36 GPa parallel to bedding and 12 GPa normal to bedding. The modulus of the limestone is again isotropic with a value of 80 GPa. It follows that for a vertical fracture propagating (i.e. normal to bedding) the modulus contrast is 6.6. This is important because the contrast in elastic properties is a key factor in controlling whether fractures arrest, deflect, or propagate across interfaces between layers in a sequence. There are three principal mechanisms by which a fracture may deflect across or along an interface, namely: Cook-Gordon debonding, stress barrier, and elastic mismatch. Preliminary numerical modelling results (using a Finite Element Modelling software) of induced fractures at Nash Point suggest that all three are important. The results demonstrate a rotation of the maximum

  15. On the elastic properties of carbon nanotube-based composites: modelling and characterization

    CERN Document Server

    Thostenson, E T

    2003-01-01

    The exceptional mechanical and physical properties observed for carbon nanotubes has stimulated the development of nanotube-based composite materials, but critical challenges exist before we can exploit these extraordinary nanoscale properties in a macroscopic composite. At the nanoscale, the structure of the carbon nanotube strongly influences the overall properties of the composite. The focus of this research is to develop a fundamental understanding of the structure/size influence of carbon nanotubes on the elastic properties of nanotube-based composites. Towards this end, the nanoscale structure and elastic properties of a model composite system of aligned multi-walled carbon nanotubes embedded in a polystyrene matrix were characterized, and a micromechanical approach for modelling of short fibre composites was modified to account for the structure of the nanotube reinforcement to predict the elastic modulus of the nanocomposite as a function of the constituent properties, reinforcement geometry and nanot...

  16. Influence of structural parameters of the masonry on effective elastic properties and strength

    Directory of Open Access Journals (Sweden)

    А.I. Grishchenko

    2014-08-01

    Full Text Available Two phase masonry model, which contains elastic mortar and elastic bricks, is analyzed numerically in order to evaluate sensitivity of effective elastic moduli and strength properties to a deviation in the masonry structural parameters. Different methods of masonry homogenization are studied. Effective elastic moduli of the masonry representative volume element are obtained by means of direct finite element simulation and homogenization procedure. Influence of variation in the heterogeneous material microstructure characteristics (influence of brick aspect ratio and orientation angle on the local stress-strain state and mechanical properties of the representative volume element of the composite considered is analyzed. Mechanical properties obtained by direct finite element modeling and other methods in various literary sources are compared. These studies are relevant for the design of composite materials with a structure similar to masonry.

  17. A Formalism for the Consistent Description of Non-Linear Elasticity of Anisotropic Media Formalisme pour une description cohérente de l'élasticité non linéaire des milieux anisotropes

    Directory of Open Access Journals (Sweden)

    Helbig K.

    2006-12-01

    Full Text Available The propagation of elastic waves is generally treated under four assumptions: - that the medium is isotropic,- that the medium is homogeneous, - that there is a one-to-one relationship between stress and strain, - that stresses are linearly related to strains (equivalently, that strains are linearly related to stresses. Real media generally violate at least some-and often all-of these assumptions. A valid theoretical description of wave propagation in real media thus depends on the qualitative and quantitative description of the relevant inhomogeneity, anisotropy, and non-linearity: one either has to assume (or show that the deviation from the assumption can - for the problem at hand - be neglected, or develop a theoretical description that is valid even under the deviation. While the effect of a single deviation from the ideal state is rather well understood, difficulties arise in the combination of several such deviations. Non-linear elasticity of anisotropic (triclinic rock samples has been reported, e. g. by P. Rasolofosaon and H. Yin at the 6th IWSA in Trondheim (Rasolofosaon and Yin, 1996. Non-linear anisotropic elasticity matters only for non-infinitesimalamplitudes, i. e. , at least in the vicinity of the source. How large this vicinity is depends on the accuracy of observation and interpretation one tries to maintain, on the source intensity, and on the level of non-linearity. This paper is concerned with the last aspect, i. e. , with the meaning of the numbers beyond the fact that they are the results of measurements. As a measure of the non-linearity of the material, one can use the strain level at which the effective stiffness tensor deviates significantly from the zero-strain stiffness tensor. Particularly useful for this evaluation is the eigensystem (six eigenstiffnesses and six eigenstrains of the stiffness tensor : the eigenstrains provide suitable strain typesfor the calculation of the effective stiffness tensor, and the

  18. High-pressure elastic properties of cubic Ir2P from ab initio calculations

    Science.gov (United States)

    Sun, Xiao-Wei; Bioud, Nadhira; Fu, Zhi-Jian; Wei, Xiao-Ping; Song, Ting; Li, Zheng-Wei

    2016-10-01

    A study of the high-pressure elastic properties of new synthetic Ir2P in the anti-fluorite structure is conducted using ab initio calculations based on density functional theory. The elastic constants C11, C12 and C44 for the cubic Ir2P are obtained by the stress-strain method and the elastic stability calculations under pressure indicate that it is stable at least 100 GPa. Additionally, the electronic density of states, the aggregate elastic moduli, that is bulk modulus, shear modulus, and Young's modulus along with the Debye temperature, Poisson's ratio, and elastic anisotropy factor are all successfully obtained. Moreover, the pressure dependence of the longitudinal and shear wave velocities in three different directions [100], [110], and [111] for Ir2P are also predicted for the first time.

  19. Gravitational stresses in anisotropic rock masses

    Science.gov (United States)

    Amadei, B.; Savage, W.Z.; Swolfs, H.S.

    1987-01-01

    This paper presents closed-form solutions for the stress field induced by gravity in anisotropic rock masses. These rocks are assumed to be laterally restrained and are modelled as a homogeneous, orthotropic or transversely isotropic, linearly elastic material. The analysis, constrained by the thermodynamic requirement that strain energy be positive definite, gives the following important result: inclusion of anisotropy broadens the range of permissible values of gravity-induced horizontal stresses. In fact, for some ranges of anisotropic rock properties, it is thermodynamically admissible for gravity-induced horizontal stresses to exceed the vertical stress component; this is not possible for the classical isotropic solution. Specific examples are presented to explore the nature of the gravity-induced stress field in anisotropic rocks and its dependence on the type, degree and orientation of anisotropy with respect to the horizontal ground surface. ?? 1987.

  20. Elastic and anelastic properties of Marval 18 steel

    Energy Technology Data Exchange (ETDEWEB)

    Cordero, F.; Corvasce, F.; Franco, R.; Paparo, G. [Consiglio Nazionale delle Ricerche, Rome (Italy). Ist. di Acustica ' O.M. Corbino' ; Maiorana, E.; Rapagnani, P.; Ricci, F. [Universita di Roma ' La Sapienza' , Dipartimento di Fisica, P. le A. Moro 2, I-00185, Rome (Italy); Braccini, S.; Casciano, C.; De Salvo, R.; Frasconi, F.; Passaquieti, R. [INFN, Sezione di Pisa, San Piero a Grado (PI), Rome (Italy); De Sanctis, M.; Solina, A.; Valentini, R. [Dip. Ingegneria Chimica e Scienza dei Materiali, University of Pisa, Pisa (Italy)

    2000-09-28

    Marval 18 is a precipitation hardened steel with particularly high hardness and low creep, presently used for constructing parts of the interferometers for the detection of gravitational waves in the experiments VIRGO and LIGO. The elastic moduli have been measured in samples subjected to the same treatments as the parts of the interferometer VIRGO. In addition, the anelastic spectra of samples subjected to different thermal treatments have been measured between 50 and 350 K. It is found that, in the absence of plastic deformation, the elastic energy loss coefficient under flexural vibrations around 1 kHz can vary by more than one order of magnitude depending on the thermal treatments, and is dominated by the thermoelastic effect. The main reason for such strong variations is supposed to be the dependence of the thermal conductivity on the average sizes and distances between the precipitate particles. (orig.)

  1. Tissue elasticity properties as biomarkers for prostate cancer

    OpenAIRE

    Hoyt, Kenneth; Castaneda, Benjamin; Zhang, Man; Nigwekar, Priya; di Sant’Agnese, P.Anthony; Joseph, Jean V.; Strang, John; Rubens, Deborah J.; Parker, Kevin J.

    2008-01-01

    In this paper we evaluate tissue elasticity as a longstanding but qualitative biomarker for prostate cancer and sonoelastography as an emerging imaging tool for providing qualitative and quantitative measurements of prostate tissue stiffness. A Kelvin-Voigt Fractional Derivative (KVFD) viscoelastic model was used to characterize mechanical stress relaxation data measured from human prostate tissue samples. Mechanical testing results revealed that the viscosity parameter for cancerous prostate...

  2. Elastic properties of RCC under flexural loading-experimental and analytical approach

    Indian Academy of Sciences (India)

    S K Kulkarni; M R Shiyekar; S M Shiyekar; B Wagh

    2014-06-01

    In structural analysis,especially in indeterminate structures, it becomes essential to know material and geometrical properties of members. The codal provisions recommend elastic properties of concrete and steel and these are fairly accurate enough. The stress–strain curve for concrete cylinder or a cube specimen is plotted. The slope of this curve is modulus of elasticity of plain concrete. Another method of determining modulus of elasticity of concrete is by flexural test of a beam specimen. The modulus of elasticity most commonly used for concrete is secant modulus. The modulus of elasticity of steel is obtained by performing a tension test of steel bar. While performing analysis by any software for high rise building, cross area of plain concrete is taken into consideration whereas effects of reinforcement bars and concrete confined by stirrups are neglected. The aim of study is to determine elastic properties of reinforced cement concrete material. Two important stiffness properties such as AE and EI play important role in analysis of high rise RCC building idealized as plane frame. The experimental programme consists of testing of beams (model size 150 × 150 × 700 mm) with percentage of reinforcement varying from 0.54 to 1.63%. The experimental results are verified by using 3D finite element techniques. This study refers to the effect of variation of percentage of main longitudinal reinforcement and concrete grade. Effect of confinement is not considered and it appears in a separate study.

  3. Smart Optical Composite Materials: Dispersions of Metal-Organic Framework@Superparamagnetic Microrods for Switchable Isotropic-Anisotropic Optical Properties.

    Science.gov (United States)

    Mandel, Karl; Granath, Tim; Wehner, Tobias; Rey, Marcel; Stracke, Werner; Vogel, Nicolas; Sextl, Gerhard; Müller-Buschbaum, Klaus

    2017-01-24

    A smart optical composite material with dynamic isotropic and anisotropic optical properties by combination of luminescence and high reflectivity was developed. This combination enables switching between luminescence and angle-dependent reflectivity by changing the applied wavelength of light. The composite is formed as anisotropic core/shell particles by coating superparamagnetic iron oxide-silica microrods with a layer of the luminescent metal-organic framework (MOF) (3)∞[Eu2(BDC)3]·2DMF·2H2O (BDC(2-) = 1,4-benzenedicarboxylate). The composite particles can be rotated by an external magnet. Their anisotropic shape causes changes in the reflectivity and diffraction of light depending on the orientation of the composite particle. These rotation-dependent optical properties are complemented by an isotropic luminescence resulting from the MOF shell. If illuminated by UV light, the particles exhibit isotropic luminescence while the same sample shows anisotropic optical properties when illuminated with visible light. In addition to direct switching, the optical properties can be tailored continuously between isotropic red emission and anisotropic reflection of light if the illuminating light is tuned through fractions of both UV and visible light. The integration and control of light emission modes within a homogeneous particle dispersion marks a smart optical material, addressing fundamental directions for research on switchable multifunctional materials. The material can function as an optic compass or could be used as an optic shutter that can be switched by a magnetic field, e.g., for an intensity control for waveguides in the visible range.

  4. First-principles calculations on elasticity and the thermodynamic properties of TaC under pressure

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Feng; Han, Ligang; Fu, Hongzhi [College of Physics and Electronic Information, Luoyang Normal University, Luoyang (China); Cheng, Xinlu [Institute of Atomic and Molecular Physics, Sichuan University, Chengdu (China)

    2009-07-15

    First-principles calculations on the elastic and the thermodynamic properties of TaC have been carried out with the plane-wave pseudopotential density functional method. The calculated values are in very good agreement with experimental data as well as with some of the existing model calculations. The dependence of the elastic constants c{sub ij}, the aggregate elastic moduli (B,G,E), and the elastic anisotropy on pressure have been investigated. Moreover, the variation of the Poisson ratio and Debye temperature with pressure have been investigated for the first time. Through the quasi-harmonic Debye model, the thermodynamic properties were also obtained successfully. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  5. Elastic and thermal properties of Zr z Nb1 - z C x N y solid solutions

    Science.gov (United States)

    Gusev, A. I.

    2013-07-01

    The temperature and concentration dependences of the elastic moduli and the thermal linear expansion coefficient of Zr z Nb1 - z C x N y solid solutions containing from 3 to 8 at % of structural vacancies in a nonmetallic sublattice have been found. The temperature dependences of the Debye temperature ΘD( T) have been calculated using the elastic data and the data on the heat capacity. It has been shown, using carbide NbC0.97 as an example, that the ΘD( T) dependences found from the elastic properties and the heat capacity coincide in the temperature range ˜220-300 K. By analogy with the niobium carbide, the heat capacity C p (300) of Zr z Nb1 - z C x N y solid solutions of various compositions is calculated based on the values of ΘD(300) determined from the elastic properties.

  6. Elastic Properties of Rutile TiO2 at High Temperature

    Institute of Scientific and Technical Information of China (English)

    WANG Yan-Ju; CHANG Jing; TAN Li-Na; CHEN Xiang-Rong

    2007-01-01

    Dependence of elastic properties on temperature for rutile TiO2 is investigated by the Cambridge Serial Total Energy Package (CASTEP) program in the frame of density function theory (DFT) and the quasi-harmonic Debye model. The six independent elastic constants of rutile TiO2 at high temperature are theoretically obtained for the first time. It is found that with increasing temperature, the elastic constants will decrease monotonically.Moreover, we successfully obtain the polycrystalline moduli BH and GH, as well as the Debye temperature (⊙)D.

  7. Acoustic and elastic properties of Sn(2)P(2)S(6) crystals.

    Science.gov (United States)

    Mys, O; Martynyuk-Lototska, I; Grabar, A; Vlokh, R

    2009-07-01

    We present the results concerned with acoustic and elastic properties of Sn(2)P(2)S(6) crystals. The complete matrices of elastic stiffness and compliance coefficients are determined in both the crystallographic coordinate system and the system associated with eigenvectors of the elastic stiffness tensor. The acoustic slowness surfaces are constructed and the propagation and polarization directions of the slowest acoustic waves promising for acousto-optic interactions are determined on this basis. The acoustic obliquity angle and the deviation of polarization of the acoustic waves from purely transverse or longitudinal states are quantitatively analysed.

  8. First-Principle Calculations for Elastic and Thermodynamic Properties of Diamond

    Institute of Scientific and Technical Information of China (English)

    FU Zhi-Jian; JI Guang-Fu; CHEN Xiang-Rong; GOU Qing-Quan

    2009-01-01

    The elastic constants and thermodynamic properties of diamond are investigated by using the CRYSTAL03 ture are obtained. The results are in good agreement with the available experimental and theoretical data. Moreover, the relationship between V/V0 and pressure, the elastic constants under high pressure are successfully obtained. Especially, the elastic constants of diamond under high pressure are firstly obtained theoretically. At the same time, the variations of the thermal expansion α with pressure P and temperature Tare obtained systematically in the ranges of 0-870 GPa and 0-1600 K.

  9. Elastic properties of two dimensional hard discs in the close packing limit

    CERN Document Server

    Wojciechowski, K W; Kowalik, M; Tretiakov, K V

    2003-01-01

    Elastic constants and the Poisson ratio of defect-free hard disc solid are determined by two independent methods: (1) analysis of the box side fluctuations in the NpT ensemble with variable box +shape and (2) numerical differentiation (with respect to strain components) of the free energy computed in the NVT ensemble. It is shown that reasonable estimates of the elastic properties can be obtained by studying small systems and that the singular behavior of the elastic constants near close packing is well described by the free volume approximation; the coefficients of the leading singularities are estimated.

  10. Optical, elastic and thermal properties of ZB-AlN semiconductor from first-principle calculations

    Science.gov (United States)

    Kumar, V.; Singh, Bhanu P.; Chandra, Satish

    2016-12-01

    The optical, elastic and thermal properties of zincblende aluminium nitride have been studied. The refractive index, absorption coefficient, reflectivity, dielectric constant, extinction coefficient, and energy-loss spectrum have been calculated using the pseudo-potential method under density functional theory at different pressures. The heat capacity, Debye temperature and phonon frequencies have been calculated using CASTEP code at 0 GPa. The elastic stiffness constants, bulk modulus, Young's modulus, shear modulus and pressure derivatives of elastic constants have also been calculated. The calculated results are compared with the available experimental and theoretical data. Reasonably good agreement has been found between them.

  11. Ab-initio study of electronic structure and elastic properties of ZrC

    Science.gov (United States)

    Mund, H. S.; Ahuja, B. L.

    2016-05-01

    The electronic and elastic properties of ZrC have been investigated using the linear combination of atomic orbitals method within the framework of density functional theory. Different exchange-correlation functionals are taken into account within generalized gradient approximation. We have computed energy bands, density of states, elastic constants, bulk modulus, shear modulus, Young's modulus, Poisson's ratio, lattice parameters and pressure derivative of the bulk modulus by calculating ground state energy of the rock salt structure type ZrC.

  12. On the identification of the eggshell elastic properties under quasistatic compression

    Directory of Open Access Journals (Sweden)

    Jana Simeonovová

    2004-01-01

    Full Text Available The problem of the identification of the elastic properties of eggshell, i.e. the evaluation of the Young's modulus and Poisson's ratio is solved. The eggshell is considered as a rotational shell. The experiments on the egg compression under quasistatic loading have been conducted. During these experiments a strain on the eggshell surface has been recorded. By the mutual comparison between experimental and theoretical values of strains the influence of the elastic constants has been demonstrated.

  13. Elastic properties and apparent density of human edentulous maxilla and mandible.

    Science.gov (United States)

    Seong, W-J; Kim, U-K; Swift, J Q; Heo, Y-C; Hodges, J S; Ko, C-C

    2009-10-01

    The aim of this study was to determine whether elastic properties and apparent density of bone differ in different anatomical regions of the maxilla and mandible. Additional analyses assessed how elastic properties and apparent density were related. Four pairs of edentulous maxilla and mandibles were retrieved from fresh human cadavers. Bone samples from four anatomical regions (maxillary anterior, maxillary posterior, mandibular anterior, mandibular posterior) were obtained. Elastic modulus (EM) and hardness (H) were measured using the nano-indentation technique. Bone samples containing cortical and trabecular bone were used to measure composite apparent density (cAD) using Archimedes' principle. Statistical analyses used repeated measures ANOVA and Pearson correlations. Bone physical properties differed between regions of the maxilla and mandible. Generally, mandible had higher physical property measurements than maxilla. EM and H were higher in posterior than in anterior regions; the reverse was true for cAD. Posterior maxillary cAD was significantly lower than that in the three other regions.

  14. Theoretical investigations on the elastic and thermodynamic properties of rhenium phosphide

    Energy Technology Data Exchange (ETDEWEB)

    Wei, Qun; Zhu, Xuanmin; Lin, Zhengzhe; Yao, Ronghui [Xidian Univ., Xi' an (China). School of Physics and Optoelectronic Engineering; Yan, Haiyan [Baoji Univ. of Arts and Sciences (China). Dept. of Chemistry and Chemical Engineering

    2016-04-01

    Structural, mechanical, and electronic properties of orthorhombic rhenium phosphide (Re{sub 2}P) are systematically investigated by using first principles calculations. The elastic constants and anisotropy of elastic properties are obtained. The metallic character of Re{sub 2}P is demonstrated by density of state calculations. The quasi-harmonic Debye model is applied to the study of the thermodynamic properties. The thermal expansion, heat capacities, and Grueneisen parameter on the temperature and pressure have been determined as a function of temperature and pressure in the pressure range from 0 to 100 GPa and the temperature range from 0 to 1600 K.

  15. Theoretical study of structural, elastic and thermodynamic properties of CZTX (X = S and Se) alloys

    Energy Technology Data Exchange (ETDEWEB)

    Bensalem, S., E-mail: bensalemse@gmail.com [Centre de Développement des Energies Renouvelables, CDER, BP 62 Route de l’Observatoire Bouzaréah, 16340 Algiers (Algeria); Département de Physique, Faculté des Sciences, Université de Sétif 1, 19000 Sétif (Algeria); Chegaar, M. [Département de Physique, Faculté des Sciences, Université de Sétif 1, 19000 Sétif (Algeria); Laboratoire d’Optoélectronique et Composants, Université de Sétif 1, 19000 Sétif (Algeria); Maouche, D.; Bouhemadou, A. [Laboratoire de Développement de Nouveaux Matériaux et leurs Caractérisations, Université de Sétif 1, 19000 Sétif (Algeria)

    2014-03-15

    Highlights: • CZTX (X = S, Se) alloys are relatively new absorbers for solar cells applications. • Elastic and thermodynamic properties of these alloys are not well understood. • The considered types “kesterite and stannite” can coexist in experimental samples. • Elastic and thermodynamic properties of both types have been investigated. • Coexistence of both types does not influence the behavior of CZTX-based devices. -- Abstract: By means of first-principles calculation approach, structural parameters, elastic and thermodynamic properties of Copper–Zinc–Tin–(Sulphide, Selenide) or Cu{sub 2}ZnSnX{sub 4} (X = S and Se) alloys for the kesterite (KS) and stannite (ST) types have been investigated. The calculated lattice parameters are in good agreement with experimental reported data. The elastic constants are calculated for both types of both compounds using the static finite strain scheme; the pressure dependence of elastic constants is predicted. The bulk modulus, anisotropy factor, shear modulus, Young’s modulus, Lame’s coefficient and Poisson’s ratio have been estimated from the calculated single crystalline elastic constants. The analysis of B/G ratio shows that Cu{sub 2}ZnSnX{sub 4} or CZTX compounds behave as ductile. Through quasi-harmonic approximation, the temperature dependence of some thermodynamic functions and lattice heat capacity of both compounds for both types have been performed.

  16. Anisotropic local physical properties of human dental enamel in comparison to properties of some common dental filling materials.

    Science.gov (United States)

    Raue, Lars; Hartmann, Christiane D; Rödiger, Matthias; Bürgers, Ralf; Gersdorff, Nikolaus

    2014-11-01

    A major aspect in evaluating the quality of dental materials is their physical properties. Their properties should be a best fit of the ones of dental hard tissues. Manufacturers give data sheets for each material. The properties listed are characterized by a specific value. This assumes (but does not prove) that there is no direction dependence of the properties. However, dental enamel has direction-dependent properties which additionally vary with location in the tooth. The aim of this paper is to show the local direction dependence of physical properties like the elastic modulus or the thermal expansion in dental hard tissues. With this knowledge the 'perfect filling/dental material' could be characterized. Enamel sections of ∼400-500 μm thickness have been cut with a diamond saw from labial/buccal to palatal/lingual (canine, premolar and molar) and parallel to labial (incisor). Crystallite arrangements have been measured in over 400 data points on all types of teeth with x-ray scattering techniques, known from materials science. X-ray scattering measurements show impressively that dental enamel has a strong direction dependence of its physical properties which also varies with location within the tooth. Dental materials possess only little or no property direction dependence. Therefore, a mismatch was found between enamel and dental materials properties. Since dental materials should possess equal (direction depending) properties, worthwhile properties could be characterized by transferring the directional properties of enamel into a property 'wish list' which future dental materials should fulfil. Hereby the 'perfect dental material' can be characterized.

  17. Visco-Elastic Properties of Sodium Hyaluronate Solutions

    Science.gov (United States)

    Kulicke, Werner-Michael; Meyer, Fabian; Bingöl, Ali Ö.; Lohmann, Derek

    2008-07-01

    Sodium Hyaluronate (NaHA) is a member of the glycosaminoglycans and is present in the human organism as part of the synovial fluid and the vitreous body. HA is mainly commercialized as sodium or potassium salt. It can be extracted from cockscombs or can be produced by bacterial fermentation ensuring a low protein content. Because of its natural origin and toxicological harmlessness, NaHA is used to a great extent for pharmaceutical and cosmetic products. In medical applications, NaHA is already being used as a component of flushing and stabilizing fluids in the treatment of eye cataract and as a surrogate for natural synovial fluid. Another growing domain in the commercial utilization of NaHA is the field of skin care products like dermal fillers or moisturizers. In this spectrum, NaHA is used in dilute over semidilute up to concentrated (0elastic material functions of different NaHA samples. This includes, besides shear flow and oscillatory experiments, the performance of rheo-optical measurements in order to determine the elastic component in the range of low shear rates and low concentrations.

  18. Elastic properties of the filled and unfilled skutterudite compounds

    Energy Technology Data Exchange (ETDEWEB)

    Nakanishi, Y [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan); Fujino, T [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan); Kikuchi, F [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan); Tanizawa, T [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan); Sun, P [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan); Nakamura, M [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan); Yoshino, G [Graduate School of Science, Tohoku University, Sendai 980-8578 (Japan); Ochiai, A [Graduate School of Science, Tohoku University, Sendai 980-8578 (Japan); Sugawara, H [Faculty of Integrated Arts and Sciences, University of Tokushima, Tokushima, 770-8502 (Japan); Kikuchi, D [Department of Physics, Tokyo Metropolitan University, Hachioji, 192-0397 (Japan); Sato, H [Department of Physics, Tokyo Metropolitan University, Hachioji, 192-0397 (Japan); Yoshizawa, M [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan)

    2007-12-15

    Ultrasonic measurements were made on a single crystal of the unfilled skutterudite compounds RhSb{sub 3} and IrSb{sub 3} and compare with that of the filled skutterudite PrOs{sub 4} Sb{sub 12} to elucidate the role of the guest ions Pr. A characteristic increase was observed around 30 K in the temperature dependence of elastic constants (C{sub 11}-C{sub 12})/2 and C{sub 44} which is ascribed to unusual vibration 'rattling' of Pr ions in an atomic cage formed by Sb-'icosahedron. On the other hand, the elastic constants C{sub 11} (C{sub 11}-C{sub 12})/2 and C{sub 44} increase monotonically with decreasing temperature in the case of RhSb{sub 3} and IrSb{sub 3}. No such a characteristic increase was observed. These results give us a piece of evidence that the guest ions would play a crucial role for 'rattling motion' in filled skutterudite compounds.

  19. Characterization of nuclear graphite elastic properties using laser ultrasonic methods

    Science.gov (United States)

    Zeng, Fan W.; Han, Karen; Olasov, Lauren R.; Gallego, Nidia C.; Contescu, Cristian I.; Spicer, James B.

    2015-05-01

    Laser ultrasonic methods have been used to characterize the elastic behaviors of commercially-available and legacy nuclear graphites. Since ultrasonic techniques are sensitive to various aspects of graphite microstructure including preferred grain orientation, microcrack orientation and porosity, laser ultrasonics is a candidate technique for monitoring graphite degradation and structural integrity in environments expected in high-temperature, gas-cooled nuclear reactors. Aspects of materials texture can be assessed by studying ultrasonic wavespeeds as a function of propagation direction and polarization. Shear wave birefringence measurements, in particular, can be used to evaluate elastic anisotropy. In this work, laser ultrasonic measurements of graphite moduli have been made to provide insight into the relationship between the microstructures and the macroscopic stiffnesses of these materials. In particular, laser ultrasonic measurements have been made using laser line sources to produce shear waves with specific polarizations. By varying the line orientation relative to the sample, shear wave birefringence measurements have been recorded. Results from shear wave birefringence measurements show that an isostatically molded graphite, such as PCIB, behaves isotropically, while an extruded graphite, such as H-451, displays significant ultrasonic texture. Graphites have complicated microstructures that depend on the manufacturing processes used, and ultrasonic texture in these materials could originate from grain orientation and preferred microcrack alignment. Effects on material isotropy due to service related microstructural changes are possible and the ultimate aim of this work is to determine the degree to which these changes can be assessed nondestructively using laser ultrasonics measurements.

  20. 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.

  1. Polarization bandgaps and fluid-like elasticity in fully solid elastic metamaterials

    Science.gov (United States)

    Ma, Guancong; Fu, Caixing; Wang, Guanghao; Del Hougne, Philipp; Christensen, Johan; Lai, Yun; Sheng, Ping

    2016-11-01

    Elastic waves exhibit rich polarization characteristics absent in acoustic and electromagnetic waves. By designing a solid elastic metamaterial based on three-dimensional anisotropic locally resonant units, here we experimentally demonstrate polarization bandgaps together with exotic properties such as `fluid-like' elasticity. We construct elastic rods with unusual vibrational properties, which we denote as `meta-rods'. By measuring the vibrational responses under flexural, longitudinal and torsional excitations, we find that each vibration mode can be selectively suppressed. In particular, we observe in a finite frequency regime that all flexural vibrations are forbidden, whereas longitudinal vibration is allowed--a unique property of fluids. In another case, the torsional vibration can be suppressed significantly. The experimental results are well interpreted by band structure analysis, as well as effective media with indefinite mass density and negative moment of inertia. Our work opens an approach to efficiently separate and control elastic waves of different polarizations in fully solid structures.

  2. 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.

  3. Elastic Properties and Internal Friction of Two Magnesium Alloys at Elevated Temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Freels, M.; Liaw, P. K.; Garlea, E.; Morrell, J. S.; Radiovic, M.

    2011-06-01

    The elastic properties and internal friction of two magnesium alloys were studied from 25 C to 450 C using Resonant Ultrasound Spectroscopy (RUS). The Young's moduli decrease with increasing temperature. At 200 C, a change in the temperature dependence of the elastic constants is observed. The internal friction increases significantly with increasing temperature above 200 C. The observed changes in the temperature dependence of the elastic constants and the internal friction are the result of anelastic relaxation by grain boundary sliding at elevated temperatures. Elastic properties govern the behavior of a materials subjected to stress over a region of strain where the material behaves elastically. The elastic properties, including the Young's modulus (E), shear modulus (G), bulk modulus (B), and Poisson's ratio (?), are of significant interest to many design and engineering applications. The choice of the most appropriate material for a particular application at elevated temperatures therefore requires knowledge of its elastic properties as a function of temperature. In addition, mechanical vibration can cause significant damage in the automotive, aerospace, and architectural industries and thus, the ability of a material to dissipate elastic strain energy in materials, known as damping or internal friction, is also important property. Internal friction can be the result of a wide range of physical mechanisms, and depends on the material, temperature, and frequency of the loading. When utilized effectively in engineering applications, the damping capacity of a material can remove undesirable noise and vibration as heat to the surroundings. The elastic properties of materials can be determined by static or dynamic methods. Resonant Ultrasound Spectroscopy (RUS), used in this study, is a unique and sophisticated non-destructive dynamic technique for determining the complete elastic tensor of a solid by measuring the resonant spectrum of mechanical resonance for a

  4. When do fractured media become seismically anisotropic? Some implications on quantifying fracture properties

    Science.gov (United States)

    Yousef, B. M.; Angus, D. A.

    2016-06-01

    Fractures are pervasive features within the Earth's crust and they have a significant influence on the multi-physical response of the subsurface. The presence of coherent fracture sets often leads to observable seismic anisotropy enabling seismic techniques to remotely locate and characterise fracture systems. In this study, we confirm the general scale-dependence of seismic anisotropy and provide new results specific to shear-wave splitting (SWS). We find that SWS develops under conditions when the ratio of wavelength to fracture size (λS / d) is greater than 3, where Rayleigh scattering from coherent fractures leads to an effective anisotropy such that effective medium model (EMM) theory is qualitatively valid. When 1 scattering, where no effective anisotropy develops and hence the SWS measurements are unstable. When λS / d scattering and begin to see behaviour similar to transverse isotropy. We find that seismic anisotropy is more sensitive to fracture density than fracture compliance ratio. More importantly, we observe that the transition from scattering to an effective anisotropic regime occurs over a propagation distance between 1 and 2 wavelengths depending on the fracture density and compliance ratio. The existence of a transition zone means that inversion of seismic anisotropy parameters based on EMM will be fundamentally biased. More importantly, we observe that linear slip EMM commonly used in inverting fracture properties is inconsistent with our results and leads to errors of approximately 400% in fracture spacing (equivalent to fracture density) and 60% in fracture compliance. Although EMM representations can yield reliable estimates of fracture orientation and spatial location, our results show that EMM representations will systematically fail in providing quantitatively accurate estimates of other physical fracture properties, such as fracture density and compliance. Thus more robust and accurate quantitative estimates of in situ fracture

  5. Investigation of low field dielectric properties of anisotropic porous Pb(Zr,Ti)O3 ceramics: Experiment and modeling

    Science.gov (United States)

    Olariu, C. S.; Padurariu, L.; Stanculescu, R.; Baldisserri, C.; Galassi, C.; Mitoseriu, L.

    2013-12-01

    Anisotropic porous Pb(Zr,Ti)O3 ceramics with various porosity degrees have been studied in order to determine the role of the pore shape and orientation on the low-field dielectric properties. Ceramic samples with formula Pb(Zr0.52Ti0.48)0.976Nb0.024O3 with different porosity degrees (dense, 10%, 20%, 40% vol.) have been prepared by solid state reaction. Taking into consideration the shape and orientation of the pore inclusions, the dielectric properties of porous ceramics have been described by using adapted mixing rules models. Rigorous bounds, derived on the basis on Variational Principle, were used to frame dielectric properties of porous composites. The finite element method (FEM) was additionally used to simulate the dielectric response of the porous composites under various applied fields. Among the few effective medium approximation models adapted for anisotropic oriented inclusions, the best results were obtained in case of needle-like shape inclusions (which do not correspond to the real shape of microstructure inclusions). The general case of Wiener bounds limited well the dielectric properties of anisotropic porous composites in case of parallel orientation. Among the theoretical approaches, FEM technique allowed to simulate the distribution of potential and electric field inside composites and provided a very good agreement between the computed permittivity values and experimental ones.

  6. High-pressure structure and elastic properties of tantalum single crystal: First principles investigation

    Science.gov (United States)

    Gu, Jian-Bing; Wang, Chen-Ju; Zhang, Wang-Xi; Sun, Bin; Liu, Guo-Qun; Liu, Dan-Dan; Yang, Xiang-Dong

    2016-12-01

    Since knowledge of the structure and elastic properties of Ta at high pressures is critical for addressing the recent controversies regarding the high-pressure stable phase and elastic properties, we perform a systematical study on the high-pressure structure and elastic properties of the cubic Ta by using the first-principles method. Results show that the initial body-centered cubic phase of Ta remains stable even up to 500 GPa and the high-pressure elastic properties are excellently consistent with the available experimental results. Besides, the high-pressure sound velocities of the single- and poly-crystals Ta are also calculated based on the elastic constants, and the predications exhibit good agreement with the existing experimental data. Project supported by the Basic and Frontier Technical Research Project of Henan Province, China (Grant No. 152300410228), the University Innovation Team Project in Henan Province, China (Grant No. 15IRTSTHN004), and the Key Scientific Research Project of Higher Education of Henan Province, China (Grant No. 17A140014).

  7. Saturation effects on the joint elastic-dielectric properties of carbonates

    Science.gov (United States)

    Han, Tongcheng; Clennell, Michael Ben; Pervukhina, Marina; Josh, Matthew

    2016-06-01

    We used a common microstructural model to investigate the cross-property relations between elastic wave velocities and dielectric permittivity in carbonate rocks. A unified model based on validated self-consistent effective medium theory was used to quantify the effects of porosity and water saturation on both elastic properties (compressional and shear wave velocities) and electromagnetic properties (dielectric permittivity). The results of the forward models are presented as a series of cross-plots covering a wide range of porosities and water saturations and for microstructures that correspond to different predominant aspect ratios. It was found that dielectric permittivity correlated approximately linearly with elastic wave velocity at each saturation stage, with slopes varying gradually from positive at low saturation conditions to negative at higher saturations. The differing sensitivities of the elastic and dielectric rock properties to changes in porosity, pore morphology and water saturation can be used to reduce uncertainty in subsurface fluid saturation estimation when co-located sonic and dielectric surveys are available. The joint approach is useful for cross-validation of rock physics models for analysing pore structure and saturation effects on elastic and dielectric responses.

  8. Phased array compaction cell for measurement of the transversely isotropic elastic properties of compacting sediments

    Energy Technology Data Exchange (ETDEWEB)

    Nihei, K.T.; Nakagawa, S.; Reverdy, F.; Meyer, L.R.; Duranti, L.; Ball, G.

    2010-12-15

    Sediments undergoing compaction typically exhibit transversely isotropic (TI) elastic properties. We present a new experimental apparatus, the phased array compaction cell, for measuring the TI elastic properties of clay-rich sediments during compaction. This apparatus uses matched sets of P- and S-wave ultrasonic transducers located along the sides of the sample and an ultrasonic P-wave phased array source, together with a miniature P-wave receiver on the top and bottom ends of the sample. The phased array measurements are used to form plane P-waves that provide estimates of the phase velocities over a range of angles. From these measurements, the five TI elastic constants can be recovered as the sediment is compacted, without the need for sample unloading, recoring, or reorienting. This paper provides descriptions of the apparatus, the data processing, and an application demonstrating recovery of the evolving TI properties of a compacting marine sediment sample.

  9. Thermodynamics and elastic properties of Ta from first-principles calculations

    Institute of Scientific and Technical Information of China (English)

    Li Qiang; Huang Duo-Hui; Cao Qi-Long; Wang Fan-Hou; Cai Ling-Cang; Zhang Xiu-Lu; Jing Fu-Qian

    2012-01-01

    Within the framework of the quasiharmonic approximation,the thermodynamics and elastic properties of Ta,including phonon density of states (DOS),equation of state,linear thermal expansion coefficient,entropy,enthalpy,heat capacity,elastic constants,bulk modulus,shear modulus,Young's modulus,microhardness,and sound velocity,are studied using the first-principles projector-augmented wave method.The vibrational contribution to Helmholtz free energy is evaluated from the first-principles phonon DOS and the Debye model.The thermal electronic contribution to Helmholtz free energy is estimated from the integration over the electronic DOS.By comparing the experimental results with the calculation results from the first-principles and the Debye model,it is found that the thermodynamic properties of Ta are depicted well by the first-principles.The elastic properties of Ta from the first-principles are consistent with the available experimental data.

  10. Estimating the elastic properties of few-layer graphene from the free-standing indentation response.

    Science.gov (United States)

    Zhou, Lixin; Wang, Yugang; Cao, Guoxin

    2013-11-27

    Using molecular mechanics simulations, the elastic properties of multi-layer graphene (MLG) are investigated; this includes both the linear analysis based on the indentation load-displacement relationship and the nonlinear analysis based on the strain energy. The elastic properties of graphene layers in MLG are similar to each other and also quite close to those of monolayer graphene. The van der Waals (VDW) interaction between graphene layers (interlayer interaction) will create a difference between the indenter tip displacement and the deviation of MLG in indentation, which will cause an overestimation of the elastic modulus of MLG based on classic indentation analysis. This overestimation can be as high as 20%. In addition, the interlayer interaction will significantly affect the nonlinear elastic behavior of MLG in free-standing indentation. With an increase in the number of layers of MLG, the second-order elastic stiffness of MLG is very sensitive to the indentation loading range, and the third-order nonlinear elastic constant is significantly increased.

  11. 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'...

  12. 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.

  13. Synthesizing metamaterials with angularly independent effective medium properties based on an anisotropic parameter retrieval technique coupled with a genetic algorithm

    Science.gov (United States)

    Jiang, Zhi Hao; Bossard, Jeremy A.; Wang, Xiande; Werner, Douglas H.

    2011-01-01

    In this paper, we present a method to retrieve the effective electromagnetic parameters of a slab of anisotropic metamaterial from reflection and transmission coefficients (or scattering parameters). In this retrieval method, calculated or measured scattering parameters are employed for plane waves incident obliquely on a metamaterial slab at different angles. Useful analytical expressions are derived for extracting the homogeneous anisotropic medium parameters of a metamaterial. To validate the method, the effective permittivity and permeability tensor parameters for a composite split-ring resonator-wire array are retrieved and shown to be consistent with observations previously reported in the literature. This retrieval method is further incorporated into a genetic algorithm (GA) to synthesize an infrared zero-index-metamaterial with a wide field-of-view, demonstrating the utility of the new design approach. The anisotropic parameter retrieval algorithm, when combined with a robust optimizer such as GA, can provide a powerful design tool for exploiting the anisotropic properties in metamaterials to achieve specific angle dependant or independent responses.

  14. Multi-phase-field study of the effects of anisotropic grain-boundary properties on polycrystalline grain growth

    Science.gov (United States)

    Miyoshi, Eisuke; Takaki, Tomohiro

    2017-09-01

    Numerical studies of the effects of anisotropic (misorientation-dependent) grain-boundary energy and mobility on polycrystalline grain growth have been carried out for decades. However, conclusive knowledge has yet to be obtained even for the simplest two-dimensional case, which is mainly due to limitations in the computational accuracy of the grain-growth models and computer resources that have been employed to date. Our study attempts to address these problems by utilizing a higher-order multi-phase-field (MPF) model, which was developed to accurately simulate grain growth with anisotropic grain-boundary properties. In addition, we also employ general-purpose computing on graphics processing units to accelerate MPF grain-growth simulations. Through a series of simulations of anisotropic grain growth, we succeeded in confirming that both the anisotropies in grain-boundary energy and mobility affect the morphology formed during grain growth. On the other hand, we found the grain growth kinetics in anisotropic systems to follow parabolic law similar to isotropic growth, but only after an initial transient period.

  15. ARTc: Anisotropic reflectivity and transmissivity calculator

    Science.gov (United States)

    Malehmir, Reza; Schmitt, Douglas R.

    2016-08-01

    While seismic anisotropy is known to exist within the Earth's crust and even deeper, isotropic or even highly symmetric elastic anisotropic assumptions for seismic imaging is an over-simplification which may create artifacts in the image, target mis-positioning and hence flawed interpretation. In this paper, we have developed the ARTc algorithm to solve reflectivity, transmissivity as well as velocity and particle polarization in the most general case of elastic anisotropy. This algorithm is able to provide reflectivity solution from the boundary between two anisotropic slabs with arbitrary symmetry and orientation up to triclinic. To achieve this, the algorithm solves full elastic wave equation to find polarization, slowness and amplitude of all six wave-modes generated from the incident plane-wave and welded interface. In the first step to calculate the reflectivity, the algorithm solves properties of the incident wave such as particle polarization and slowness. After calculation of the direction of generated waves, the algorithm solves their respective slowness and particle polarization. With this information, the algorithm then solves a system of equations incorporating the imposed boundary conditions to arrive at the scattered wave amplitudes, and thus reflectivity and transmissivity. Reflectivity results as well as slowness and polarization are then tested in complex computational anisotropic models to ensure their accuracy and reliability. ARTc is coded in MATLAB ® and bundled with an interactive GUI and bash script to run on single or multi-processor computers.

  16. Pressure effect on elastic properties in SmRu{sub 4}P{sub 12}

    Energy Technology Data Exchange (ETDEWEB)

    Sun, P. [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan)]. E-mail: psun@iwate-u.ac.jp; Nakanishi, Y. [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan); Nakamura, M. [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan); Ohashi, M. [Department of Physics, Kyushu University, Fukuoka 810-8560 (Japan); Oomi, G. [Department of Physics, Kyushu University, Fukuoka 810-8560 (Japan); Sekine, C. [Faculty of Engineering, Muroran Institute of Technology, Muroran 050-8585 (Japan); Shirotani, I. [Faculty of Engineering, Muroran Institute of Technology, Muroran 050-8585 (Japan); Yoshizawa, M. [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan)

    2007-03-15

    We investigated the elastic properties of the filled skutterudite compound SmRu{sub 4}P{sub 12} under hydrostatic pressures. Elastic softening above the metal-insulator transition T{sub MI} is enhanced by applying pressures, especially in the transverse elastic constant C{sub T}. The enhanced elastic softening suggests quadrupole moment may be one of the possible ordering parameters below T{sub MI}. Strangely, the softening is not a monotonic evolution with respect to pressure; the strongest softening is observed under pressure of 0.6GPa in C{sub T}. Jahn-Teller energy E{sub JT} and quadrupolar interaction T{sub Q} also display anomalies around this pressure. This experimental fact suggests a strong interplay between the metal-insulator transition and the subsequent magnetic phase transition in SmRu{sub 4}P{sub 12}.

  17. First-principles study of structural, elastic and thermodynamic properties of AuIn2

    Science.gov (United States)

    Wu, Hai Ying; Chen, Ya Hong; Deng, Chen Rong; Yin, Peng Fei; Cao, Hong

    2015-12-01

    The structural, elastic and thermodynamic properties of AuIn2 in the CaF2 structure under pressure have been investigated using ab initio plane wave pseudopotential method within the generalized gradient approximation. The calculated structural parameters and equation of state are in excellent agreement with the available experimental and theoretical results. The elastic constants of AuIn2 at ambient condition are calculated, and the bulk modulus obtained from these calculated elastic constants agrees well with the experimental data. The pressure dependence of the elastic constants, bulk modulus, shear modulus and Young’s modulus has also been investigated. The Debye temperature presents a slight increase with pressure. AuIn2 exhibits ductibility and low hardness characteristics, the ductibility increases while the hardness decreases with the increasing of pressure. The pressure effect on the heat capacity and thermal expansion coefficient for AuIn2 is much larger.

  18. Determination of elastic properties of surface layers and coatings by resonant ultrasound spectroscopy

    Science.gov (United States)

    Růžek, M.; Sedlák, P.; Seiner, H.; Landa, M.

    2011-01-01

    This paper deals with determination of in-plane elastic constants of thin layers deposited on substrates. Modified resonant ultrasound spectroscopy is used to measure resonant spectra before and after layer deposition . These two spectra are compared and changes in the position of the resonant peaks are associated with layer properties. It is shown that for thin layers either the elastic moduli or the surface mass density can be determined, providing the complementary information (the surface mass density for the determination of the moduli, the elastic moduli for the determination of the surface mass density) is known. As an experimental demonstration of this approach, the elastic moduli of diamond-like-carbon film deposited on a silicon substrate and the surface mass density of a thin spray paint on a silicon substrate are determined.

  19. A theoretical study of the elastic and thermal properties of ScRu compound under pressure

    Science.gov (United States)

    Huang, Shuo; Li, Rui-Zi; Qi, San-Tao; Chen, Bao; Shen, Jiang

    2014-06-01

    The elastic and thermal properties of ScRu under pressure are studied using a first-principles pseudopotential method within the generalized gradient approximation. The calculated lattice parameter and formation enthalpy are in good agreement with the previous experimental and theoretical results. From the static finite strain technique, we obtained three independent elastic constants (C 11, C 12 and C 44) and various secondary elasticity parameters such as shear modulus, Young’s modulus and elastic anisotropy, as functions of pressure. This study also provided the pressure and temperature variations of the bulk modulus, Debye temperature, thermal expansion coefficient and heat capacity in wide pressure (0-60 GPa) and temperature (0-1800 K) ranges.

  20. Elastic properties of amorphous Si and derived Debye temperatures and Grueneisen parameters: Model calculation

    Energy Technology Data Exchange (ETDEWEB)

    Feldman, J.L.; Broughton, J.Q. (Complex Systems Theory Branch, Naval Research Laboratory, Washington, D.C. 20375-5000 (US)); Wooten, F. (Department of Applied Science, University of California at Davis/Livermore, Livermore, California 94550 (US))

    1991-01-15

    Calculations, based on the Stillinger-Weber (SW) interatomic-potential model and the method of long waves, are presented for the elastic properties of amorphous Si ({ital a}-Si) and for pressure derivatives of the elastic constants of crystalline Si. Several models of {ital a}-Si, relaxed on the basis of the SW potential, are considered, and the external stresses that are associated with these models are evaluated using the Born-Huang relations. The elastic constants appear to obey the isotropy conditions to within a reasonable accuracy and are also consistent with other predictions based on the SW potential at finite temperature obtained by Kluge and Ray. Estimates of the pressure dependence of the elastic constants, Debye temperature, and Grueeisen parameter for {ital a}-Si are also provided on the basis of these calculations.

  1. Elastic Properties of the Annular Ligament of the Human Stapes--AFM Measurement.

    Science.gov (United States)

    Kwacz, Monika; Rymuza, Zygmunt; Michałowski, Marcin; Wysocki, Jarosław

    2015-08-01

    Elastic properties of the human stapes annular ligament were determined in the physiological range of the ligament deflection using atomic force microscopy and temporal bone specimens. The annular ligament stiffness was determined based on the experimental load-deflection curves. The elastic modulus (Young's modulus) for a simplified geometry was calculated using the Kirchhoff-Love theory for thin plates. The results obtained in this study showed that the annular ligament is a linear elastic material up to deflections of about 100 nm, with a stiffness of about 120 N/m and a calculated elastic modulus of about 1.1 MPa. These parameters can be used in numerical and physical models of the middle and/or inner ear.

  2. Influence of elasticity on the syneresis properties of κ-carrageenan gels.

    Science.gov (United States)

    Ako, Komla

    2015-01-22

    Kappa-carrageenan hydrogels spontaneously release fluid (syneresis) under certain elasticity conditions, which depend on the temperature, the salt concentration in the gel (KCl) and the polysaccharide concentration. Strong and weak gels exhibit notably weak syneresis properties. The maximum syneresis was found at intermediate elasticity where the gel was neither strong nor weak. The variation in the gel composition indicated that the fluid is released according to the thermal retraction coefficient, which depends on the elasticity. Experiments revealed a dynamic equilibrium of the syneresis process where syneresis fluid was not withdrawn. However, once the fluid was removed from the gel surface, the release of solvent starts again if the elasticity is below the compressive pressure in the gel. Therefore, swelling of the gel is suggested as an explanation for the dynamic equilibrium of the syneresis process.

  3. First-principles calculations for elastic properties of rutile TiO2 under pressure

    Institute of Scientific and Technical Information of China (English)

    Zhu Jun; Yu Jing-Xin; Wang Yan-Ju; Chen Xiang-Rong; Jing Fu-Qian

    2008-01-01

    This paper studies the equilibrium structure parameters "and the dependences of the elastic properties on pressure for rutile TiO2 by using the Cambridge Serial Total Energy Package (CASTEP) program in the frame of density functionaltheory. The obtained equilibrium structure parameters, bulk modulus B0 and its pressure derivative B'0 are in good agreement with experiments and the theoretical results. The six independent elastic constants of rutile TiO2 under pressure are theoretically investigated for the first time. It is found that, as pressure increases, the elastic constants C11,C33, C66, C12 and C13 increase, the variation of elastic constant C44 is not obvious and the anisotropy will weaken.

  4. First Principles Calculations for X-ray Resonant Spectra and Elastic Properties

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Yongbin [Iowa State Univ., Ames, IA (United States)

    2004-01-01

    In this thesis, we discuss applications of first principles methods to x-ray resonant spectra and elastic properties calculation. We start with brief reviews about theoretical background of first principles methods, such as density functional theory, local density approximation (LDA), LDA+U, and the linear augmented plane wave (LAPW) method to solve Kohn-Sham equations. After that we discuss x-ray resonant scattering (XRMS), x-ray magnetic circular dichroism (XMCD) and the branching problem in the heavy rare earths Ledges. In the last chapter we discuss the elastic properties of the second hardest material AlMgB14.

  5. Nonlinear capacitance dilatometry for investigating elastic and electromechanical properties of ferroelectrets

    Science.gov (United States)

    Bauer-Gogonea, S.; Camacho-Gonzalez, F.; Schwödiauer, R.; Ploss, B.; Bauer, S.

    2007-09-01

    Nonlinearities in ferroelectret polymer foam capacitors arise from voltage-dependent thickness changes. Such thickness changes are caused by the converse piezoelectric and electrostrictive effects in these soft materials. The authors show that the higher harmonics of the current response during application of a sinusoidal voltage to ferroelectret capacitors provide information on the elastic and electromechanical properties of the foam. The authors demonstrate the potential of this versatile measurement technique by investigating the temperature dependence of the piezoelectric response and by monitoring the changes in the elastic and electromechanical properties during inflation of cellular polypropylene.

  6. Identification of Heterogeneous Elastic Properties in Stenosed Arteries: a Numerical Plane Strain Study

    CERN Document Server

    Franquet, Alexandre; Badel, Pierre; Riche, Rodolphe Le; 10.1080/10255842.2010.547192

    2011-01-01

    Assessing the vulnerability of atherosclerotic plaques requires an accurate knowledge of the mechanical properties of the plaque constituents. It is possible to measure displacements in vivo inside a plaque using magnetic resonance imaging. An important issue is to solve the inverse problem that consists in estimating the elastic properties inside the plaque from measured displacements. This study focuses on the identifiability of elastic parameters e.g. on the compromise between identification time and identification accuracy. An idealised plane strain. Finite Element (FE) model is used. The effects of the FE mesh, of the a priori assumptions about the constituents, of the measurement resolution and of the data noise are numerically investigated.

  7. Inverse method for the determination of elastic properties of coating layers by the surface ultrasonic waves

    Institute of Scientific and Technical Information of China (English)

    CHANG Jun; YANG Zhen; XU Jin-quan

    2005-01-01

    As the coated materials are widely applied in engineering, estimation of the elastic properties of coating layers is of great practical importance. This paper presents an inversion algorithm for determining the elastic properties of coating layers from the given velocity dispersion of surface ultrasonic waves. Based on the dispersive equation of surface waves in layered half space,an objective function dependent on coating material parameters is introduced. The density and wave velocities, which make the object function minimum, are taken as the inversion results. Inverse analyses of two parameters (longitudinal and transverse velocities) and three parameters (the density, longitudinal and transverse velocities) of the coating layer were made.

  8. Tensile and elastic properties of deformed heterogeneous aluminum alloys at room and elevated temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Eskin, D.G. (A.A. Baikov Institute of Metallurgy, Russian Academy of Sciences, 49, Leninskii prosp., Moscow 117334 (Russian Federation)); Toropova, L.S. (A.A. Baikov Institute of Metallurgy, Russian Academy of Sciences, 49, Leninskii prosp., Moscow 117334 (Russian Federation))

    1994-06-15

    In this study we investigated the tensile and elastic properties of deformed binary Al-Ni, Al-Fe, and Al-Cu alloys containing 10-25 vol.% of second phase. Sheets and rods of the alloys exhibit an increase in Young''s modulus of 15%-25%, and tensile properties at room and elevated temperatures comparable with those of conventional medium-strength wrought aluminum alloys. The elastic moduli of the phases were estimated. ((orig.)). Letter-to-the-editor

  9. 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.

  10. Structural,electronic and elastic properties of YCu from first principles

    Institute of Scientific and Technical Information of China (English)

    G.U(g)ur; M.(C)ivi; S.U(g)ur; F.Soyalp; R.Ellialtio(g)lu

    2009-01-01

    The structural,electronic and elastic properties of YCu compound in the B2 (CsC1) phase were investigated using the density functional theory (DFT) within the generalized gradient approximation (GGA).The electronic density of states (DOS) obtained in this way accorded well with the results of a recent study utilizing the full-potential iinearized augmented plane wave (FLAPW) method.We also found that the density of d-states at the Fermi energy was low.The calculated equilibrium properties such as lattice constant,bulk modulus and its first derivative,and the elastic constants were in good agreement with experimental and theoretical results.

  11. Effect of Alternating Bending on Texture, Structure, and Elastic Properties of Sheets of Magnesium Lithium Alloy

    Directory of Open Access Journals (Sweden)

    N. M. Shkatulyak

    2015-01-01

    Full Text Available The effect of low-cycle alternating bending at room temperature on the crystallographic texture, metallographic structure, and elastic properties of sheets of MgLi5 (mass magnesium alloy after warm cross-rolling has been studied. Texture of alloy is differed from the texture of pure magnesium. The initial texture of alloy is characterized by a wide scatter of basal poles in the transverse direction. In the process of alternating bending, the changes in the initial texture and structure (which is represented by equiaxed grains containing twins lead to regular changes in the anisotropy of elastic properties.

  12. Dispersion properties of helical waves in radially inhomogeneous elastic media.

    Science.gov (United States)

    Syresin, D E; Zharnikov, T V; Tyutekin, V V

    2012-06-01

    In this paper, a method describing dispersion curve calculation for waves propagating in radially layered, inhomogeneous isotropic elastic waveguides is developed. Particular emphasis is placed on the helical waves with noninteger azimuthal wavenumbers, which can be potentially applied in such fields as nondestructive evaluation, acoustic tomography, etc., stipulating their practical importance. To solve the problem under consideration, the matrix Riccati equation is formulated for an impedance matrix. The use of the latter yields a simple form of the dispersion equation. Numerical computation of dispersion curves can encounter difficulties, which are due to potential singularities of the impedance matrix and the necessity to separate roots of the dispersion equation. These difficulties are overcome by employing the Cayley transform and invoking the parametric continuation method. The method developed by the authors is demonstrated by calculating dispersion diagrams in support of helical waves for several models of practical interest. Such computations for an inhomogeneous layer and its approximation by a set of homogeneous layers using a transfer matrix and Riccati equation methods revealed higher computational accuracy of the latter. Dispersion curves calculated for layers with different types of inhomogeneity demonstrated significant discrepancies at low frequencies.

  13. Growth and anisotropic transport properties of self-assembled InAs nanostructures in InP

    Energy Technology Data Exchange (ETDEWEB)

    Bierwagen, O.

    2007-12-20

    Self-assembled InAs nanostructures in InP, comprising quantum wells, quantum wires, and quantum dots, are studied in terms of their formation and properties. In particular, the structural, optical, and anisotropic transport properties of the nanostructures are investigated. The focus is a comprehending exploration of the anisotropic in-plane transport in large ensembles of laterally coupled InAs nanostructures. The self-assembled Stranski-Krastanov growth of InAs nanostructures is studied by gas-source molecular beam epitaxy on both nominally oriented and vicinal InP(001). Optical polarization of the interband transitions arising from the nanostructure type is demonstrated by photoluminescence and transmission spectroscopy. The experimentally convenient four-contact van der Pauw Hall measurement of rectangularly shaped semiconductors, usually applied to isotropic systems, is extended to yield the anisotropic transport properties. Temperature dependent transport measurements are performed in large ensembles of laterally closely spaced nanostructures. The transport of quantum wire-, quantum dash- and quantum dot containing samples is highly anisotropic with the principal axes of conductivity aligned to the <110> directions. The direction of higher mobility is [ anti 110], which is parallel to the direction of the quantum wires. In extreme cases, the anisotropies exceed 30 for electrons, and 100 for holes. The extreme anisotropy for holes is due to diffusive transport through extended states in the [ anti 110], and hopping transport through laterally localized states in the [110] direction, within the same sample. A novel 5-terminal electronic switching device based on gate-controlled transport anisotropy is proposed. The gate-control of the transport anisotropy in modulation-doped, self-organized InAs quantum wires embedded in InP is demonstrated. (orig.)

  14. Elastic and Thermal Properties of Silicon Compounds from First-Principles Calculations

    Science.gov (United States)

    Hou, Haijun; Zhu, H. J.; Cheng, W. H.; Xie, L. H.

    2016-07-01

    The structural and elastic properties of V-Si (V3Si, VSi2, V5Si3, and V6Si5) compounds are studied by using first-principles method. The calculated equilibrium lattice parameters and formation enthalpy are in good agreement with the available experimental data and other theoretical results. The calculated results indicate that the V-Si compounds are mechanically stable. Elastic properties including bulk modulus, shear modulus, Young's modulus, and Poisson's ratio are also obtained. The elastic anisotropies of V-Si compounds are investigated via the three-dimensional (3D) figures of directional dependences of reciprocals of Young's modulus. Finally, based on the quasi-harmonic Debye model, the internal energy, Helmholtz free energy, entropy, heat capacity, thermal expansion coefficient, Grüneisen parameter, and Debye temperature of V-Si compounds have been calculated.

  15. First-principles elastic and thermal properties of TiO{sub 2}: a phonon approach

    Energy Technology Data Exchange (ETDEWEB)

    Shojaee, E; Mohammadizadeh, M R, E-mail: zadeh@ut.ac.i, E-mail: mohammadi@nano.ipm.ac.i [Superconductivity Research Laboratory (SRL), Department of Physics, University of Tehran, North Karegar Avenue, PO Box 14395-547, Tehran (Iran, Islamic Republic of)

    2010-01-13

    Elastic and thermal properties of the TiO{sub 2} lattice in anatase and rutile phases were studied in the framework of density functional perturbation theory within the local density approximation (LDA) and generalized-gradient approximation (GGA). The full elastic constant tensors of the polymorphs were calculated by linear fits to the acoustic branches of the phonon band structure near the center of the first Brillouin zone in symmetry directions of the crystals. It was observed that the elastic constants within the GGA are in better agreement with experiment. In addition, the Born effective charges, dielectric tensor, heat capacity, mean sound velocity and Debye temperature were calculated. The heat capacity at room temperature and the Debye temperature within the LDA are in better agreement with the experimental results. Therefore, using the phonon band structure and the density of states, one can obtain the important mechanical and thermal properties of materials.

  16. Electronic, thermodynamic and elastic properties of pyrite RuO_2

    Institute of Scientific and Technical Information of China (English)

    Yang Ze-Jin; Guo Yun-Dong; Wang Guang-Chang; Li Jin; Dai Wei; Liu Jin-Chao; Cheng Xin-Lu; Yang Xiang-Dong

    2009-01-01

    This paper calculates the elastic, thermodynamic and electronic properties of pyrite (Pa3) RuO_2 by the plane-wave pseudopotential density functional theory (DFT) method. The lattice parameters, normalized elastic constants, Cauchy pressure, brittle-ductile relations, heat capacity and Debye temperature are successfully obtained. The Murnaghan equation of state shows that pyrite RuO_2 is a potential superhard material. Internal coordinate parameter increases with pressure, which disagrees with experimental data. An analysis based on electronic structure and the pseudogap reveals that the bonding nature in RuO_2 is a combination of covalent, ionic and metallic bonding. A study of the elastic properties indicates that the pyrite phase is isotropic under usual conditions. The relationship between brittleness and ductility shows that pyrite RuO_2 behaves in a ductile matter at zero pressure and the degree of ductility increases with pressure.

  17. Moisture Comfort and Antibacterial Properties of Elastic Warp-Knitted Fabrics

    Directory of Open Access Journals (Sweden)

    Yu Zhi-Cai

    2015-03-01

    Full Text Available Multifunction elastic warp-knitted fabrics were fabricated on a crochet machine with the use of metal composite yarns/viscose yarn and bamboo polyester/ crisscross-section polyester hybrid yarns as the front face and back face of the knitted fabric structure, respectively. We investigated the effect of the blend ratio of bamboo charcoal/ crisscross-section polyester multiply yarns on the fabric's moisture comfort properties, such as water vapour transmission (WVT, water evaporation rate (WER, and water absorbency. The results showed that blending ratio significantly influenced WVT and WER. Moreover, antibacterial activity of the elastic warp- knitted fabric was tested against Staphylococcus aureus and Escherichia coli in accordance with AATCC 90-2011. Finally, the extension- stress value curves were used to analyse the elastic stretching property, and the fabric exhibited greater breaking elongation and lower stress value in the walewise than in the weft direction.

  18. Prediction of electronic, structural and elastic properties of the hardest oxide: TiO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Caravaca, M.A.; Mino, J.C. [Departamento de Fisico-Quimica, Facultad de Ingenieria, UNNE, Resistencia (Argentina); Casali, R.A. [Departamento de Fisica, Facultad de Ciencias Exactas, Naturales y Agrimensura, UNNE, Corrientes (Argentina)

    2009-03-15

    This work combines the theory of elasticity with first principles quantum mechanic calculations to predict the electronic, structural and elastic properties: elastic constants, bulk moduli of the TiO{sub 2} (Titania) in the Pnma phase. Band-structure shows a direct gap in {gamma} which increases its value under hydrostatic pressure. It has two regimes: in the range 0-50 GPa the band-gap has a negative second pressure derivative and changes its sign in the range 50-100 GPa. The band gap becomes indirect at pressures above 150 GPa. This phase improves its mechanical stability and insulator properties under extreme conditions of hydrostatic pressures. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  19. On the theory of elastic properties of two-dimensional hexagonal structures

    Science.gov (United States)

    Davydov, S. Yu.; Posrednik, O. V.

    2015-04-01

    The properties of graphene and graphene-like materials (GLMs) have been considered using the Harrison bond-orbital method, within which the stability of GLMs with a high bond ionicity has been analyzed. For purely covalent crystals (graphene, silicene, and germanen) and GLMs with a low bond ionicity, the anharmonic elastic properties (Grüneisen constant, pressure and temperature dependences of the bulk modulus) have been considered. Within the Keating force constant model, the second- and third-order elastic constants and the pressure dependence of the second-order elastic constants have been determined. The parameters of the previously proposed empirical potential have been determined. The results obtained are compared with the available experimental data and calculation results of other studies.

  20. Elastic and thermal properties of silicon compounds from first-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Hou, Haijun; Zhu, H.J. [Yancheng Institute of Technology (China). School of Materials Engineering; Cheng, W.H. [Yancheng Institute of Technology (China). Dept. of Light Chemical Engineering; Xie, L.H. [Sichuan Normal Univ., Chengdu (China). Inst. of Solid State Physics and School of Physics and Electronic Engineering

    2016-11-01

    The structural and elastic properties of V-Si (V{sub 3}Si, VSi{sub 2}, V{sub 5}Si{sub 3}, and V{sub 6}Si{sub 5}) compounds are studied by using first-principles method. The calculated equilibrium lattice parameters and formation enthalpy are in good agreement with the available experimental data and other theoretical results. The calculated results indicate that the V-Si compounds are mechanically stable. Elastic properties including bulk modulus, shear modulus, Young's modulus, and Poisson's ratio are also obtained. The elastic anisotropies of V-Si compounds are investigated via the three-dimensional (3D) figures of directional dependences of reciprocals of Young's modulus. Finally, based on the quasi-harmonic Debye model, the internal energy, Helmholtz free energy, entropy, heat capacity, thermal expansion coefficient, Grueneisen parameter, and Debye temperature of V-Si compounds have been calculated.

  1. Numerical Analysis of the Elastic Properties of 3D Needled Carbon/Carbon Composites

    Science.gov (United States)

    Tan, Y.; Yan, Y.; Li, X.; Guo, F.

    2017-09-01

    Based on the observation of microstructures of 3D needled carbon/carbon (C/C) composites, a model of their representative volume element (RVE) considering the true distribution of fibers is established. Using the theories of mesoscopic mechanics and introducing periodic boundary conditions for displacements, their elastic properties, with account of porosity, are determined by finite-element methods. Quasi-static tensile tests were carried out, and the numerical predictions were found to be in good agreement with test results. This means that the RVE model of 3D needled C/C composites can predict their elastic properties efficiently. The effects of needling density, radius of needled fibers, and thickness ratio of a short-cut fiber web and a weftless ply on the elastic constants of the composites are analyzed.

  2. Mechanical properties of concrete with SAP. Part II: Modulus of elasticity

    DEFF Research Database (Denmark)

    Hasholt, Marianne Tange; Jespersen, Morten H. Seneka; Jensen, Ole Mejlhede

    2010-01-01

    In this study, focus is on the modulus of elasticity for concrete with superabsorbent polymers (SAP). The results show that based on composite theory it is possible to establish a model, which predicts overall concrete elasticity. The model assumes a three phase material of aggregate, cement paste......, and air with volume fractions of the three phases as well as elastic properties of paste and aggregates as input parameters. Addition of SAP changes the E-modulus, because it both has an influence on properties of the cement paste and on the volume of air voids. Here, the E-modulus is an example...... a more or less empirical relation. The results show that when introducing SAP, models of a more empirical nature can be misleading (and e.g. relations stated in codes are often of this empirical nature). The reason is twofold: First, the empirical models often have a general problem with the effect...

  3. Mechanical properties of concrete with SAP. Part II: Modulus of elasticity

    DEFF Research Database (Denmark)

    Hasholt, Marianne Tange; Jespersen, Morten H. Seneka; Jensen, Ole Mejlhede

    2010-01-01

    In this study, focus is on the modulus of elasticity for concrete with superabsorbent polymers (SAP). The results show that based on composite theory it is possible to establish a model, which predicts overall concrete elasticity. The model assumes a three phase material of aggregate, cement paste......, and air with volume fractions of the three phases as well as elastic properties of paste and aggregates as input parameters. Addition of SAP changes the E-modulus, because it both has an influence on properties of the cement paste and on the volume of air voids. Here, the E-modulus is an example...... a more or less empirical relation. The results show that when introducing SAP, models of a more empirical nature can be misleading (and e.g. relations stated in codes are often of this empirical nature). The reason is twofold: First, the empirical models often have a general problem with the effect...

  4. AB INITIO CALCULATION OF THE ELASTIC AND OPTICAL PROPERTIES OF AL3SC COMPOUND

    Institute of Scientific and Technical Information of China (English)

    M. Song; D.H. Xiao

    2007-01-01

    The ab initio method has been performed to explore the elastic and optical properties of Al3Sccompound, based on a plane wave pseudopotential method. It can be seen that the calculatedequilibrium lattice parameter and elastic constants are in reasonable agreement with the previousexperimental data. The elastic constants satisfy the requirement for mechanical stability in the cubicstructure of the Al3Sc compound. The optical property calculations show that a strong absorptivepeak exists from 0-15eV and a relative small absorptive peak exists around 30eV. The form iscaused by the optical transitions between high s, p, and d bands, and the latter results from theoptical transitions from high s, p, and d bands to the low 2p band.

  5. First-Principles Calculations of Elastic and Thermal Properties of Molybdenum Disilicide

    Institute of Scientific and Technical Information of China (English)

    ZHU Zun-Lue; FU Hong-Zhi; SUN Jin-Feng; LIU Yu-Fang; SHI De-Heng; XU Guo-Liang

    2009-01-01

    The first-principles plane-wave pseudopotential method using the generalized gradient approximation within the framework of density functional theory is applied to anaylse the equilibrium lattice parameters,six independent elastic constants,bulk moduli,thermal expansions and heat capacities of MoSi2.The quasi-harmonic Debye model,using a set of total energy versus cell volume obtained with the plane-wave pseudopotential method,is applied to the study of the elastic properties,thermodynamic properties and vibrational effects.The calculated zero pressure elastic constants are in overall good agreement with the experimental data.The calculated heat capacities and the thermal expansions agree well with the observed values under ambient conditions and those calculated by others.The results show that the temperature has hardly any effect under high pressure.

  6. Structural and elastic properties of Ce2O3 under pressure from LDA+ U method

    Science.gov (United States)

    Qi, Yuan-Yuan; Niu, Zhen-Wei; Cheng, Cai; Cheng, Yan

    2013-08-01

    We investigate the structural and elastic properties of hexagonal Ce2O3 under pressure using LDA+ U scheme in the frame of density functional theory (DFT). The obtained lattice constants and bulk modulus agree well with the available experimental and other theoretical data. The pressure dependences of normalized lattice parameters a/a 0 and c/c 0, ratio c/a, and normalized primitive volume V/V 0 of Ce2O3 are obtained. Moreover, the pressure dependences of elastic properties and three anisotropies of elastic waves of Ce2O3 are investigated for the first time. We find that the negative value of C 44 is indicative of the structural instability of the hexagonal structure Ce2O3 at zero temperature and 30 GPa. Finally, the density of states (DOS) of Ce2O3 under pressure is investigated.

  7. Elastic properties of sulphur and selenium doped ternary PbTe alloys by first principles

    Energy Technology Data Exchange (ETDEWEB)

    Bali, Ashoka, E-mail: rcmallik@physics.iisc.ernet.in; Chetty, Raju, E-mail: rcmallik@physics.iisc.ernet.in; Mallik, Ramesh Chandra, E-mail: rcmallik@physics.iisc.ernet.in [Thermoelectric Materials and Devices Laboratory, Department of Physics, Indian Institute of Science, Bangalore-560012 (India)

    2014-04-24

    Lead telluride (PbTe) is an established thermoelectric material which can be alloyed with sulphur and selenium to further enhance the thermoelectric properties. Here, a first principles study of ternary alloys PbS{sub x}Te{sub (1−x)} and PbSe{sub x}Te{sub (1−x)} (0≤x≤1) based on the Virtual Crystal Approximation (VCA) is presented for different ratios of the isoelectronic atoms in each series. Equilibrium lattice parameters and elastic constants have been calculated and compared with the reported data. Anisotropy parameter calculated from the stiffness constants showed a slight improvement in anisotropy of elastic properties of the alloys over undoped PbTe. Furthermore, the alloys satisfied the predicted stability criteria from the elastic constants, showing stable structures, which agreed with the previously reported experimental results.

  8. Determination of the Elastic Properties of Tomato Fruit Cells with an Atomic Force Microscope

    Directory of Open Access Journals (Sweden)

    Andrzej Kurenda

    2013-09-01

    Full Text Available Since the mechanical properties of single cells together with the intercellular adhesive properties determine the macro-mechanical properties of plants, a method for evaluation of the cell elastic properties is needed to help explanation of the behavior of fruits and vegetables in handling and food processing. For this purpose, indentation of tomato mesocarp cells with an atomic force microscope was used. The Young’s modulus of a cell using the Hertz and Sneddon models, and stiffness were calculated from force-indentation curves. Use of two probes of distinct radius of curvature (20 nm and 10,000 nm showed that the measured elastic properties were significantly affected by tip geometry. The Young’s modulus was about 100 kPa ± 35 kPa and 20 kPa ± 14 kPa for the sharper tip and a bead tip, respectively. Moreover, large variability regarding elastic properties (>100% among cells sampled from the same region in the fruit was observed. We showed that AFM provides the possibility of combining nano-mechanical properties with topography imaging, which could be very useful for the study of structure-related properties of fruits and vegetables at the cellular and sub-cellular scale.

  9. The elastic properties of the lithosphere beneath Scotian basin

    Science.gov (United States)

    Zheng, Ying; Arkani-Hamed, Jafar

    2002-02-01

    To assess the possibility that the North Atlantic Ocean may subduct at Scotian basin east of Canada, we investigate the present compensation state of this deep basin. A Fourier domain analysis of the bathymetry, depth to basement and observed gravity anomalies over the oceanic area east of Nova Scotia indicates that the basin is not isostatically compensated. Moreover, the analysis emphasizes that in addition to the sediments, density perturbations exist beneath the basin. The load produced by the sediments and these density perturbations must have been supported by the lithosphere. We simulate the flexure of the lithosphere under this load by that of a thin elastic plate overlying an inviscid interior. It is shown that a plate with a uniform rigidity does not adequately represent the lithosphere beneath the basin as well as the oceanic lithosphere far from the basin, rather the rigidity of the lithosphere directly beneath the basin is about one to two orders of magnitude smaller than elsewhere. We relate this weakening to the thermal blanketing effects of the thick sediments and the fact that the lithosphere has a temperature-dependent rheology. We suggest that this weak zone would have a controlling effect on the reactivation of normal faults at the hinge zone of the basin, that were formed during the break-up of Africa and North America and were locked in the early stages after the break-up. The weak zone would facilitate reactivation of the faults if tensional stresses were produced by possible reorientation of the spreading direction of the North Atlantic Ocean in the future. The reactivation of the faults would create a free boundary condition at the hinge zone, allowing further bending of the lithosphere beneath the basin and juxtaposition of this lithosphere to the mantle beneath the continent. This may provide a favorable situation for initiation of slow subduction due to subsequent compressional forces.

  10. Study of texture effect on elastic properties of Au thin films by x-ray diffraction and Brillouin light scattering

    Energy Technology Data Exchange (ETDEWEB)

    Faurie, D [LPMTM, UPR 9001 CNRS, Universite Paris-Nord, 93430 Villetaneuse (France); Djemia, P [LPMTM, UPR 9001 CNRS, Universite Paris-Nord, 93430 Villetaneuse (France); Renault, P-O [LMP, UMR 6630 CNRS, Universite de Poitiers, 86962 Futuroscope (France); Roussigne, Y [LPMTM, UPR 9001 CNRS, Universite Paris-Nord, 93430 Villetaneuse (France); Cherif, S M [LPMTM, UPR 9001 CNRS, Universite Paris-Nord, 93430 Villetaneuse (France); Bourhis, E Le [LMP, UMR 6630 CNRS, Universite de Poitiers, 86962 Futuroscope (France); Goudeau, Ph [LMP, UMR 6630 CNRS, Universite de Poitiers, 86962 Futuroscope (France)

    2007-12-15

    We have shown a strong texture effect on elastic properties of gold thin films deposited by physical vapour deposition. Elastic properties of non-textured and {l_brace}111{r_brace} fiber textured gold thin films were investigated by x-ray diffraction combined with in-situ tensile testing and Brillouin light scattering. These static and dynamic methods allowed characterizing the local and macroscopic elastic behavior of gold films.

  11. Statistical Anisotropy from Anisotropic Inflation

    CERN Document Server

    Soda, Jiro

    2012-01-01

    We review an inflationary scenario with the anisotropic expansion rate. An anisotropic inflationary universe can be realized by a vector field coupled with an inflaton, which can be regarded as a counter example to the cosmic no-hair conjecture. We show generality of anisotropic inflation and derive a universal property. We formulate cosmological perturbation theory in anisotropic inflation. Using the formalism, we show anisotropic inflation gives rise to the statistical anisotropy in primordial fluctuations. We also explain a method to test anisotropic inflation using the cosmic microwave background radiation (CMB).

  12. EVALUATION OF ELASTICITY AND MECHANICAL PROPERTIES OF BREAD DOUGH MADE WITH REPLACED FLOUR POTATO (IPOMOEA BATATA

    Directory of Open Access Journals (Sweden)

    Ely Fernando Sacón Vera

    2016-10-01

    Full Text Available The effect of the incorporation of sweet potato flour, with 30% replacement in 1kg of wheat flour was evaluated to determine the behavior of elastic and mechanical properties during the kneading and baking stage of bread. For the evaluation the following varieties were studied: Morado Brazil, Morado Ecuador, Guayaco Morado, Ina and Toquecita, and the evaluated properties were: texture (hardness, elasticity, firmness, chewiness measured by a texture meter Bloomfield and volume was measured by INEN standard (NTE INEN 0530: 80. The design employed was completely at random, using analysis of variance at 5% significance level. The results obtained showed that elasticity attribute in texture variable presented significant differences (P <0.05. Analysis concluded that including Toquecita flour in the mixture to form the dough, had the highest elasticity of 13.32mm. However, Morado Ecuador variety flour presented a 6.24 mm elasticity value, ideal for both the malleability of the dough and the freshness of the bread, and concerning volume, the inclusion of Ecuador Morado flour and Ina in the formulation of bread, showed an increase in volume at 93.30 and 93.67cm3 respectively, close to the normed value for wheat flour bread.

  13. Revisit of the relationship between the elastic properties and sound velocities at high pressures

    Science.gov (United States)

    Wang, Chenju; Xiang, Shikai; Gu, Jianbing; Kuang, Xiaoyu; Yu, Yin; Yan, Xiaozhen; Chen, Haiyan

    2014-09-01

    The second-order elastic constants and stress-strain coefficients are defined, respectively, as the second derivatives of the total energy and the first derivative of the stress with respect to strain. Since the Lagrangian and infinitesimal strain are commonly used in the two definitions above, the second-order elastic constants and stress-strain coefficients are separated into two categories, respectively. In general, any of the four physical quantities is employed to characterize the elastic properties of materials without differentiation. Nevertheless, differences may exist among them at non-zero pressures, especially high pressures. Having explored the confusing issue systemically in the present work, we find that the four quantities are indeed different from each other at high pressures and these differences depend on the initial stress applied on materials. Moreover, the various relations between the four quantities depicting elastic properties of materials and high-pressure sound velocities are also derived from the elastic wave equations. As examples, we calculated the high-pressure sound velocities of cubic tantalum and hexagonal rhenium using these nexus. The excellent agreement of our results with available experimental data suggests the general applicability of the relations.

  14. Elastic modulus and viscoelastic properties of full thickness skin characterised at micro scales.

    Science.gov (United States)

    Crichton, Michael L; Chen, Xianfeng; Huang, Han; Kendall, Mark A F

    2013-03-01

    The recent emergence of micro-devices for vaccine delivery into upper layers of the skin holds potential for increased immune responses using physical means to target abundant immune cell populations. A challenge in doing this has been a limited understanding of the skin elastic properties at the micro scale (i.e. on the order of a cell diameter; ~10 μm). Here, we quantify skin's elastic properties at a micro-scale by fabricating customised probes of scales from sub- to super-cellular (0.5 μm-20 μm radius). We then probe full thickness skin; first with force-relaxation experiments and subsequently by elastic indentations. We find that skin's viscoelastic response is scale-independent: consistently a ~40% decrease in normalised force over the first second, followed by further 10% reduction over 10 s. Using Prony series and Hertzian contact analyses, we determined the strain-rate independent elastic moduli of the skin. A high scale dependency was found: the smallest probe encountered the highest elastic modulus (~30 MPa), whereas the 20 μm radius probe was lowest (below 1 MPa). We propose that this may be a result of the load distribution in skin facilitated by the hard corneocytes in the outermost skin layers, and softer living cell layers below. Copyright © 2012 Elsevier Ltd. All rights reserved.

  15. Modeling of elastic-strength properties of elastomers

    Directory of Open Access Journals (Sweden)

    O. V. Karmanova

    2016-01-01

    Full Text Available Model "structure-property", which takes into account the structural heterogeneity of polymer compositions has been developed. Experimental compositions based on styrene-butadiene rubber SCS 30ARK and crosslinked, high viscosity polymer (high-molecular filler - VMN in different proportions, as well as softeners (industrial oil I-12A, oil PN-6, low-molecular polybutadiene PBN were investigated. Samples that differ significantly in viscosity were obtained. The rubber blends and vulcanizates, based on the experimental of polymer compositions, were prepared. Physico-mechanical properties - tensile strength, elongation at break, Shore A. A hardness were determined. For describe the physical and mechanical properties of polymers logarithmic additivity rule was used. The properties of the polymer composition (PС were determined by a single dominant component (resin composition consisting of a high rubber and a filler and further components (softeners. Identification algorithm consists of four steps. The implementation of this algorithm is carried out using experimental design techniques. Estimation of the unknown parameters in the equation was carried out using the method of least squares. Quality evaluation of the model was conducted with the criteria Fisher, turning points, the Durbin-Watson, R / S-criterion. It is found that the model adequately describes the change of physicomechanical properties depending on the composition of polymer compositions. 3d graphics of the physical-mechanical properties of the polymer compositions were built. This allowed us to estimate the contribution of the dominant component and optional components (including combinations thereof to change the parameters. It has been established that the introduction of rubber in total more than 50% of the components (BMH and softeners reduced conventional tensile strength and dramatically increases the relative error of model calculations. (BMH and softeners

  16. Anisotropic magnetic properties and superzone gap formation in CeGe single crystal.

    Science.gov (United States)

    Das, Pranab Kumar; Kumar, Neeraj; Kulkarni, R; Dhar, S K; Thamizhavel, A

    2012-04-11

    Single crystals of CeGe and its non-magnetic analog LaGe have been grown by the Czochralski method. The CeGe compound crystallizes in the orthorhombic FeB-type crystal structure with the space group Pnma (#62). The anisotropic magnetic properties have been investigated for well oriented single crystals by measuring the magnetic susceptibility, electrical resistivity and heat capacity. It has been found that CeGe orders antiferromagnetically at 10.5 K. Both transport and magnetic studies have revealed large anisotropy, reflecting the orthorhombic crystal structure. The magnetization data at 1.8 K reveal metamagnetic transitions along the [010] direction at 4.8 and 6.4 T and along the [100] direction at a critical field of 10.7 T, while the magnetization along the [001] direction increases linearly without any anomaly up to a field of 16 T. From the magnetic susceptibility and the magnetization measurements it has been found that the [010] direction is the easy axis of magnetization. The electrical resistivity along the three crystallographic directions exhibits an upturn at T(N), indicating superzone gap formation below T(N) in this compound. We have performed crystal electric field analysis on the magnetic susceptibility and the heat capacity data and found that the ground state is a doublet, and the energies of splitting from the ground state to the first and second excited doublet states were estimated to be 39 and 111 K, respectively.

  17. Elastic property ratios of a triple-stranded stainless steel arch wire.

    Science.gov (United States)

    Kusy, R P; Dilley, G J

    1984-09-01

    The general elastic property ratio equations for nth-stranded wires are derived and then specified for the case of a triple-stranded arch wire. Several parameters are defined, including the modulus of elasticity (E) and the helical spring (kappa) and bending plane (lambda) shape factors. Thereafter, the elastic property ratios of a wide range of compositional/configurational combinations are determined, using a representative triple-stranded 0.0175 inch (3 X 0.008 inch) stainless steel wire as the base line. These results show that the particular 3 X 0.008 inch wire studied possesses the stiffness of an 0.010 inch stainless steel wire but has at least 20% more strength and range. Furthermore, the stiffness of the 3 X 0.008 inch multistranded wire is similar to an 0.016 inch nickel-titanium wire but only 40% that of an 0.016 inch beta titanium wire. When these elastic property ratios are compared with the previous results reported by Thurow, Burstone, and Kusy, differences are noted which can be explained on the basis of the mechanical property values and/or the geometric modeling assumed.

  18. Thermo-Mechanical FE Simulation & Characterization of MoGr’s Elastic Properties

    CERN Document Server

    de Bras de Fer, Thibault

    2014-01-01

    This report summarizes a two-month’s internship within the EN-MME department, focusing on Finite Element simulations for the Collimation project and PSB H0/H- dump upgrade, and the progress done on the characterization of Molybdenum-Graphite elastic properties.

  19. Tensile and elastic properties of segmented copolyetheresteramids with uniform aramid units

    NARCIS (Netherlands)

    Niesten, M.C.E.J.; Gaymans, R.J.

    2001-01-01

    The tensile and elastic properties of segmented copolyetheresteramides with crystallisable aramid units of uniform length were investigated. The aramid concentration ranged from 3 to 30 wt%. The effect of type of poly(tetramethyleneoxide) (PTMO) segment, having a different tendency to crystallise,

  20. Physical and elastic properties of marine sediments off Bombay, India

    Digital Repository Service at National Institute of Oceanography (India)

    SubbaRaju, L.V.; Ramana, Y.V.

    45'N and 21 degrees 00N. Representative core samples preserving their natural state were also retrieved from the region in the water depths ranging from 5 to 70 m for the determination of physical properties in the laboratory. Data on the physical...

  1. A Nanoscale Simulation Study of Elastic Properties of Gaspeite

    Directory of Open Access Journals (Sweden)

    Benazzouz Brahim-Khalil

    2015-02-01

    Full Text Available The study of structural and mechanical properties of carbonate rock is an interesting subject in engineering and its different applications. In this paper, the crystal structure of gaspeite (NiCO3 is investigated by carrying out molecular dynamics simulations based on energy minimization technique using an interatomic interaction potential.

  2. Effect of Coulomb interactions and Hartree-Fock exchange on structural, elastic, optoelectronic and magnetic properties of Co2MnSi Heusler: A comparative study

    Science.gov (United States)

    Lantri, T.; Bentata, S.; Bouadjemi, B.; Benstaali, W.; Bouhafs, B.; Abbad, A.; Zitouni, A.

    2016-12-01

    Using the first-principle calculations, we have investigated the structural, elastic, optoelectronic and magnetic properties of Co2MnSi Heusler alloy. Based on the density functional theory (DFT) and hiring the full-potential linearized augmented plane wave (FP-LAPW) method, we have used five approaches: the Hybrid on-site exact exchange, the Local Spin Density Approximation (LSDA), the LSDA+U, the Generalized Gradient Approximation GGA and GGA+U; where the Hubbard on-site Coulomb interaction correction U is calculated by constraint local density approximation for Co and Mn atoms. Our results show that the highly-ordered Co2MnSi alloy is a ductile, stiff and anisotropic material. It has a half-metallic ferromagnetic character with an integer magnetic moment of 5 μB which is in good agreement with the Slater-Pauling rule.

  3. Environmental and centrifugal factors influencing the visco-elastic properties of oral biofilms in vitro.

    Science.gov (United States)

    Peterson, Brandon W; Busscher, Henk J; Sharma, Prashant K; van der Mei, Henny C

    2012-01-01

    Centrifugal compaction causes changes in the surface properties of bacterial cells. It has been shown previously that the surface properties of planktonic cells change with increasing centrifugal compaction. This study aimed to analyze the influences of centrifugal compaction and environmental conditions on the visco-elastic properties of oral biofilms. Biofilms were grown out of a layer of initially adhering streptococci, actinomyces or a combination of these. Different uni-axial deformations were induced on the biofilms and the load relaxations were measured over time. Linear-Regression-Analysis demonstrated that both the centrifugation coefficient for streptococci and induced deformation influenced the percentage relaxation. Centrifugal compaction significantly influenced relaxation only upon compression of the outermost 20% of the biofilm (p centrifugal compaction of initially adhering, centrifuged bacteria extend to the visco-elastic properties of biofilms, indicating that the initial bacterial layer influences the structure of the entire biofilm.

  4. Structural phase transition and elastic properties of hafnium dihydride: A first principles study

    Energy Technology Data Exchange (ETDEWEB)

    Santhosh, M., E-mail: rrpalanichamy@gmail.com; Rajeswarapalanichamy, R., E-mail: rrpalanichamy@gmail.com; Sudhapriyanga, G.; Murugan, A.; Chinthia, A. Jemmy [Department of Physics, N.M.S.S.V.N College, Madurai, Tamil Nadu-625019 (India); Kanagaprabha, S. [Department of Physics, Kamaraj College, Tuticorin, Tamil Nadu-628003 (India); Iyakutti, K. [Department of Physics and Nanotechnology, SRM University, Chennai, Tamil Nadu-603203 (India)

    2014-04-24

    The structural and elastic properties of Hafnium dihydride (HfH{sub 2}) are investigated by first principles calculation based on density functional theory using Vienna ab-initio simulation package (VASP). The calculated lattice parameters are in good agreement with the available results. A pressure induced structural phase transition from CaF{sub 2} to FeS{sub 2} phase is observed in HfH{sub 2} at 10.75 GPa. The calculated elastic constants indicate that this hydride is mechanically stable at ambient condition.

  5. First-principles investigation of the electronic, elastic and thermodynamic properties of VC under high pressure

    Institute of Scientific and Technical Information of China (English)

    Hao Ai-Min; Zhou Tie-Jun; Zhu Yan; Zhang Xin-Yu; Liu Ri-Ping

    2011-01-01

    An investigation of the electronic, elastic and thermodynamic properties of VC under high pressure has been conducted using first-principles calculations based on density functional theory (DFT)with the plane-wave basis set,as implemented in the CASTEP code. At elevated pressures, VC is predicted to undergo a structural transition from a relatively open NaCl-type structure to a more dense CsCl-type one. The predicted transition pressure is 520 GPa.The elastic constant, Debye temperature and heat capacity each as a function of pressure and/or temperature of VC are presented for the first time.

  6. Quantum Mechanical Calculations Of Elastic Properties Of Doped Tetragonal Yttria-Stabilized Zirconium Dioxide

    Directory of Open Access Journals (Sweden)

    Yuriy Natanzon

    2008-01-01

    Full Text Available We report first principles calculations of the electronic and elastic properties of yttriastabilized tetragonal zirconium dioxide doped with metal oxides like: GeO2, TiO2, SiO2,MgO and Al2O3. It is shown that addition of such dopants affects selected elastic propertiesof ZrO2, which is driven by the attraction of electron density by dopant atom and creationof stronger dopant–oxygen bonds. This effect contributes to the increase of superplasticityof doped material.

  7. Microstructure, magnetic and elastic properties of electrodeposited Cu+Ni nanocomposites coatings

    OpenAIRE

    A. Chrobak; M. Kubisztal; J. Kubisztal; E. Chrobak; Haneczok, G.

    2011-01-01

    Purpose: The paper presents systematic studies of fabrication and properties of Cu+Ni nanocomposite coatings obtained by electrodeposition technique. Special attention is paid to establish the influence of fabrication conditions and microstructure of the coating material on its magnetic and elastic properties. Design/methodology/approach: The results were obtained by applying electrochemical impedance spectroscopy (EIS, PARSTAT 2273, roughness factor), magnetization versus temperature measure...

  8. Microscale elastic properties of interphases in polymer matrix composites: correlating spatial mapping with cure history

    OpenAIRE

    Kieffer, John,; Aldridge, Michael; Sebeck, Katherine

    2014-01-01

    Polymer matrix composites with textile reinforcement are used in a wide range of aerospace and industrial applications. Continuum mechanical predictions of the composite behaviors have been inaccurate and resorted to empirical corrections, because of the lack of polymer materials property information. The length scales involved make experimental measurement of the elastic properties of the matrix within fiber tows and proximity to individual fibers difficult. However, micro-Brillouin and Rama...

  9. Anisotropic Thermal Properties of Nanostructured Magnetic, Carbon and Hybrid Magnetic - Carbon Materials

    Science.gov (United States)

    Ramirez, Sylvester

    anisotropy of the thermal conductivity, K/K ⊥ ˜ 675, which is substantially larger even than in the high-quality graphite. The strongly anisotropic heat conduction properties of these films can be useful for the thermal filler applications. The results obtained for the nanostructured magnetic and hybrid materials are important for the renewable energy and electronic applications of permanent magnets.

  10. Elastic and thermodynamic properties of Rh and Rh{sub 3}Zr under pressure from first-principles calculation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Suhong [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); College of Science, Yanshan University, Qinhuangdao 066004 (China); Zhang, Xinyu, E-mail: xyzhang@ysu.edu.cn [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Zhu, Yan [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); College of Physics and Chemistry, Hebei Normal University of Science and Technology, Qinhuangdao 066004 (China); Ma, Mingzhen [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Qin, Jiaqian [Metallurgy and Materials Science Research Institute, Chulalongkorn University, Bangkok 10330 (Thailand); Liu, Riping [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)

    2015-01-15

    To give guidance for developing Rh-based superalloys, systematic investigations on structural, elastic and thermodynamic properties of Rh and Rh{sub 3}Zr are conducted by first-principles calculations. The pressure dependence of the basic mechanical parameters is presented covering elastic constants, bulk modulus, shear modulus, Young's modulus, Poisson's ratio, aggregate sound velocities and elastic anisotropy. Additionally, the mechanical stability and ductility/brittleness are also assessed. Compared with Rh, it is found that Rh{sub 3}Zr has higher ductility but lower elastic moduli, lower aggregate sound velocities and higher elastic anisotropy. The variations of the thermal properties including the normalized volume, bulk modulus, thermal expansion coefficient and heat capacity of Rh and Rh{sub 3}Zr in wide pressure (0–40 GPa) and temperature (0–2200 K) ranges are also predicted and analyzed, and a remarkable consistency with experimental results is obtained. - Highlights: • Structural, elastic and thermodynamic properties of Rh and Rh{sub 3}Zr are investigated. • Pressure effects on the structural and elastic properties are presented. • Rh{sub 3}Zr has higher ductility/elastic anisotropy but lower elastic moduli than Rh. • The thermal properties in wide pressure and temperature ranges are predicted.

  11. Thermophysical and elastic properties of titanium carbonitrides containing molybdenum and tungsten

    Energy Technology Data Exchange (ETDEWEB)

    Matsuda, Tetsushi, E-mail: t_matsuda@jfcc.or.jp [Japan Fine Ceramics Center, 2-4-1 Mutsuno, Atsuta-ku, Nagoya 456-8587 (Japan); Matsubara, Hideaki [Japan Fine Ceramics Center, 2-4-1 Mutsuno, Atsuta-ku, Nagoya 456-8587 (Japan)

    2013-06-15

    Highlights: ► (Ti,Me)(C,N) sintered bodies were prepared by hot-pressing. ► The thermophysical and elastic properties of the carbonitrides were evaluated. ► The porosities of the specimens were less than 1%. ► The Young’s modulus decreases with increasing Mo content. ► The Debye temperatures decrease with increasing Mo/W content. -- Abstract: Titanium carbonitride has good mechanical properties such as high hardness and high Young’s modulus. It is a major raw material for Ti(C,N)-based cermets, and their properties are strongly dependent on the properties of titanium carbonitrides. The thermophysical and elastic properties of the carbonitride need to be systematically investigated, so as to be used for designing cutting tools and wear-resistant tools. The thermophysical and elastic properties of (Ti,Me)(C,N) (Me = Mo. W) sintered bodies prepared by hot-pressing at 2200 °C were evaluated. The porosities of the specimens were less than 1%. The Young’s modulus decreased with increasing Mo, which seems to be the result of vacancy formation. The thermal expansion coefficient, the thermal conductivity and the Debye temperatures of (Ti,Me)(C,N) sintered bodies decreased with increasing Mo/W content.

  12. Theoretical study of elastic, mechanical and thermodynamic properties of MgRh intermetallic compound

    Directory of Open Access Journals (Sweden)

    S. Boucetta

    2014-03-01

    Full Text Available In the last years, Magnesium alloys are known to be of great technological importance and high scientific interest. In this work, density functional theory plane-wave pseudo potential method, with local density approximation (LDA and generalized gradient approximation (GGA are used to perform first-principles quantum mechanics calculations in order to investigate the structural, elastic and mechanical properties of the intermetallic compound MgRh with a CsCl-type structure. Comparison of the calculated equilibrium lattice constant and experimental data shows good agreement. The elastic constants were determined from a linear fit of the calculated stress–strain function according to Hooke's law. From the elastic constants, the bulk modulus B, shear modulus G, Young's modulus E, Poisson's ratio σ, anisotropy factor A and the ratio B/G for MgRh compound are obtained. The sound velocities and Debye temperature are also predicted from elastic constants. Finally, the linear response method has been used to calculate the thermodynamic properties. The temperature dependence of the enthalpy H, free energy F, entropy S, and heat capacity at constant volume Cv of MgRh crystal in a quasi-harmonic approximation have been obtained from phonon density of states and discussed for the first report. This is the first quantitative theoretical prediction of these properties.

  13. Elastic and vibrational properties of monoclinic HfO2 from first-principles study

    Science.gov (United States)

    Wu, Rui; Zhou, Bo; Li, Qian; Jiang, ZhenYi; Wang, WenBo; Ma, WenYan; Zhang, XiaoDong

    2012-03-01

    The elastic and vibrational properties of crystalline monoclinic HfO2 have been investigated using density functional perturbation theory. Using the Voigt and Reuss theory, we estimate the bulk, shear and Young's modulus for polycrystalline HfO2, which agree very well with the available experimental and theoretical data. Additionally, we present a systematic analysis of the elastic properties of HfO2 polymorphs and find the trends in the elastic parameters for the HfO2 structures are consistent with those for the ZrO2 structures. The choice of exchange-correlation functional has an important effect on the results of elastic and vibrational properties. The utilization of Hartwigzen-Goedecker-Hutter type functional is a great improvement on calculation of the zone-centre phonon frequencies, and shows the root-mean-square absolute deviation of 7 cm-1 with experiments. A rigorous assignment of all the Raman modes is achieved by combining symmetry analysis with the first-principles calculations, which helps us to identify the main peak and some other features of Raman spectra. Furthermore, the Raman spectrum of HfO2 powder has been simulated for the first time, providing a theoretical benchmark for the interpretation of the unresolved problems in experimental studies.

  14. Torsional Elastic Property Measurements of Selected Orthodontic Archwires.

    Science.gov (United States)

    1987-01-01

    Research and Professional Development AFIT/NR 19. KEY WORDS (Continue on reverse side if necessary and Identify by block number) 20. ABSTRACT (Continue...ftf ,.V J .T P. :.// ff~ ’ ftS t .% t ftp~’ U P-. 51 1. Burstone CJ: Variable-modulus Orthodontics. Am J Orthod 80:1-16, 1981. 2. Kusy RP, Stevens LE...Triple-Stranded Stainless Steel Wires - Evaluation of Mechanical Properties and Comparison with Titanium Alloy Alternatives. Angle Orthod 57:18-32

  15. To the theory of elastic properties of isotropic magnetic gels. Effect of interparticle interaction

    Science.gov (United States)

    Lopez-Lopez, M. T.; Iskakova, L. Yu; Zubarev, A. Yu; Borin, D. Yu

    2017-09-01

    The paper deals with theoretical study of elastic shear properties of a magnetic gel, consisting of spherical magnetizable particles, randomly (gas-like) distributed in an elastic matrix. We suppose that the composite is placed in a magnetic field, perpendicular to the direction of the sample shear. In order to get mathematically rigorous results, we have restricted ourselves by the analysis of the system with a low concentration of the particles. Magnetic and elastic (through the matrix deformation) interactions between them are considered in the framework of the regular pair approximation. Analysis shows that external magnetic field decreases the macroscopic shear modulus of the composite with a low concentration of the particles. The decreasing dependence of the modulus on the macroscopic shear is estimated. We believe that the suggested rigorous approach can be a robust background for the study of the systems with a high concentration of the particles.

  16. Elastic property of TbRu{sub 4}P{sub 12} under pressure

    Energy Technology Data Exchange (ETDEWEB)

    Nakanishi, Y., E-mail: yoshiki@iwate-u.ac.j [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan); Ito, K.; Kamiyama, T.; Nakamura, M.; Yoshizawa, M. [Graduate School of Engineering, Iwate University, Morioka 020-8551 (Japan); Ohashi, M. [Department of Physics, Kyushu University, Fukuoka 810-8560 (Japan); Oomi, G.; Kosaka, M. [Department of Physics, Saitama University, Saitama 338-8570 (Japan); Sekine, C. [Faculty of Engineering, Muroran Institute of Technology, Muroran 050-8585 (Japan); Shirotani, I. [Department of Physics, Saitama University, Saitama 338-8570 (Japan)

    2009-10-15

    We investigated elastic properties of the filled skutterudite compound with heavy lanthanide TbRu{sub 4}P{sub 12} by means of ultrasonic measurements under pressure for the first time. TbRu{sub 4}P{sub 12} undergoes a two successive phase transition from a paramagnetic to an antiferromagnetically ordered phase at T{sub N}approx20K, then to another phase transition at T{sub 1}approx10K. We found that a clear elastic anomaly was observed at the two successive phase transition. Furthermore, it is found that they both show a significant pressure dependence. A steep decrease closely associated with T{sub N} is suppressed significantly, but it hardly shifts by applying the pressure. On the other hand, a slight anomaly associated with T{sub 1} is gradually suppressed and shifts to lower temperatures by applying the pressure. We argue the elastic behavior and the possible interpretation in each ordering phase.

  17. 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...

  18. Comparison of waveguide properties of curved versus straight planar elastic layers

    DEFF Research Database (Denmark)

    Zadeh, Maziyar Nesari; Sorokin, Sergey

    2013-01-01

    Dispersion equations are solved for the in-plane and anti-plane wave propagation in planar elastic layer with constant curvature. The classical Lamé formulation of displacements via elastic potentials is applied and appropriate simplifications are employed. The dispersion diagrams in each case...... are compared with their counterparts for a straight layer, e.g., the classical Rayleigh–Lamb solution. The curvature-induced symmetry-breaking effects are investigated for layers with symmetric boundary conditions. The role of curvature is also investigated in the cases, when the boundary conditions...... are not symmetrical. The elementary Bernoulli–Euler theory is employed to analyze the wave guide properties of a curved planar elastic beam in its in-plane deformation. The validity range of the Bernoulli–Euler theory is assessed via comparison of dispersion diagrams....

  19. Electronic and elastic properties of Li{sub 3}N under different pressure

    Energy Technology Data Exchange (ETDEWEB)

    Li Wei, E-mail: tolwwt@163.co [Laboratory of Quantum Information Technology, School of Physics and Telecommunication Engineering, South China Normal University, 510006 Guangzhou (China); Chen Junfang [Laboratory of Quantum Information Technology, School of Physics and Telecommunication Engineering, South China Normal University, 510006 Guangzhou (China); Wang Teng [School of Computer, South China Normal University, 510631 Guangzhou (China)

    2010-01-01

    The electronic structures and elastic properties of lithium nitride are studied using first-principles calculations. The energy band structure and density of state (DOS) of Li{sub 3}N at 0 GPa are calculated. The band gap energy of Li{sub 3}N versus the pressure 0-38.8 GPa is obtained. We find that the band gap energy decreases as the pressure increases. The geometry optimized structural parameters for lithium nitride under different pressures are listed. The parameters a, c, and E all decrease with increasing pressure. However, parameter B, S and Y increase with pressure. The normalized lattice constants and the elastic modulus as two functions of pressure from 0 to 38.8 GPa are obtained. All the calculated elastic constants C{sub ij} increase by different rates with increasing pressure.

  20. Elastic Tensor and Thermodynamic Property of Magnesium Silicate Perovskite from First-principles Calculations

    Institute of Scientific and Technical Information of China (English)

    Zi-iiang Liu; Xiao-wei Sun; Cai-rong Zhang; Jian-bo Hu; Ting Song; Jian-hong Qi

    2011-01-01

    The thermodynamic and elastic properties of magnesium silicate (MgSiO3) perovskite at high pressure are investigated with the quasi-harmonic Debye model and the first-principles method based on the density functional theory.The obtained equation of state is consistent with the available experimental data.The heat capacity and the thermal expansion coefficient agree with the observed values and other calculations at high pressures and temperatures.The elastic constants are calculated using the finite strain method.A complete elastic tensor of MgSiO3 perovskite is determined in the wide pressure range.The geologically important quantities: Young's modulus,Poisson's ratio,Debye temperature,and crystal anisotropy,are derived from the calculated data.

  1. 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....

  2. Elastic properties of yttrium-doped BaCeO3 perovskite

    Science.gov (United States)

    Zhang, Jianzhong; Zhao, Yusheng; Xu, Hongwu; Li, Baosheng; Weidner, Donald J.; Navrotsky, Alexandra

    2007-04-01

    Based on ambient ultrasonic measurements and x-ray diffraction under hydrostatic compression, the authors report here a comparative study of elasticity on oxygen-deficient perovskite, BaCe1-xYxO3-0.5x, with x =0.00 and 0.15. The results show that the presence of 2.5% oxygen vacancy has no measurable effect on the elastic bulk modulus. The shear modulus, however, decreases by approximately 5% in BaCe0.85Y0.15O2.925 perovskite. The differences between Y3+-doped cerate and Al3+-doped silicate suggest that the effect of oxygen vacancy on the elastic properties could be system dependent and may also be sensitive to distribution of oxygen vacancies within structures of the parent compounds.

  3. In vivo anisotropic mechanical properties of dystrophic skeletal muscles measured by anisotropic MR elastographic imaging: the mdx mouse model of muscular dystrophy.

    Science.gov (United States)

    Qin, Eric C; Jugé, Lauriane; Lambert, Simon A; Paradis, Valérie; Sinkus, Ralph; Bilston, Lynne E

    2014-12-01

    To evaluate the utility of mechanical anisotropy (shear storage modulus parallel to fiber/shear storage modulus perpendicular to fiber) measured by combined magnetic resonance (MR) elastography and diffusion-tensor imaging ( DTI diffusion-tensor imaging ) technique (anisotropic MR elastography) to distinguish between healthy and necrotic muscle with different degrees of muscle necrosis in the mdx mouse model of muscular dystrophy. The experimental protocol was approved by the regional animal ethics committee. Twenty-one mdx and 21 wild-type ( WT wild type ) mice were used in our study. Animals were divided into exercised and sedentary groups. Anisotropic MR elastography was used to obtain mechanical anisotropic shear moduli for the lateral gastrocnemius and plantaris muscles in a 7-T MR imager, from which the mechanical anisotropic ratio was calculated. The animals were imaged before and after 10 weeks of a horizontal treadmill running protocol. Spearman rank correlations were used to compare MR elastographic data with muscle necrotic area percentage from histologic analysis. Mechanical anisotropy in WT wild type and mdx mice muscle were compared by using t test and one-way analysis of variance, and receiver operating characteristic curves were constructed by using statistical software. Anisotropic MR elastography was able to be used to distinguish between the muscles of mdx and WT wild type mice, with an area under the receiver operating characteristic curve of 0.8. Strong negative correlation (rs = -0.701; P mechanical anisotropic ratio and the percentage of muscle necrotic area was found. By comparing mice with no or mild (0%-5% mean necrotic area) and severe (>5% mean necrotic area) muscle necrosis, an area under the receiver operating characteristic curve of 0.964 was achieved. Diffusion parameters alone were unable to distinguish between the WT wild type and mdx mice at any time point. The mechanical anisotropic ratio of the shear storage moduli measured by

  4. Elastic properties of thin poly(vinyl alcohol)-cellulose nanocrystal membranes

    Science.gov (United States)

    Pakzad, A.; Simonsen, J.; Yassar, R. S.

    2012-03-01

    In spite of extensive studies on the preparation and characterization of nanocomposite materials, the correlation of their properties at the nanoscale with those in bulk is a relatively unexplored area. This is of great importance, especially for materials with potential biomedical applications, where surface properties are as important in determining their applicability as bulk characteristics. In this study, the nanomechanical characteristics of thin poly(vinyl alcohol) (PVOH)-poly(acrylic acid) (PAA)-cellulose nanocrystal (CNC) membranes were studied using the nanoindentation module in an atomic force microscope (AFM) and the properties were compared with the macro-scale properties obtained by tensile tests. In general, the elastic properties measured by nanoindentation followed the same trend as macro-scale tensile tests except for the PVOH 85-PAA 0-CNC 15 sample. In comparison to the macro-scale elastic properties, the measured elastic moduli with AFM were higher. Macro-scale tensile test results indicated that, in the presence of PAA, incorporation of CNCs up to 20 wt% improved the elastic modulus of PVOH, but when no PAA was added, increasing the CNC content above 10 wt% resulted in their agglomeration and degradation in mechanical properties of PVOH. The discrepancy between macro-scale tensile tests and nanoindentation in the PVOH 85-PAA 0-CNC 15 sample was correlated to the high degree of inhomogeneity of CNC dispersion in the matrix. It was found that the composites reinforced with cellulose nanocrystals had smaller indentation imprints and the pile-up effect increased with the increase of cellulose nanocrystal content.

  5. An anisotropically and heterogeneously aligned patterned electrospun scaffold with tailored mechanical property and improved bioactivity for vascular tissue engineering.

    Science.gov (United States)

    Xu, He; Li, Haiyan; Ke, Qinfei; Chang, Jiang

    2015-04-29

    The development of vascular scaffolds with controlled mechanical properties and stimulatory effects on biological activities of endothelial cells still remains a significant challenge to vascular tissue engineering. In this work, we reported an innovative approach to prepare a new type of vascular scaffolds with anisotropically and heterogeneously aligned patterns using electrospinning technique with unique wire spring templates, and further investigated the structural effects of the patterned electrospun scaffolds on mechanical properties and angiogenic differentiation of human umbilical vein endothelial cells (HUVECs). Results showed that anisotropically aligned patterned nanofibrous structure was obtained by depositing nanofibers on template in a structurally different manner, one part of nanofibers densely deposited on the embossments of wire spring and formed cylindrical-like structures in the transverse direction, while others loosely suspended and aligned along the longitudinal direction, forming a three-dimensional porous microstructure. We further found that such structures could efficiently control the mechanical properties of electrospun vascular scaffolds in both longitudinal and transverse directions by altering the interval distances between the embossments of patterned scaffolds. When HUVECs were cultured on scaffolds with different microstructures, the patterned scaffolds distinctively promoted adhesion of HUVECs at early stage and proliferation during the culture period. Most importantly, cells experienced a large shape change associated with cell cytoskeleton and nuclei remodeling, leading to a stimulatory effect on angiogenesis differentiation of HUVECs by the patterned microstructures of electrospun scaffolds, and the scaffolds with larger distances of intervals showed a higher stimulatory effect. These results suggest that electrospun scaffolds with the anisotropically and heterogeneously aligned patterns, which could efficiently control the

  6. Elastic properties of Thiel-embalmed human ankle tendon and ligament.

    Science.gov (United States)

    Liao, Xiaochun; Kemp, Sandy; Corner, George; Eisma, Roos; Huang, Zhihong

    2015-10-01

    Thiel embalming is recommended as an alternative to formalin-based embalming because it preserves tissue elasticity, color, and flexibility in the long term, with low infection and toxicity risk. The degree to which Thiel embalming preserves elasticity has so far been assessed mainly by subjective scoring, with little quantitative verification. The aim of this study is to quantify the effect of Thiel embalming on the elastic properties of human ankle tendons and ligament. Biomechanical tensile tests were carried out on six Thiel-embalmed samples each of the peroneus longus, peroneus brevis, and calcaneal tendons, and the calcaneofibular ligament, with strain rates of 0.25%s(-1), 2%s(-1), and 8%s(-1). The stress-strain relationship was calculated from the force-extension response with cross-sectional area and gauge length. Young's modulus was determined from the stress-strain curve. The results showed that the tendon and ligament elasticity were lower after Thiel embalming than the literature values for fresh nonembalmed tendons and ligament. The biomechanical tensile test showed that the measured elasticity of Thiel-embalmed tendons and ligaments increased with the strain rate. The Thiel embalming method is useful for preserving human ankle tendons and ligaments for anatomy and surgery teaching and research, but users need to be aware of its softening effects. The method retains the mechanical strain rate effect on tendons and ligament. © 2015 Wiley Periodicals, Inc.

  7. The temperature behaviour of the elastic and thermodynamic properties of fcc thorium

    Energy Technology Data Exchange (ETDEWEB)

    Jaroszewicz, S., E-mail: jaroszew@tandar.cnea.gov.ar [Gerencia de Investigacion y Aplicaciones, Comision Nacional de Energia Atomica, Av. Gral. Paz 1499, San Martin (Argentina); Instituto de Tecnologia Jorge A. Sabato, UNSAM-CNEA (Argentina); Mosca, H.O. [Gerencia de Investigacion y Aplicaciones, Comision Nacional de Energia Atomica, Av. Gral. Paz 1499, San Martin (Argentina); Instituto de Tecnologia Jorge A. Sabato, UNSAM-CNEA (Argentina); Garces, J.E. [DAEE, Centro Atomico Bariloche, Comisin Nacional de Energia Atomica, Av. Bustillo 9500, Bariloche, Rio Negro (Argentina)

    2012-10-15

    The temperature behaviour of the structural, elastical and thermal properties of fcc thorium have been calculated from a free-parameter Helmholtz free energy developed by computing the cohesive energy from first principles calculations coupled to the Chen-Moebius lattice inversion method and the Debye-Grueneisen quasiharmonic model. The elastic constants, shear modulus, Young modulus, Poisson's ratio and thermodynamic properties of fcc Th as the entropy, the harmonic specific heat, the (P, V, T) equation of state and the thermal lattice expansion are found to be in a very good agreement with experiments and ab initio phonon calculations. The results of this work show the potentiality of the Chen-Moebius method coupled to ab initio calculation of the cohesive energy to develop a free-parameter pair potential capable of giving an overall description of fcc Th properties at T = 0 K with an error similar to ab initio calculations.

  8. Advances in calculations of thermal elastic properties: progress and challenges in the interpretation of seismic tomography

    Science.gov (United States)

    Wentzcovitch, R. M.; Wu, Z.; Cococcioni, M.; Umemoto, K.

    2012-12-01

    First principles calculations in mineral physics have contributed decisively to understanding numerous mineral properties of interest in geophysics. Thermal elasticity is the essential property that allows for direct insights into the origin of seismic observables such as velocity discontinuities, gradients, anisotropies, and heterogeneities. Earth materials are challenging to calculations because they contain iron, a strongly correlated element that may undergo spin crossover under pressure, hydrogen, that even in very small amounts can produce can produce anelastic effects, and phases that are stabilized only by anharmonic fluctuations, e.g., CaSiO3-perovskite. I will describe recent progress in methodology that is enabling calculations of thermal elastic properties with unprecedented easiness. I will exemplify its power on iron bearing phases including some undergoing spin crossovers, and provide an updated view of lower mantle velocities.

  9. Effects of fixation and preservation on tissue elastic properties measured by quantitative optical coherence elastography (OCE).

    Science.gov (United States)

    Ling, Yuting; Li, Chunhui; Feng, Kairui; Duncan, Robyn; Eisma, Roos; Huang, Zhihong; Nabi, Ghulam

    2016-05-03

    Fixed and preserved tissues have been massively used in the development of biomedical equipment and instrumentation. Not only the tissue morphology, but also its mechanical properties need to be considered in the fixation and preservation procedures since mechanical properties have significant influence on the design and performance of such instruments. Understanding the effects of storage and preservation conditions on the mechanical properties of soft tissue has both clinical and experimental significance. To this end, we aimed to study the effects of tissue preservation (by 10% formalin and Thiel fluids) on the elastic properties of five different kinds of fresh tissues from pig and chicken; specifically fat, liver, muscle, tendon and cartilage. The tissue elasticity was measured intensively and strictly within a controlled timeline of 6 months by quantitative optical coherence elastography (OCE) system. Our findings suggest that the elasticity change of tissues in the formalin solution has an ascending trend, but that of Thiel remains almost constant, providing a more real texture and properties. Copyright © 2016 Elsevier Ltd. All rights reserved.

  10. Elastic and Photoelastic Properties of M(NO3)2, MO (M = Mg, Ca, Sr, Ba)

    Science.gov (United States)

    Zhuravlev, Yu. N.; Korabel'nikov, D. V.

    2017-05-01

    The paper deals with ab initio investigations of elastic and photoelastic properties of oxides and nitrates of alkaline-earth metals. In gradient approximation of the density functional theory (DFT), these properties are studied with the use of the linear combination of the atomic orbital technique. DFT calculations are done with the CRYSTAL 14 software package. The paper introduces the elastic and photoelastic constants, anisotropy parameters for single-crystalline phases and the elastic modules, hardness, Poisson ratio for polycrystalline phases. Such parameters as sonic speed, Debye temperature, thermal conductivity, and Gruneisen parameter are estimated herein. For the fist time, mechanical stability, anisotropy of elastic and photoelastic properties and their dependences are investigated ab initio in this paper. Experimental results on elastic and photoelastic properties of oxides and nitrates are in good agreement with theoretical calculations.

  11. High pressure elastic properties of minerals from ab initio simulations: The case of pyrope, grossular and andradite silicate garnets

    Energy Technology Data Exchange (ETDEWEB)

    Erba, A., E-mail: alessandro.erba@unito.it; Mahmoud, A.; Dovesi, R. [Dipartimento di Chimica and Centre of Excellence NIS (Nanostructured Interfaces and Surfaces), Università di Torino, via Giuria 5, IT-10125 Torino (Italy); Belmonte, D. [DISTAV, Università di Genova, Corso Europa 26, 16132 Genoa (Italy)

    2014-03-28

    A computational strategy is devised for the accurate ab initio simulation of elastic properties of crystalline materials under pressure. The proposed scheme, based on the evaluation of the analytical stress tensor and on the automated computation of pressure-dependent elastic stiffness constants, is implemented in the CRYSTAL solid state quantum-chemical program. Elastic constants and related properties (bulk, shear and Young moduli, directional seismic wave velocities, elastic anisotropy index, Poisson's ratio, etc.) can be computed for crystals of any space group of symmetry. We apply such a technique to the study of high-pressure elastic properties of three silicate garnet end-members (namely, pyrope, grossular, and andradite) which are of great geophysical interest, being among the most important rock-forming minerals. The reliability of this theoretical approach is proved by comparing with available experimental measurements. The description of high-pressure properties provided by several equations of state is also critically discussed.

  12. Elastic Properties of Tricalcium Aluminate from High-Pressure Experiments and First-Principles Calculations

    KAUST Repository

    Moon, Juhyuk

    2012-06-04

    The structure and elasticity of tricalcium aluminate (C 3A) have been experimentally and theoretically studied. From high-pressure X-ray diffraction experiments, the bulk modulus of 102(6) and 110(3) GPa were obtained by fitting second- and third-order finite strain equation of state, respectively. First-principles calculations with a generalized gradient approximation gave an isotropic bulk modulus of 102.1 GPa and an isothermal bulk modulus of 106.0 GPa. The static calculations using the exchange-correlation functional show an excellent agreement with the experimental measurements. Based on the agreement, accurate elastic constants and other elastic moduli were computed. The slight difference of behavior at high pressure can be explained by the infiltration of pressure-transmitting silicone oil into structural holes in C 3A. The computed elastic and mechanical properties will be useful in understanding structural and mechanical properties of cementitious materials, particularly with the increasing interest in the advanced applications at the nanoscale. © 2012 The American Ceramic Society.

  13. 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.

  14. Relationship between morphology and electrical properties in PP/MWCNT composites: Processing-induced anisotropic percolation threshold

    Energy Technology Data Exchange (ETDEWEB)

    Cesano, F., E-mail: federico.cesano@unito.it [Department of Chemistry, NIS (Nanostructured Interfaces and Surfaces) Interdepartmental Centre and INSTM Centro di Riferimento, University of Torino, Via P. Giuria, 7, 10125 Torino (Italy); Zaccone, M. [Proplast, Strada Comunale Savonesa 9, 15057 Rivalta Scrivia, AL (Italy); ECNP, Strada Comunale Savonesa 9, 15057 Rivalta Scrivia, AL (Italy); Armentano, I. [Materials Engineering Center, UdR INSTM, University of Perugia, Str. Pentima 4, 05100 Terni (Italy); Cravanzola, S.; Muscuso, L. [Department of Chemistry, NIS (Nanostructured Interfaces and Surfaces) Interdepartmental Centre and INSTM Centro di Riferimento, University of Torino, Via P. Giuria, 7, 10125 Torino (Italy); Torre, L. [Materials Engineering Center, UdR INSTM, University of Perugia, Str. Pentima 4, 05100 Terni (Italy); Kenny, J.M. [ECNP, Strada Comunale Savonesa 9, 15057 Rivalta Scrivia, AL (Italy); Materials Engineering Center, UdR INSTM, University of Perugia, Str. Pentima 4, 05100 Terni (Italy); Monti, M. [Proplast, Strada Comunale Savonesa 9, 15057 Rivalta Scrivia, AL (Italy); Scarano, D. [Department of Chemistry, NIS (Nanostructured Interfaces and Surfaces) Interdepartmental Centre and INSTM Centro di Riferimento, University of Torino, Via P. Giuria, 7, 10125 Torino (Italy)

    2016-09-01

    Multi-walled carbon nanotubes (MWCNTs)/polypropylene composites were prepared by melt-mixing, by varying the MWCNT content from 1 to 7 wt%, and samples were manufactured by injection moulding technique. DC electrical characterization was performed by the two-probe method in the three main directions: longitudinal and transversal to the flux of the material during the mould filling, and in the through-thickness direction. Moreover, a dedicated setup was adopted to measure the electrical resistance at different depths of the specimen cross-sectional areas. Two different electrical percolation thresholds, calculated at about 2 wt% and 3 wt% of MWCNTs (longitudinally/transversely to the mould filling flux and in the through-thickness directions, respectively), were found. In order to investigate the role of the structure/morphology of the composites on the electrical properties, samples have been cryofractured, chemically etched and characterized by means of scanning electron microscopy. As a result, the observed anisotropic electrical behaviour was associated with the different network morphology, which was detected in the cross-sectional area, caused by the injection moulding process. Based on the observed through-thickness electrical behaviour, a phenomenological DC conduction model has been developed, describing the sample as a multilayer system, being the external layers (skin) less conductive than the internal region (core). This model, combined with the bulk electrical tests, can be considered as a valuable mathematical tool to foresee the electrical behaviour of MWCNT-based composites for designing new industrial injection-moulded components. - Highlights: • (1–7 wt%) MWCNTs/polypropylene composites are made by injection moulding technique. • The mould temperature is affecting the anisotropic electrical properties. • The anisotropic properties are connected with CNTs dispersion/aggregation. • External layers (skin) are less conductive than the

  15. Computer program for investigating effects of nonlinear suspension-system elastic properties on parachute inflation loads and motions

    Science.gov (United States)

    Poole, L. R.

    1972-01-01

    A computer program is presented by which the effects of nonlinear suspension-system elastic characteristics on parachute inflation loads and motions can be investigated. A mathematical elastic model of suspension-system geometry is coupled to the planar equations of motion of a general vehicle and canopy. Canopy geometry and aerodynamic drag characteristics and suspension-system elastic properties are tabular inputs. The equations of motion are numerically integrated by use of an equivalent fifth-order Runge-Kutta technique.

  16. Complex polarization ratio to determine polarization properties of anisotropic tissue using polarization-sensitive optical coherence tomography.

    Science.gov (United States)

    Park, Jesung; Kemp, Nate J; Rylander, H Grady; Milner, Thomas E

    2009-08-03

    Complex polarization ratio (CPR) in materials with birefringence and biattenuance is shown as a logarithmic spiral in the complex plane. A multi-state Levenberg-Marquardt nonlinear fitting algorithm using the CPR trajectory collected by polarization sensitive optical coherence tomography (PS-OCT) was developed to determine polarization properties of an anisotropic scattering medium. The Levenberg-Marquardt nonlinear fitting algorithm using the CPR trajectory is verified using simulated PS-OCT data with speckle noise. Birefringence and biattenuance of a birefringent film, ex-vivo rodent tail tendon and in-vivo primate retinal nerve fiber layer were determined using measured CPR trajectories and the Levenberg-Marquardt nonlinear fitting algorithm.

  17. Inferring the viscous and elastic properties of a suture zone in Larsen C

    Science.gov (United States)

    O'Leary, Martin; Kulessa, Bernd; Booth, Adam; Holland, Paul; Jansen, Daniela; King, Ed; Luckman, Adrian; McGrath, Dan; Zwinger, Thomas

    2016-04-01

    After the collapse of its neighbours, Larsen A and B, the Larsen C ice shelf is widely considered at risk of future climate-driven instability. Recent work has shown that the ice shelf is stabilized by soft melange in its suture zones, where adjacent flow units merge. Little is known about the mechanical properties of melange however, so that the quantification of its effect on the stability of Larsen C Ice Shelf has remained challenging. To identify the structural and elastic properties of the Joerg Peninsula suture zone in Larsen C Ice Shelf, we integrate seismic reflection and ground-penetrating radar (GPR) geophysical measurements. GPR transects reveal the presence of a stiff layer of meteoric ice, trapped between the softer melange beneath and the firn layer above. Monte Carlo analysis reveals that the seismic velocity of this melange is noticeably reduced compared to meteoric ice. By applying Hashin-Shtrikman bounds on the elastic moduli of a two-phase mixture of ice and water to the velocities, we are able to derive the elastic properties of the melange. We ascertain, significantly, that the melange is softer than meteoric ice because it contains a substantial volume fraction of water. The meteoric ice layer is buckling due to compressive lateral stresses. We suggest this process is analogous to fold buckling in sedimentary rocks. Using the ice flow model Elmer/Ice we are able to replicate this process, and thereby derive bounds on the rheological properties of the suture zone melange.

  18. Electronic, elastic, acoustic and optical properties of cubic TiO{sub 2}: A DFT approach

    Energy Technology Data Exchange (ETDEWEB)

    Mahmood, Tariq, E-mail: tariq_mahmood78@hotmail.com [Research Center of Materials Science, School of Material Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China); Centre for High Energy Physics, University of the Punjab, Lahore 54590 (Pakistan); Cao, Chuanbao, E-mail: cbcao@bit.edu.cn [Research Center of Materials Science, School of Material Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China); Tahir, Muhammad; Idrees, Faryal [Research Center of Materials Science, School of Material Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China); Ahmed, Maqsood [Centre for High Energy Physics, University of the Punjab, Lahore 54590 (Pakistan); Tanveer, M.; Aslam, Imran; Usman, Zahid; Ali, Zulfiqar; Hussain, Sajad [Research Center of Materials Science, School of Material Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China)

    2013-07-01

    The electronic, elastic, acoustic and optical properties of cubic phases TiO{sub 2} fluorite and pyrite are investigated using the first principles calculations. We have employed five different exchange–correlation functions within the local density and generalized gradient approximations using the ultrasoft plane wave pseudopotential method. The calculated band structures of cubic-TiO{sub 2} elucidate that the TiO{sub 2} fluorite and pyrite are direct and indirect semiconductors in contrast to the previous findings. From our studied properties such as bulk and shear moduli, elastic constants C{sub 44} and Debye temperature for TiO{sub 2} fluorite and pyrite, we infer that both the cubic phases are not superhard materials and the pyrite phase is harder than fluorite. The longitudinal and transversal acoustic wave speeds for both phases in the directions [100], [110] and [111] are determined using the pre-calculated elastic constants. In addition, we also calculate the optical properties such as dielectric function, absorption spectrum, refractive index and energy loss function using the pre-optimized structure. On the observation of optical properties TiO{sub 2} fluorite phase turn out to be more photocatalytic than pyrite.

  19. Equation of State, Nonlinear Elastic Response, and Anharmonic Properties of Diamond-Cubic Silicon and Germanium: First-Principles Investigation

    Science.gov (United States)

    Wang, Chenju; Gu, Jianbing; Kuang, Xiaoyu; Xiang, Shikai

    2015-06-01

    Nonlinear elastic properties of diamond-cubic silicon and germanium have not been investigated sufficiently to date. Knowledge of these properties not only can help us to understand nonlinear mechanical effects but also can assist us to have an insight into the related anharmonic properties, so we investigate the nonlinear elastic behaviour of single silicon and germanium by calculating their second- and third-order elastic constants. All the results of the elastic constants show good agreement with the available experimental data and other theoretical calculations. Such a phenomenon indicates that the present values of the elastic constants are accurate and can be used to further study the related anharmonic properties. Subsequently, the anharmonic properties such as the pressure derivatives of the second-order elastic constants, Grüneisen constants of long-wavelength acoustic modes, and ultrasonic nonlinear parameters are explored. All the anharmonic properties of silicon calculated in the present work also show good agreement with the existing experimental results; this consistency not only reveals that the calculation method of the anharmonic properties is feasible but also illuminates that the anharmonic properties obtained in the present work are reliable. For the anharmonic properties of germanium, since there are no experimental result and other theoretical data till now, we hope that the anharmonic properties of germanium first offered in this work would serve as a reference for future studies.

  20. Equation of state, nonlinear elastic response, and anharmonic properties of diamond-cubic silicon and germanium. First-principles investigation

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Chenju [Sichuan Univ., Chengdu (China). Inst. of Atomic and Molecular Physics; Institute of Fluid Physics, Sichuan (China). National Key Laboratory of Shock Wave and Detonation Physics; Gu, Jianbing [Institute of Fluid Physics, Sichuan (China). National Key Laboratory of Shock Wave and Detonation Physics; Sichuan Univ., Chengdu (China). College of Physical Science and Technology; Kuang, Xiaoyu [Sichuan Univ., Chengdu (China). Inst. of Atomic and Molecular Physics; Xiang, Shikai [Institute of Fluid Physics, Sichuan (China). National Key Laboratory of Shock Wave and Detonation Physics

    2015-10-01

    Nonlinear elastic properties of diamond-cubic silicon and germanium have not been investigated sufficiently to date. Knowledge of these properties not only can help us to understand nonlinear mechanical effects but also can assist us to have an insight into the related anharmonic properties, so we investigate the nonlinear elastic behaviour of single silicon and germanium by calculating their second- and third-order elastic constants. All the results of the elastic constants show good agreement with the available experimental data and other theoretical calculations. Such a phenomenon indicates that the present values of the elastic constants are accurate and can be used to further study the related anharmonic properties. Subsequently, the anharmonic properties such as the pressure derivatives of the second-order elastic constants, Grueneisen constants of long-wavelength acoustic modes, and ultrasonic nonlinear parameters are explored. All the anharmonic properties of silicon calculated in the present work also show good agreement with the existing experimental results; this consistency not only reveals that the calculation method of the anharmonic properties is feasible but also illuminates that the anharmonic properties obtained in the present work are reliable. For the anharmonic properties of germanium, since there are no experimental result and other theoretical data till now, we hope that the anharmonic properties of germanium first offered in this work would serve as a reference for future studies.

  1. Structure properties and Noether symmetries for super-long elastic slender rod

    Institute of Scientific and Technical Information of China (English)

    Fu Jing-Li; Zhao Wei-Jia; Weng Yu-Quan

    2008-01-01

    DNA is a nucleic acid molecule with double-helical structures that are special symmetrical structures attracting great attention of numerous researchers. The super-long elastic slender rod, an important structural model of DNA and other long-train molecules, is a useful tool in analysing the symmetrical properties and the stabilities of DNA. This paper studies the structural properties of a super-long elastic slender rod as a structural model of DNA by using Kirchhoff's analogue technique and presents the Noether symmetries of the model by using the method of infinitesimal transformation. Based on Kirchhoff's analogue it analyses the generalized Hamilton canonical equations. The infinitesimal transformations with respect to the radial coordinate, the generalized coordinates, and the quasi-momenta of the model are introduced. The Noether symmetries and conserved quantities of the model are obtained.

  2. STRUCTURAL PHASE TRANSITION, ELASTIC AND ELECTRONIC PROPERTIES OF CuXSe2(X = In, Ga) CHALCOPYRITE

    Science.gov (United States)

    Bouguetaia, T.; Abidri, B.; Benbahi, B.; Rached, D.; Hiadsi, S.; Rabah, M.

    2012-04-01

    The structural, elastic and electronic properties of chalcopyrite compound CuInSe2 and CuGaSe2 have been investigated using the full-potential linearized muffin-tin orbital method (FP-LMTO) within the frame of density functional theory (DFT). In this approach, the local density approximation is used for the exchange-correlation potential using Perdew-Wang parametrization. The equilibrium lattice parameters, bulk modulus, transition pressure, elastic constants and their related parameters such as Poisson's ratio, Young modulus, shear modulus and Debye temperature were calculated and compared with available experimental and theoretical data. They are in reasonable agreement. In this paper the electronic properties are treated with GGA + U approach, which brings out the important role played by the d-state of noble metal (Cu) and give the correct nature of the energy band gap. Our obtained results show that both compounds exhibit semi-conductor behaviour with direct band gap.

  3. Numerical homogenization of elastic and thermal material properties for metal matrix composites (MMC)

    Science.gov (United States)

    Schindler, Stefan; Mergheim, Julia; Zimmermann, Marco; Aurich, Jan C.; Steinmann, Paul

    2017-01-01

    A two-scale material modeling approach is adopted in order to determine macroscopic thermal and elastic constitutive laws and the respective parameters for metal matrix composite (MMC). Since the common homogenization framework violates the thermodynamical consistency for non-constant temperature fields, i.e., the dissipation is not conserved through the scale transition, the respective error is calculated numerically in order to prove the applicability of the homogenization method. The thermomechanical homogenization is applied to compute the macroscopic mass density, thermal expansion, elasticity, heat capacity and thermal conductivity for two specific MMCs, i.e., aluminum alloy Al2024 reinforced with 17 or 30 % silicon carbide particles. The temperature dependency of the material properties has been considered in the range from 0 to 500°C, the melting temperature of the alloy. The numerically determined material properties are validated with experimental data from the literature as far as possible.

  4. Effect of alloying on elastic properties of ZrN based transition metal nitride alloys

    KAUST Repository

    Kanoun, Mohammed

    2014-09-01

    We report the effect of composition and metal sublattice substitutional element on the structural, elastic and electronic properties of ternary transition metal nitrides Zr1-xMxN with M=Al, Ti, Hf, V, Nb, W and Mo. The analysis of the elastic constants, bulk modulus, shear modulus, Young\\'s modulus, and Poisson\\'s ratio provides insights regarding the mechanical behavior of Zr1-xMxN. We predict that ternary alloys are more ductile compared to their parent binary compounds. The revealed trend in the mechanical behavior might help for experimentalists on the ability of tuning the mechanical properties during the alloying process by varying the concentration of the transition metal. © 2014 Elsevier B.V.

  5. Elastic Properties of 4–6 nm-thick Glassy Carbon Thin Films

    Directory of Open Access Journals (Sweden)

    Lee H

    2009-01-01

    Full Text Available Abstract Glassy carbon is a disordered, nanoporous form of carbon with superior thermal and chemical stability in extreme environments. Freestanding glassy carbon specimens with 4–6 nm thickness and 0.5 nm average pore size were synthesized and fabricated from polyfurfuryl alcohol precursors. Elastic properties of the specimens were measured in situ inside a scanning electron microscope using a custom-built micro-electro-mechanical system. The Young’s modulus, fracture stress and strain values were measured to be about 62 GPa, 870 MPa and 1.3%, respectively; showing strong size effects compared to a modulus value of 30 GPa at the bulk scale. This size effect is explained on the basis of the increased significance of surface elastic properties at the nanometer length-scale.

  6. Structural, electronic and elastic properties of REIr2 (RE=La and Ce) Laves phase compounds

    Science.gov (United States)

    Shrivastava, Deepika; Fatima, Bushra; Sanyal, Sankar P.

    2016-05-01

    REIr2 (RE = La and Ce) Laves phase intermetallic compounds were investigated with respect to their structural, electronic and elastic properties using full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation (GGA) as implemented in WIEN2k code. The ground state properties such as lattice constants (a0), bulk modulus (B), pressure derivative of bulk modulus (Bꞌ) and density of state at Fermi level N(EF) have been obtained by optimization method. The electronic structure (BS, TDOS and PDOS) reveals that these Laves phase compounds are metallic in nature. The calculated elastic constants indicate that these compounds are mechanically stable at ambient pressure and found to be ductile in nature.

  7. Structural, elastic and electronic properties of 2H- and 4H-SiC

    Directory of Open Access Journals (Sweden)

    Md. Nuruzzaman

    2015-05-01

    Full Text Available The structural, five different elastic constants and electronic properties of 2H- and 4H-Silicon carbide (SiC are investigated by using density functional theory (DFT. The total energies of primitive cells of 2H- and 4H-SiC phases are close to each other and moreover satisfy the condition E2H >E4H . Thus, the 4H-SiC structure appears to be more stable than the 2H- one. The analysis of elastic properties also indicates that the 4H-SiC polytype is stiffer than the 2H structures. The electronic energy bands, the total density of states (DOS are calculated. The fully relaxed and isotropic bulk modulus is also estimated. The implication of the comparison of our results with the existing experimental and theoretical studies is made.

  8. Electronic Structure and Elastic Properties of Ti3AlC from First-Principles Calculations

    Institute of Scientific and Technical Information of China (English)

    DU Yu-Lei

    2009-01-01

    We perform a first-principles study on the electronic structure and elastic properties of Ti3AlC with an antiper-ovskite structure. The absence of band gap at the Fermi level and the finite value of the density of states at the Fermi energy reveal the metallic behavior of this compound. The elastic constants of Ti_3AlC are derived yielding c_(11)=356 GPa, c_(12)= 55 GPa, c_(44)=157 GPa. The bulk modulus B, shear modulus G and Young's modulus E are determined to be 156, 151 and 342 GPa, respectively. These properties are compared with those of Ti_3AlC_2 and Ti_2AlC with a layered structure in the Ti-Al-C system and Fe_3AlC with the same antiperovskite structure.

  9. Experimental investigation on high temperature anisotropic compression properties of ceramic-fiber-reinforced SiO{sub 2} aerogel

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Duoqi; Sun, Yantao [School of Energy and Power Engineering, Beihang University, P.O. Box 405, Beijing 100191 (China); Feng, Jian [National Key Laboratory of Science and Technology on Advanced Ceramic Fibers and Composites, College of Aerospace Science and Engineering, National University of Defense Technology, Changsha 410073 (China); Yang, Xiaoguang, E-mail: yxg@buaa.edu.cn [School of Energy and Power Engineering, Beihang University, P.O. Box 405, Beijing 100191 (China); Han, Shiwei; Mi, Chunhu [School of Energy and Power Engineering, Beihang University, P.O. Box 405, Beijing 100191 (China); Jiang, Yonggang [National Key Laboratory of Science and Technology on Advanced Ceramic Fibers and Composites, College of Aerospace Science and Engineering, National University of Defense Technology, Changsha 410073 (China); Qi, Hongyu [School of Energy and Power Engineering, Beihang University, P.O. Box 405, Beijing 100191 (China)

    2013-11-15

    Compression tests were conducted on a ceramic-fiber-reinforced SiO{sub 2} aerogel at high temperature. Anisotropic mechanical property was found. In-plane Young's modulus is more than 10 times higher than that of out-of-plane, but fracture strain is much lower by a factor of 100. Out-of-plane Young's modulus decreases with increasing temperature, but the in-plane modulus and fracture stress increase with temperature. The out-of-plane property does not change with loading rates. Viscous flow at high temperature is found to cause in-plane shrinkage, and both in-plane and out-of-plane properties change. Compression induced densification of aerogel matrix was also found by Scanning Electron Microscope analysis.

  10. Phase transition and elastic properties of zinc sulfide under high pressure from first principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Wei [Hubei Univ. of Education, Wuhan (China). Dept. of Physics and Electronics; Chinese Academy of Engineering Physics, Mianyang (China). Inst. of Fluid Physics; Song, Jin-Fan; Wang, Ping; Lu, Cheng; Lu, Zhi-Wen [Nanyang Normal Univ. (China). Dept. of Physics; Tan, Xiao-Ming [Ludong Univ., Yantai (China). Dept. of Physics

    2011-10-15

    A theoretical investigation on structural and elastic properties of zinc sulfide semiconductor under high pressure is performed by employing the first-principles method based on the density functional theory. The calculated results show that the transition pressure P{sub t} for the structural phase transition from the B3 structure to the B1 structure is 17.04 GPa. The calculated values are generally speaking in good agreement with experiments and with similar theoretical calculations. (orig.)

  11. Stability, structural, elastic and electronic properties of RuN polymorphs from first-principles calculations

    Science.gov (United States)

    Bannikov, V. V.; Shein, I. R.; Ivanovskii, A. L.

    2010-05-01

    First-principles FLAPW-GGA calculations for six possible polymorphs of ruthenium mononitride RuN indicate that the most stable structure is that of zinc blende rather than the rock salt structure recently reported for synthesized RuN samples. The elastic, electronic properties and the features of chemical bonds of zinc-blende RuN polymorph were investigated and discussed in detail.

  12. Studies of Elastic Properties on Stretch Films of Polycarbonate by Brillouin Scattering.

    Science.gov (United States)

    1982-02-22

    axis or shear modulus about the axis may not be significantly affected. However, in polymers, 1 21such as poly(ethylene terephthalate ) , polyethylene ...although the C33 values for the unstretched poly-- (ethylene terephthalate ) ( PET ) and polypropylene (PP) films are lower than that for the PC film...AD-Al12 208 UTAH UNIV SALT LAKE CITY DEPT OF CHEMISTRY F/6 11/9 STUDIES OF ELASTIC PROPERTIES ON STRETCH FILMS OF POLYCARBONATE -ETC(U) FEA 82 0 LIU

  13. Are linear elastic material properties relevant predictors of the cyclic fatigue resistance of dental resin composites?

    Science.gov (United States)

    Belli, Renan; Petschelt, Anselm; Lohbauer, Ulrich

    2014-04-01

    The aim of this study was to measure the linear elastic material properties of direct dental resin composites and correlate them with their fatigue strength under cyclic loading. Bar specimens of twelve resin composites were produced according to ISO 4049 and tested for elastic modulus (Emod) in 3-point bending (n=10), flexural strength (FS) (n=15) and single-edge-notch-beam fracture toughness (FT) (n=15), both in 4-point bending. Using the same specimen geometry, the flexural fatigue strength (FFS) was determined using the staircase approach after 10(4) cycles at 0.5 Hz in 4-point bending (n=25). The observation of the fracture surface and fracture profiles was conducted using a scanning electron microscope in order to evaluate the respective fracture mechanisms according to the two different loading conditions. Materials were ranked differently according to the tested parameters. Only weak correlations were found between any of the initial properties and FFS or strength loss. The best correlation to FFS was found to be the Emod (r(2)=0.679), although only slightly. Crack path in both loading conditions was mainly interparticle, with the crack propagating mainly within the matrix phase for fatigued specimens and eventually through the filler/matrix interface for statically loaded specimens. Fracture of large particles or prepolymerized fillers was only observed in specimens of FS and FT. Initial properties were better associated with microstructural features, whereas the fatigue resistance showed to be more dependent on aspects relating to the matrix phase. Our results show that linear elastic properties such as elastic modulus, flexural strength and fracture toughness are not good descriptors of the fatigue resistance of dental resin composite under cyclic bending, and may therefore have limited clinical relevance. Copyright © 2014 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  14. Evaluation of the Elastic Properties of Thirteen Silicone Interocclusal Recording Materials

    OpenAIRE

    Mieszko Wieckiewicz; Natalia Grychowska; Marek Zietek; Wlodzimierz Wieckiewicz

    2016-01-01

    Background. Addition silicones are popular as dental impression materials and are used in bite registration procedures. Objective. This study aimed to compare the postsetting elasticities and other mechanical properties of thirteen addition silicone interocclusal recording materials. Materials and Methods. The following materials were investigated: Colorbite D, Futar D, Genie Bite, Jet Blue Bite fast, Memoreg 2, O-Bite, Occlufast Rock, Omni-Bite Plus, Regidur i, Registrado X-tra, Regofix tran...

  15. Comparison of micromechanical models for elastic properties. [for unidirectional graphite/epoxy composites

    Science.gov (United States)

    Lissenden, Cliff J.; Herakovich, Carl T.

    1992-01-01

    Results for the predicted effective elastic properties of unidirectional composites are presented for glass/epoxy and graphite/epoxy using eight different models. A brief review of each of the models is given along with the final equations in most cases. It is shown that there is wide variation in some predictions for glass/epoxy and that the upper and lower composite cylinder assemblage bounds do not always fall close together for this material.

  16. Linear Elastic Properties of the Facial Soft Tissues Using an Aspiration Device: Towards Patient Specific Characterization.

    OpenAIRE

    Luboz, Vincent; Promayon, Emmanuel; Payan, Yohan

    2014-01-01

    International audience; Biomechanical modeling of the facial soft tissue behavior is needed in aesthetic or maxillo-facial surgeries where the simulation of the bone displacements cannot accurately predict the visible outcome on the patient's face. Because these tissues have different nature and elastic properties across the face, depending on their thickness, and their content in fat or muscle, individualizing their mechanical parameters could increase the simulation accuracy. Using a specif...

  17. Effect of van der Waals interactions on the structural and elastic properties of black phosphorus

    DEFF Research Database (Denmark)

    Appalakondaiah, S.; Vaitheeswaran, G.; Lebègue, S.;

    2012-01-01

    The structural and elastic properties of orthorhombic black phosphorus have been investigated using first-principles calculations based on density functional theory. The structural parameters have been calculated using the local density approximation (LDA), the generalized gradient approximation...... (GGA), and with several dispersion corrections to include van der Waals interactions. It is found that the dispersion corrections improve the lattice parameters over LDA and GGA in comparison with experimental results. The calculations reproduce well the experimental trends under pressure and show...

  18. An Experimental Method to Determine the Elastic Properties of Transversely Isotropic Rocks by a Single Triaxial Test

    Science.gov (United States)

    Togashi, Yota; Kikumoto, Mamoru; Tani, Kazuo

    2017-01-01

    A novel method is proposed for determining the deformation anisotropy of rocks by a single triaxial test using a single specimen sampled from an arbitrary direction. Transversely isotropic elasticity is assumed for the purpose of application of the test method to sedimentary and metamorphic rocks, and the non-axial symmetric stress-strain relationships of anisotropic rocks are determined by triaxial testing by means of a simple improvement to the cap in the triaxial testing apparatus. Both the elastic parameters and the directions of the transversely isotropic elasticity can be obtained by measuring the shear deformations that occur under triaxial stress conditions. An overview of the method for determining transversely isotropic elasticity is presented in this paper, along with the results of a sensitivity analysis performed assuming simulated strains with random measurement errors. The results show that the directions of anisotropy can be determined precisely using the directions of the principal strains measured during isotropic compression and that the elastic parameters can be determined uniquely from the stress-strain relationships observed during both the isotropic and axial compression processes.

  19. Effects of alloying elements on elastic properties of Al by first-principles calculations

    Directory of Open Access Journals (Sweden)

    Wang J.

    2014-01-01

    Full Text Available The effects of alloying elements (Co, Cu, Fe, Ge, Hf, Mg, Mn, Ni, Si, Sr, Ti, V, Y, Zn, and Zr on elastic properties of Al have been investigated using first-principles calculations within the generalized gradient approximation. A supercell consisting of 31 Al atoms and one solute atom is used. A good agreement is obtained between calculated and available experimental data. Lattice parameters of the studied Al alloys are found to be depended on atomic radii of solute atoms. The elastic properties of polycrystalline aggregates including bulk modulus (B, shear modulus (G, Young’s modulus (E, and the B/G ratio are also determined based on the calculated elastic constants (cij’s. It is found that the bulk modulus of Al alloys decreases with increasing volume due to the addition of alloying elements and the bulk modulus is also related to the total molar volume (Vm and electron density (nAl31x with the relationship of nAl31x=1.0594+0.0207√B/Vm. These results are of relevance to tailor the properties of Al alloys.

  20. Microstructure, Elastic Modulus and Tensile Properties of Ti-Nb-O Alloy System

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    In the present study Ti-Nb binary alloy system was chosen because it has excellent biocompatibility as well as reasonable mechanical properties, aiming at understanding oxygen content on microstructural formation,elastic modulus and tensile properties in Ti-Nb alloy system. Small alloy buttons of 50 mm in diameter were prepared by arc melting on a water-cooled copper hearth under an argon gas atmosphere with a non-consumable tungsten electrode. The button ingots were then heat treated in a vacuum atmosphere at 1273 K for 0.5 h followed by water quenching in a specially designed heat treatment furnace. Microstructure, elastic modulus and tensile properties were investigated in order to understand the effect of oxygen content in quenched TiNb alloy system. The orthorhombic structured α″ martensite was changed to bcc structured β-phase with increasing Nb content. Interestingly, it was found that oxygen makes β-phase stable in quenched Ti-Nb alloy system. Elastic modulus values were sensitive to phase stability of constituent phases. Yield strength increased with increasing oxygen content. Details will be explained by phase formation and stability behavior.

  1. Yttrium aluminium garnet under pressure: Structural, elastic, and vibrational properties from ab initio studies

    Energy Technology Data Exchange (ETDEWEB)

    Monteseguro, V. [Departamento de Física and MALTA Consolider Team, Universidad de La Laguna, 38200 San Cristóbal de La Laguna, Santa Cruz de Tenerife (Spain); Rodríguez-Hernández, P.; Muñoz, A., E-mail: amunoz@ull.es [Departamento de Física and MALTA Consolider Team, Universidad de La Laguna, 38200 San Cristóbal de La Laguna, Santa Cruz de Tenerife (Spain); Instituto de Materiales y Nanotecnología. Universidad de La Laguna, 38200 San Cristóbal de La Laguna, Santa Cruz de Tenerife (Spain)

    2015-12-28

    The structural, elastic, and vibrational properties of yttrium aluminum garnet Y{sub 3}Al{sub 5}O{sub 12} are studied under high pressure by ab initio calculations in the framework of the density functional theory. The calculated ground state properties are in good agreement with the available experimental data. Pressure dependences of bond length and bulk moduli of the constituent polyhedra are reported. The evolution of the elastic constants and the major elastic properties, Young and shear modulus, Poisson's ratios, and Zener anisotropy ratio, are described. The mechanical stability is analyzed, on the light of “Born generalized stability criteria,” showing that the garnet is mechanically unstable above 116 GPa. Symmetries, frequencies, and pressure coefficients of the Raman-active modes are discussed on the basis of the calculated total and partial phonon density of states, which reflect the dynamical contribution of each atom. The relations between the phonon modes of Y{sub 3}Al{sub 5}O{sub 12} and the internal and external molecular modes of the different polyhedra are discussed. Infrared-active modes, as well as the silent modes, and their pressure dependence are also investigated. No dynamical instabilities were found below 116 GPa.

  2. Outstanding mechanical properties of monolayer MoS2 and its application in elastic energy storage.

    Science.gov (United States)

    Peng, Qing; De, Suvranu

    2013-11-28

    The structural and mechanical properties of graphene-like honeycomb monolayer structures of MoS2 (g-MoS2) under various large strains are investigated using density functional theory (DFT). g-MoS2 is mechanically stable and can sustain extra large strains: the ultimate strains are 0.24, 0.37, and 0.26 for armchair, zigzag, and biaxial deformation, respectively. The in-plane stiffness is as high as 120 N m(-1) (184 GPa equivalently). The third, fourth, and fifth order elastic constants are indispensable for accurate modeling of the mechanical properties under strains larger than 0.04, 0.07, and 0.13 respectively. The second order elastic constants, including in-plane stiffness, are predicted to monotonically increase with pressure while the Poisson ratio monotonically decreases with increasing pressure. With the prominent mechanical properties including large ultimate strains and in-plane stiffness, g-MoS2 is a promising candidate of elastic energy storage for clean energy. It possesses a theoretical energy storage capacity as high as 8.8 MJ L(-1) and 1.7 MJ kg(-1), or 476 W h kg(-1), larger than a Li-ion battery and is environmentally friendly.

  3. 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.

  4. Assessment of Serum ADMA Levels and Aortic Elastic Properties in Patients with Ankylosing Spondylitis

    Directory of Open Access Journals (Sweden)

    Hasan Kaya

    2013-08-01

    Full Text Available Introduction: Ankylosing spondylitis is a chronic inflammatory disease which may be associated with cardiovascular complications. The aim of the study was to investigate aortic elastic properties and serum asymetric dimethylarginine (ADMA levels in patients with ankylosing spondylitis without any cardiac involvement.Patients and Methods: Fifty-five ankylosing spondylitis patients and 30 age/gender matched healthy subjects were enrolled into this study. Fasting glucose, serum lipids, C-reactive protein (CRP, erythrocyte sedimentation rate (ESR and ADMA were studied. Aortic strain, distensibility and stiffness index were calculated from aortic diameters measured by transthoracic echocardiography and simultaneous blood pressure measurements.Results: ESR and CRP were higher in patients group. Serum ADMA levels were also higher in ankylosing spondylitis than in controls (0.76 ± 0.19 vs. 0.55 ± 0.12, p< 0.001. In subgroup analysis, ADMA was significantly lower in anti-TNF-alfa treatment group than conventional treatment group (0.68 ± 0.15 vs. 0.87 ± 0.18, p< 0.001. Mean aortic strain and distensibility were lower and stiffness index was higher in ankylosing spondylitis group than controls. No correlation between ADMA and aortic elastic properties was observed. In ankylosing spondylitis group, a negative significant correlation was found between duration of ankylosing spondylitis and aortic strain and distensibility.Conclusion: Our study suggest that patients with ankylosing spondylitis without cardiac involvement, aortic elasticity was impaired and ADMA levels were increased, while there was no significant correlation between aortic elastic properties and ADMA levels.

  5. Contractile and elastic ankle joint muscular properties in young and older adults.

    Directory of Open Access Journals (Sweden)

    Christopher J Hasson

    Full Text Available The purpose of this study was to investigate age-related differences in contractile and elastic properties of both dorsi- (DF and plantarflexor (PF muscles controlling the ankle joint in young and older adults. Experimental data were collected while twelve young and twelve older male and female participants performed maximal effort isometric and isovelocity contractions on a dynamometer. Equations were fit to the data to give torque-angle (Tθ and torque-angular velocity (Tω relations. Muscle series-elasticity was measured during ramped dynamometer contractions using ultrasonography to measure aponeurosis extension as a function of torque; second order polynomials were used to characterize the torque-extension (TΔL relation. The results showed no age differences in DF maximal torque and none for female PF; however, older males had smaller maximal PF torques compared to young males. In both muscle groups and genders, older adults had decreased concentric force capabilities. Both DF and PF TΔL relations were more nonlinear in the older adults. Older PF, but not DF muscles, were stiffer compared to young. A simple antagonism model suggested age-related differences in Tθ and Tω relations would be magnified if antagonistic torque contributions were included. This assessment of static, dynamic, and elastic joint properties affords a comprehensive view of age-related modifications in muscle function. Although many clinical studies use maximal isometric strength as a marker of functional ability, the results demonstrate that there are also significant age-related modifications in ankle muscle dynamic and elastic properties.

  6. Theoretical Study on Structural and Elastic Properties of ZnO Nanotubes

    Institute of Scientific and Technical Information of China (English)

    YUAN Peng-Fei; DING Ze-Jun; JU Xin

    2008-01-01

    @@ A theoretical investigation on the structural and elastic properties of ZnO nanotubes is carried out by using atomistic calculations based on an inter-atomic pair potential within the shell-model approach.The calculation results are presented for the bond length,bond angle,radius dilation,strain energy,Young modulus and Poisson ratio as a function of tube radius.For small tube radius these properties depend on the helicity of the tube,while for the tube radius larger than 6.0 (A),they are independent of the tube radius and helicity except for the strain energy which decreases with increasing tube radius.

  7. Using strong nonlinearity and high-frequency vibrations to control effective properties of discrete elastic waveguides

    DEFF Research Database (Denmark)

    Lazarov, Boyan Stefanov; Thomsen, Jon Juel; Snaeland, Sveinn Orri

    2008-01-01

    The aim of this article is to investigate how highfrequency (HF) excitation, combined with strong nonlinear elastic material behavior, influences the effective material or structural properties for low-frequency excitation and wave propagation. The HF effects are demonstrated on discrete linear s...... spring-mass chains with non-linear inclusions. The presented analytical and numerical results suggest that the effective material properties can easily be altered by establishing finite amplitude HF standing waves in the non-linear regions of the chain....

  8. Anisotropic magnetic, transport and thermodynamic properties of novel tetragonal Ce{sub 2}RhGa{sub 12} compound

    Energy Technology Data Exchange (ETDEWEB)

    Nallamuthu, S.; Rashid, T.P. [Department of Physics, National Institute of Technology, Tiruchirappalli 620 0015 (India); Krishnakumar, V. [Department of Physics, Periyar University, Salem 636 011 (India); Besnard, Celine [Laboratory of Crystallography, University of Geneva, 24 Quai Ernest-Ansermet, CH-1211 Geneva 4 (Switzerland); Hagemann, Hans [Department of Physical Chemistry, University of Geneva, Geneva (Switzerland); Reiffers, Marian [Faculty of Humanities and Natural Sciences, Presov University, Presov (Slovakia); Nagalakshmi, R., E-mail: nagaphys@yahoo.com [Department of Physics, National Institute of Technology, Tiruchirappalli 620 0015 (India)

    2014-08-01

    Highlights: • Ce{sub 2}RhGa{sub 12} crystallizes in tetragonal structure having space-group P4/nbm. • Anisotropic magnetic, transport and thermodynamic properties are investigated. • The antiferromagnetic ordering temperature is 3.5 K. • Sommerfeld parameter γ ≈ 423 mJ/mol K{sup 2}. - Abstract: We report on a comprehensive study of the magnetization, resistivity and heat capacity on the single crystals of Ce{sub 2}RhGa{sub 12} synthesized using Ga flux. Single crystal X-ray diffraction data confirm the tetragonal Pb/nbm structure of Ce{sub 2}RhGa{sub 12}, which is isostructural to Ce{sub 2}PdGa{sub 12}. Ce{sub 2}RhGa{sub 12} orders antiferromagnetically at T{sub N} = 3.5 K and exhibits anisotropic magnetic behavior, inferred from the magnetization and resistivity data, taken along the two principal crystallographic directions of the crystal, viz., along [1 0 0] and [0 0 1]. The anisotropic magnetic response of Ce{sub 2}RhGa{sub 12} establishes [0 0 1] as the easy axis of magnetization, and a weak meta-magnetic transition is also observed in the magnetic isotherm at 2 K along the same axis. A sharp peak in specific heat signals the bulk antiferromagnetic transition at T{sub N} = 3.5 K, which shifts to lower temperatures in low applied fields. The electrical resistivity along the two directions shows metallic behavior from 300 K down to 1.8 K and establishes Ce{sub 2}RhGa{sub 12} as a normal, trivalent cerium compound.

  9. WEIGHT FUNCTIONS FOR INTERFACE CRACKS IN DISSIMILAR ANISOTROPIC MATERIALS

    Institute of Scientific and Technical Information of China (English)

    MA Lifeng; CHEN Yiheng

    2004-01-01

    Bueckner's work conjugate integral customarily adopted for linear elastic materials is established for an interface crack in dissimilar anisotropic materials. The difficulties in separating Stroh's six complex arguments involved in the integral for the dissimilar materials are overcome and then the explicit function representations of the integral are given and studied in detail. It is found that the pseudo-orthogonal properties of the eigenfunction expansion form (EEF) for a crack presented previously in isotropic elastic cases, in isotopic bimaterial cases, and in orthotropic cases are also valid in the present dissimilar arbitrary anisotropic cases. The relation between Bueckner's work conjugate integral and the J-integral in these cases is obtained by introducing a complementary stressdisplacement state. Finally, some useful path-independent integrals and weight functions are proposed for calculating the crack tip parameters such as the stress intensity factors.

  10. 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.

  11. First-Principles Study of Structural,Magnetic,Electronic and Elastic Properties of PuC2简

    National Research Council Canada - National Science Library

    杨荣 唐斌 高涛 敖冰云

    2016-01-01

    We perform first-principles calculations of crystal structure,magnetism,electronic structure,chemical bonding and elastic properties for PuC2 using the standard local spin-density approximation(LSDA)+U...

  12. Diagnostics of elastic properties of a planar interface between two rough media using surface acoustic waves

    Science.gov (United States)

    Kokshaiskii, A. I.; Korobov, A. I.; Shirgina, N. V.

    2017-03-01

    The results of experimental studies on the nonlinear elastic properties of a planar interface between two media are presented—an optically polished glass substrate and flat samples with different degrees of roughness. The nonlinear elastic properties of the interfaces between two media were investigated by the spectral method using surface acoustic waves (SAWs). The effect of external pressure applied to the interface on the efficiency of the generation of the second SAW harmonic was studied. Using the measured amplitudes of the first and second harmonics of the SAW that passes along the interface, the second-order nonlinear acoustic parameter was calculated as a function of the external pressure applied to the sample at a fixed amplitude of a probing wave. It was revealed that the nonlinear parameter of the SAW is a nonmonotonic function of the pressure at the boundary. The results were analyzed on the basis of an elastic contact nonlinearity, and it is concluded that these results can be used in nondestructive testing for roughness and waviness of surfaces of flat solids.

  13. First-principles study of structural, elastic, and thermodynamic properties of ZrHf alloy

    Institute of Scientific and Technical Information of China (English)

    韦昭; 翟东; 邵晓红; 鲁勇; 张平

    2015-01-01

    Structural parameters, elastic constants, and thermodynamic properties of ordered and disordered solid solutions of ZrHf alloys are investigated through first-principles calculations based on density-functional theory (DFT). The special quasi-random structure (SQS) method is used to model the disordered phase as a single unit cell, and two lamella structures are generated to model the ordered alloys. Small strains are applied to the unit cells to measure the elastic behavior and mechanical stability of ZrHf alloys and to obtain the independent elastic constants by the stress–strain relationship. Phonon dispersions and phonon density of states are presented to verify the thermodynamic stability of the considered phases. Our results show that both the ordered and disordered phases of ZrHf alloys are structurally stable. Based on the obtained phonon frequencies, thermodynamic properties, including Gibbs free energy, entropy, and heat capacity, are predicted within the quasi-harmonic approximation. It is verified that there are no obvious differences in energy between ordered and disordered phases over a wide temperature range.

  14. Measurements along the growth direction of PMN-PT crystals: dielectric, piezoelectric, and elastic properties.

    Science.gov (United States)

    Tian, Jian; Han, Pengdi; Payne, David A

    2007-09-01

    Property measurements are reported for Pb(Mg1/3Nb2/3)03-PbTiO3 (PMN-PT) single crystals grown along (001) by a seeded-melt method. Chemical segregation occurs during crystal growth, leading to property changes along the growth direction. Variations in dielectric, piezoelectric, and elastic properties were evaluated for specimens selected from the crystals. Room-temperature data are correlated with Tc and composition that ranged from 27 to 32% PT, i.e., in the vicinity of the morphotropic phase boundary (MPB). While there was little change in the high electromechanical coupling factor k33 (0.87-0.92), both the piezoelectric charge coefficient d33 (1100-1800 pC/N) and the free dielectric constant K3 (4400-7000) were found to vary significantly with position. Increases in d33 and KT33 were relatively offsetting in that the ratio yielded a relatively stable piezoelectric voltage coefficient g33 (27-31 x 10(-3) Vm/N). Values are also reported for the elastic compliance (3.3-6.3 x 10(-11) m2/N) determined from resonance measurements. Enhancements in d33 and K(T)33 were associated with lattice softening (increasing sE33) as the composition approached the MPB. Details are reported for the piezoelectric, dielectric, and elastic properties as a function of growth direction, Tc, and composition. The results are useful for an understanding of properties in PMN-PT crystals and for the design of piezoelectric devices.

  15. First principles study on the structural, electronic, and elastic properties of Na-As systems

    Science.gov (United States)

    Ozisik, H. B.; Colakoglu, K.; Deligoz, E.; Ozisik, H.

    2011-10-01

    We have performed the first principles calculation by using the plane-wave pseudopotential approach with the generalized gradient approximation for investigating the structural, electronic, and elastic properties Na-As systems (NaAs in NaP, LiAs and AuCu-type structures, NaAs 2 in MgCu 2-type structure, Na 3As in Na 3As, Cu 3P and Li 3Bi-type structures, and Na 5As 4 in A 5B 4-type structure). The lattice parameters, cohesive energy, formation energy, bulk modulus, and the first derivative of bulk modulus (to fit to Murnaghan's equation of state) of the related structures are calculated. The second-order elastic constants and the other related quantities such as Young's modulus, shear modulus, Poisson's ratio, sound velocities, and Debye temperature are also estimated.

  16. Elastic properties of Re-Ru{sub 4}Sb{sub 12} (Re; La, Pr)

    Energy Technology Data Exchange (ETDEWEB)

    Kumagai, T.; Nakanishi, Y.; Sugawara, H.; Sato, H.; Yoshizawa, M

    2003-05-01

    We have investigated elastic properties of the filled skutterudite compounds LaRu{sub 4}Sb{sub 12} and PrRu{sub 4}Sb{sub 12} by means of ultrasonic measurement. No elastic softening towards low temperature in both (C{sub 11}-C{sub 12})/2 and C{sub 44}, has been observed in PrRu{sub 4}Sb{sub 12}. The obtained result suggests that Pr{sup 3+} {gamma}{sub 1} singlet ground state is realized in PrRu{sub 4}Sb{sub 12} under the crystalline electric field (CEF). It also indicates that {gamma}{sub 1} singlet ground state is possible in other Pr-based filled skutterudite compounds.

  17. Influence of pore fluid and frequency on elastic properties of greensand as interpreted using NMR data

    DEFF Research Database (Denmark)

    Hossain, Zakir; Mukerj, Tapan; Fabricius, Ida Lykke

    2011-01-01

    The objective of this study was to discuss the influence of pore fluid on elastic properties of greensand. Gassmann’s equations generally work at low frequency and do not take into consideration the fluid related dispersion. In some cases Biot’s theory is used to describe the fluid related...... dispersion. However, Biot’s theory does not fully explain the frequency dispersion of sedimentary rocks. Greensands are composed of a mixture of quartz and micro-porous glauconite grains. In greensand, it is possible that the contrast between flow in macro-pores and micro-pores within glauconites gives rise...... to a local stiffening pressure gradient in the fluid. Then fluid flow in greensand could then be described as a kind of squirt flow. Greensand data from the North Nini filed was included in this study. Gassmann’s, Biot’s and squirt models were used to discuss the influence of pore fluid on elastic moduli...

  18. Elastic Properties and Line Tension of Self-Assembled Bilayer Membranes

    CERN Document Server

    Li, Jianfeng; Shi, An-Chang; Schmid, Friederike; Zhou, Jiajia

    2013-01-01

    The elastic properties of a self-assembled bilayer membrane are studied using the self-consistent field theory, applied to a model system composed of flexible amphiphilic chains dissolved in hydrophilic polymeric solvents. Examining the free energy of bilayer membranes with different geometries allows us to calculate their bending modulus, Gaussian modulus, two fourth-order membrane moduli, and the line tension. The dependence of these parameters on the microscopic characteristics of the amphiphilic chain, characterized by the volume fraction of the hydrophilic component, is systematically studied. The theoretical predictions are compared with the results from a simple monolayer model, which approximates a bilayer membrane by two monolayers. Finally the region of validity of the linear elasticity theory is analyzed by examining the higher-order contributions.

  19. Effect of hydrostatic pressure on the structural, elastic and electronic properties of (B3) boron phosphide

    Indian Academy of Sciences (India)

    Salah Daoud; Kamel Loucif; Nadhira Bloud; Noudjoud Lebgaa; Laarbi Belagraa

    2012-07-01

    In this paper we present the results obtained from first-principles calculations of the effect of hydrostatic pressure on the strucural, elastic and electronic properties of (B3) boron phosphide, using the pseudopotential plane-wave method (PP-PW) based on density functional theory within the Teter and Pade exchange-correlation functional form of the local density approximation (LDA). The lattice parameter, molecular and crystal densities, near-neighbour distances, independent elastic constant, bulk modulus, shear modulus, anisotropy factor and energy bandgaps of (B3) BP under high pressure are presented. The results showed a phase transition pressure from the zinc blende to rock-salt phase at around 1.56 Mbar, which is in good agreement with the theoretical data reported in the literature.

  20. Anisotropy in elastic properties of lithium sodium sulphate hexahydrate single crystal—An ultrasonic study

    Indian Academy of Sciences (India)

    George Varughese; A Santhosh Kumar; J Philip; Godfrey Louis

    2009-12-01

    The double sulfate family (ABSO4), where A and B are alkali metal cations, is the object of great interest owing to the complexity and richness of its sequence of phase transition induced by temperature variation. A new sulfate salt characterized by the presence of water molecule in the unit cell with the chemical formula, Li2Na3(SO4)2.6H2O (LSSW), was obtained. The ultrasonic velocity measurement was done with pulse echo overlap technique [PEO]. All the six second order elastic stiffness constants, 11 = 22, 33, 44 = 55, 12, 14 and 13 = 23 are reported for the first time. The anisotropy in the elastic properties of the crystal are well explained by the pictorial representation of the polar plots of phase velocity, slowness, Young’s modulus and linear compressibility in – and – planes.

  1. Anisotropy in elastic properties of lithium sodium sulphate hexahydrate single crystal—An ultrasonic study

    Indian Academy of Sciences (India)

    George Varughese; A S Kumar; J Philip; Godfrey Louis

    2013-02-01

    The double sulfate family of (ABSO4) where A and B are alkali metal cations, is the object of great interest owing to the complexity and richness of its sequence of phase transition induced by temperature variation. A new sulfate salt characterized by the presence of water molecule in the unit cell with the chemical formula, Li2Na3(SO4)2.6H2O (LSSW), was obtained. The ultrasonic velocity measurement was done with pulse echo overlap technique [PEO]. All the six second order elastic stiffness constants, 11 = 22, 33, 44 = 55, 12, 14 and 13 = 23, are reported for the first time. The anisotropy in the elastic properties of the crystal are well explained by the pictorial representation of the surface plots of phase velocity, slowness, Young’s modulus and linear compressibility in – and – planes.

  2. Evaluation of Copper, Aluminum and Nickel Interatomic Potentials on Predicting the Elastic Properties

    CERN Document Server

    Rassoulinejad-Mousavi, Seyed Moein; Zhang, Yuwen

    2016-01-01

    Choice of appropriate force field is one of the main concerns of any atomistic simulation that needs to be seriously considered in order to yield reliable results. Since, investigations on mechanical behavior of materials at micro/nanoscale has been becoming much more widespread, it is necessary to determine an adequate potential which accurately models the interaction of the atoms for desired applications. In this framework, reliability of multiple embedded atom method based interatomic potentials for predicting the elastic properties was investigated. Assessments were carried out for different copper, aluminum and nickel interatomic potentials at room temperature which is considered as the most applicable case. Examined force fields for the three species were taken from online repositories of National Institute of Standards and Technology (NIST), as well as the Sandia National Laboratories, the LAMMPS database. Using molecular dynamic simulations, the three independent elastic constants, C11, C12 and C44 we...

  3. Multiparameter Elastic Full Waveform Inversion With Facies Constraints

    KAUST Repository

    Zhang, Zhendong

    2017-08-17

    Full waveform inversion (FWI) aims fully benefit from all the data characteristics to estimate the parameters describing the assumed physics of the subsurface. However, current efforts to utilize full waveform inversion as a tool beyond acoustic imaging applications, for example in reservoir analysis, faces inherent challenges related to the limited resolution and the potential trade-off between the elastic model parameters. Adding rock physics constraints does help to mitigate these issues, but current approaches to add such constraints are based on including them as a priori knowledge mostly valid around the well or as a boundary condition for the whole area. Since certain rock formations inside the Earth admit consistent elastic properties and relative values of elastic and anisotropic parameters (facies), utilizing such localized facies information in FWI can improve the resolution of inverted parameters. We propose a novel confidence map based approach to utilize the facies-based constraints in both isotropic and anisotropic elastic FWI. We invert for such a confidence map using Bayesian theory, in which the confidence map is updated at each iteration of the inversion using both the inverted models and a prior information. The numerical examples show that the proposed method can reduce the trade-offs and also can improve the resolution of the inverted elastic and anisotropic properties.

  4. Al4SiC4 wurtzite crystal: Structural, optoelectronic, elastic, and piezoelectric properties

    Directory of Open Access Journals (Sweden)

    L. Pedesseau

    2015-12-01

    Full Text Available New experimental results supported by theoretical analyses are proposed for aluminum silicon carbide (Al4SiC4. A state of the art implementation of the density functional theory is used to analyze the experimental crystal structure, the Born charges, the elastic properties, and the piezoelectric properties. The Born charge tensor is correlated to the local bonding environment for each atom. The electronic band structure is computed including self-consistent many-body corrections. Al4SiC4 material properties are compared to other wide band gap wurtzite materials. From a comparison between an ellipsometry study of the optical properties and theoretical results, we conclude that the Al4SiC4 material has indirect and direct band gap energies of about 2.5 eV and 3.2 eV, respectively.

  5. Effective dielectric and elastic properties of nanoporous low-k media

    Science.gov (United States)

    Hermann, H.

    2010-07-01

    This paper presents a mathematically defined characterization of random porous media including random self-similarity and surface fractality. The initial two-phase structure is transformed into a three-phase system by introducing the internal surface layer as the third phase. Effective medium theories are utilized to calculate macroscopic dielectric and elastic properties. The dependence of both the static dielectric constant and Young's modulus on geometrical parameters is analyzed for different combinations of bulk and interface properties. It is shown that the modification of the properties of the internal surface layer is a promising way to improve the effective constants of the materials. The obtained analytical expressions are also used to determine confined regions in the space of structural parameters where pre-specified property combinations are realized. The results are discussed in terms of possible applications of nanometer-scale porous interlayer dielectrics with an ultralow dielectric constant and sufficient mechanical stiffness for future semiconducting devices.

  6. Anisotropic magnetic properties and crystal electric field studies on CePd2Ge2 single crystal.

    Science.gov (United States)

    Maurya, Arvind; Kulkarni, R; Dhar, S K; Thamizhavel, A

    2013-10-30

    The anisotropic magnetic properties of the antiferromagnetic compound CePd2Ge2, crystallizing in the tetragonal crystal structure have been investigated in detail on a single crystal grown by the Czochralski method. From the electrical transport, magnetization and heat capacity data, the Néel temperature is confirmed to be 5.1 K. Anisotropic behaviour of the magnetization and resistivity is observed along the two principal crystallographic directions-namely, [100] and [001]. The isothermal magnetization measured in the magnetically ordered state at 2 K exhibits a spin reorientation at 13.5 T for the field applied along the [100] direction, whereas the magnetization is linear along the [001] direction attaining a value of 0.94 μ(B)/Ce at 14 T. The reduced value of the magnetization is attributed to the crystalline electric field (CEF) effects. A sharp jump in the specific heat at the magnetic ordering temperature is observed. After subtracting the phononic contribution, the jump in the heat capacity amounts to 12.5 J K(-1)mol(-1) which is the expected value for a spin ½ system. From the CEF analysis of the magnetization data the excited crystal field split energy levels were estimated to be at 120 K and 230 K respectively, which quantitatively explains the observed Schottky anomaly in the heat capacity. A magnetic phase diagram has been constructed based on the field dependence of magnetic susceptibility and the heat capacity data.

  7. Mussel-Inspired Anisotropic Nanocellulose and Silver Nanoparticle Composite with Improved Mechanical Properties, Electrical Conductivity and Antibacterial Activity

    Directory of Open Access Journals (Sweden)

    Hoang-Linh Nguyen

    2016-03-01

    Full Text Available Materials for wearable devices, tissue engineering and bio-sensing applications require both antibacterial activity to prevent bacterial infection and biofilm formation, and electrical conductivity to electric signals inside and outside of the human body. Recently, cellulose nanofibers have been utilized for various applications but cellulose itself has neither antibacterial activity nor conductivity. Here, an antibacterial and electrically conductive composite was formed by generating catechol mediated silver nanoparticles (AgNPs on the surface of cellulose nanofibers. The chemically immobilized catechol moiety on the nanofibrous cellulose network reduced Ag+ to form AgNPs on the cellulose nanofiber. The AgNPs cellulose composite showed excellent antibacterial efficacy against both Gram-positive and Gram-negative bacteria. In addition, the catechol conjugation and the addition of AgNP induced anisotropic self-alignment of the cellulose nanofibers which enhances electrical and mechanical properties of the composite. Therefore, the composite containing AgNPs and anisotropic aligned the cellulose nanofiber may be useful for biomedical applications.

  8. Structural, elastic, electronic and optical properties of platinum-based superconductor SrPt3P under pressure: a first-principles study

    Science.gov (United States)

    Zhang, Xiu-Qing; Li, Guo-Jun; Cheng, Yan; Ji, Guang-Fu

    2016-02-01

    The structural, elastic, electronic and optical properties of the platinum-based superconductor SrPt3P under pressure are investigated by the generalized gradient approximation with the Perdew-Burke-Ernzerhof exchange-correlation functional in the framework of density-functional theory. The calculated structural parameters (a, c) and the primitive cell volume V of SrPt3P at the ground state are in good agreement with the available experimental data and seem to be better than other calculated results. The pressure dependences of the elastic constants Cnolimitsij, bulk modulus B, shear modulus G, Young's modulus E and Poisson's ratio σ of SrPt3P are also obtained successfully. The computed elastic constants indicate that SrPt3P is mechanically stable up to 100 GPa. The obtained B/G is 2.56 at the ground state, indicating that SrPt3P behaves in a ductile manner. The ratio B/G also increases with growing pressures, indicating that the structure becomes more and more ductile. Even though SrPt3P is an ionic-covalent crystal, the obtained density of states shows that it has metallic characteristic. These conclusions can be further demonstrated by analysing the charge and Mulliken population. In addition, we have investigated the dielectric function and the loss function. It is found that the dielectric function in (E||x, E||y) is isotropic, whereas the directions (E||x, E||z) are anisotropic; the effect of pressure on the loss function of the deep ultraviolet region gradually increases as the pressure increases.

  9. PHENOMENOLOGICAL DAMAGE MODELS OF ANISOTROPIC STRUCTURAL MATERIALS

    OpenAIRE

    Bobyr, M.; Khalimon, O.; Bondarets, O.

    2015-01-01

    Damage in metals is mainly the process of the initiation and growth of voids. A formulation for anisotropic damage is established in the framework of the principle of strain equivalence, principle of increment complementary energy equivalence and principle of elastic energy equivalence. This paper presents the development of an anisotropic damage theory. This work is focused on the development of evolution anisotropic damage models which is based on a Young’s modulus/Poisson’s ratio change of...

  10. Effect of Elastic Modulus on Biomechanical Properties of Lumbar Interbody Fusion Cage

    Institute of Scientific and Technical Information of China (English)

    Yue Zhu; Fusheng Li; Shujun Li; Yulin Hao; Rui Yang

    2009-01-01

    This work focuses on the influence of elastic modulus on biomechanical properties of lumbar interbody fusion cages by selecting two titanium alloys with different elastic modulus.They were made by a new β type alloy with chemical composition of Ti-24Nb-4Zr-7.6Sn having low Young's modulus ~50 GPa and by a conventional biomedical alloy Ti-6Al-4V having Young's modulus ~110 GPa.The results showed that the designed cages with low modulus (LMC) and high modulus (HMC) can keep identical compression load ~9.8 kN and endure fatigue cycles higher than 5× 106 without functional or mechanical failure under 2.0 kN axial compression.The anti-subsidence ability of both group cages were examined by axial compression of thoracic spine specimens (T9~T10) dissected freshly from the calf with averaged age of 6 months.The results showed that the LMC has better anti-subsidence ability than the HMC (p<0.05).The above results suggest that the cage with low elastic modulus has great potential for clinical applications.

  11. Structural, elastic, electronic, and thermodynamic properties of MgAgSb investigated by density functional theory

    Science.gov (United States)

    Wang, Jun-Fei; Fu, Xiao-Nan; Zhang, Xiao-Dong; Wang, Jun-Tao; Li, Xiao-Dong; Jiang, Zhen-Yi

    2016-08-01

    The structural, elastic, electronic, and thermodynamic properties of thermoelectric material MgAgSb in γ,β,α phases are studied with first-principles calculations based on density functional theory. The optimized lattice constants accord well with the experimental data. According to the calculated total energy of the three phases, the phase transition order is determined from α to γ phase with cooling, which is in agreement with the experimental result. The physical properties such as elastic constants, bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio, and anisotropy factor are also discussed and analyzed, which indicates that the three structures are mechanically stable and each has a ductile feature. The Debye temperature is deduced from the elastic properties. The total density of states (TDOS) and partial density of states (PDOS) of the three phases are investigated. The TDOS results show that the γ phase is most stable with a pseudogap near the Fermi level, and the PDOS analysis indicates that the conduction band of the three phases is composed mostly of Mg-3s, Ag-4d, and Sb-5p. In addition, the changes of the free energy, entropy, specific heat, thermal expansion of γ-MgAgSb with temperature are obtained successfully. The obtained results above are important parameters for further experimental and theoretical tuning of doped MgAgSb as a thermoelectric material at high temperature. Project supported by the National Natural Science Foundation of China (Grant No. 11504088), the Fund from Henan University of Technology, China (Grant Nos. 2014YWQN08 and 2013JCYJ12), the Natural Science Fund from the Henan Provincial Education Department, China (Grant No. 16A140027), the Natural Science Foundation of Shaanxi Province of China (Grant Nos. 2013JQ1018 and 15JK1759), and the Science Foundation of Northwest University of China (Grant No. 14NW23).

  12. Muscle and joint elastic properties during elbow flexion in Duchenne muscular dystrophy.

    Science.gov (United States)

    Cornu, C; Goubel, F; Fardeau, M

    2001-06-01

    1. Maximal voluntary contraction (MVC), series elastic stiffness and total joint stiffness during elbow flexion were investigated in healthy boys and in boys with Duchenne muscular dystrophy (DMD) in order to assess changes in mechanical properties induced by the disease. 2. Two methods were used to perform stiffness measurements: (i) the application of sinusoidal perturbations to the joint during flexion efforts, allowing the calculation of total joint stiffness; (ii) the use of quick-release movements of the elbow, which had previously been maintained in isometric contraction, allowing the calculation of series elastic stiffness. In each case, stiffness was linearly related to torque, leading to the calculation of a normalized stiffness index as the slope of this stiffness-torque relationship. 3. As expected, mean MVC was found to be much higher for healthy boys (20.02 +/- 5.20 N m) than for DMD patients (3.09 +/- 2.44 N m). Furthermore, the results showed that it was possible to characterize healthy and DMD children by virtue of the mechanical properties measured. Mean series elastic stiffness index was higher for DMD children (142.55 +/- 136.58 rad(-1)) than for healthy subjects (4.39 +/- 2.53 rad(-1)). The same holds for mean total joint stiffness index: 43.68 +/- 67.58 rad(-1) for DMD children and 2.26 +/- 0.70 rad(-1) for healthy subjects. In addition, increases in stiffness were more marked in DMD patients exhibiting high levels of muscle weakness. 4. These changes are interpreted in terms of the adaptation of the properties of the muscles and joint involved, i.e. muscle fibres, tendons, peri- and intra-articular structures.

  13. Influence of exogenous pigmentation on the optical properties of orthodontic elastic ligatures

    Directory of Open Access Journals (Sweden)

    Alline Birra Nolasco Fernandes

    2012-08-01

    Full Text Available OBJECTIVES: The aim of this study was to assess the optical properties of orthodontic elastic ligatures under the influence of exogenous pigments contained in the daily diet. MATERIAL AND METHODS: For the analysis, colorless (clear elastic segments (ORTHO Organizers, lot 660625A10 were used as received from the manufacturer, and were divided into 8 groups of 3 segments each. Each group was immersed in 200 mL of a solution containing a determined substance, as follows: distilled water (control group, Coca-Cola®, Pomarola brand tomato sauce (Cica®, açai, Jasmine® brand green tea, Royal Blend® black tea brand, Pilão® brand coffee and Palmares® wine brand. All test specimens were immersed in the solutions and kept in an appropriate receptacle for 7 days at 37°C14. After the staining session, the test specimens were washed with distilled water in an ultrasonic vat for 5 min and dried with paper tissues6. The portable digital spectrophotometer Vita Easyshade Compact was used to assess if there was color variation of the test specimens. This variation was quantified and qualified at the initial time (T0 and after staining (T1. RESULTS: These results were analyzed statistically using the software SPSS version 18.0. The Shapiro-Wilk test of normality was applied followed by the one-way analysis of variance and the Tukey's post hoc test. The level of significance adopted was 5%. CONCLUSIONS: From the substances evaluated in this study, those with higher staining potential on esthetic elastic ligatures were black tea, coffee and wine, respectively. Knowing this information, the dentist may advise their patients to avoid certain foods because of elastic staining may occur thus decreasing the aesthetics of the material.

  14. Structural, elastic, electronic and optical properties of bi-alkali antimonides

    Indian Academy of Sciences (India)

    G MURTAZA; MAZHAR ULLAH; NAEEM ULLAH; MALIKA RANI; M MUZAMMIL; R KHENATA; SHAHID M RAMAY; UMAIR KHAN

    2016-10-01

    The structural parameters, elastic constants, electronic and optical properties of the bi-alkali antimonides (Na$_2$KSb, Na$_2$RbSb, Na$_2$CsSb, K$_2$RbSb, K$_2$CsSb and Rb$_2$CsSb) were calculated using state-of-the-art density functional theory. Different exchange-correlation potentials were adopted to predict the physical properties of these compounds. The calculated structural parameters are found in good agreement with the available experimental and theoretical results. All the compounds are mechanically stable. The compounds Na$_2$KSb, K$_2$RbSb, K$_2$CsSb and Rb$_2$CsSb have direct bandgaps, in which chemical bonding among the cations and anions is mainly ionic. Furthermore, the optical properties of these compounds are described in detail in terms of the dielectric function, refractive index, reflectivity, optical conductivity and absorption coefficient.

  15. First-Principles Calculations of Elastic and Thermal Properties of Lanthanum Hexaboride

    Institute of Scientific and Technical Information of China (English)

    XU Guo-Liang; CHEN Jing-Dong; XIA Yao-Zheng; LIU Xue-Feng; LIU Yu-Fang; ZHANG Xian-Zhou

    2009-01-01

    The plane-wave pseudopotential method using the generalized gradient approximation within the framework of density functional theory is applied to anaylse the bulk modulus, thermal expansion coefficient and heat capacity of LAB6. The quasi-harmonic Debye model, using a set of total energy versus volume obtained with the plane-wave pseudopotential method, is applied to the study of the thermal properties and vibrational effects. We analyse the bulk modulus of LaB6 up to 150OK. The elastic properties calculations show that our system is mechanically stable. For the heat capacity and the thermal expansion, significant differences in properties are observed above 30OK. The calculated zero pressure bulk modulus is in good agreement with the experimentai data. Moreover,the Debye temperatures are determined from the non-equilibrium Gibbs functions and compared to available data.

  16. Elastic and Piezoelectric Properties of Boron Nitride Nanotube Composites. Part II; Finite Element Model

    Science.gov (United States)

    Kim, H. Alicia; Hardie, Robert; Yamakov, Vesselin; Park, Cheol

    2015-01-01

    This paper is the second part of a two-part series where the first part presents a molecular dynamics model of a single Boron Nitride Nanotube (BNNT) and this paper scales up to multiple BNNTs in a polymer matrix. This paper presents finite element (FE) models to investigate the effective elastic and piezoelectric properties of (BNNT) nanocomposites. The nanocomposites studied in this paper are thin films of polymer matrix with aligned co-planar BNNTs. The FE modelling approach provides a computationally efficient way to gain an understanding of the material properties. We examine several FE models to identify the most suitable models and investigate the effective properties with respect to the BNNT volume fraction and the number of nanotube walls. The FE models are constructed to represent aligned and randomly distributed BNNTs in a matrix of resin using 2D and 3D hollow and 3D filled cylinders. The homogenisation approach is employed to determine the overall elastic and piezoelectric constants for a range of volume fractions. These models are compared with an analytical model based on Mori-Tanaka formulation suitable for finite length cylindrical inclusions. The model applies to primarily single-wall BNNTs but is also extended to multi-wall BNNTs, for which preliminary results will be presented. Results from the Part 1 of this series can help to establish a constitutive relationship for input into the finite element model to enable the modeling of multiple BNNTs in a polymer matrix.

  17. Elastic properties of Ca-based metallic glasses predicted by first-principles simulations

    Energy Technology Data Exchange (ETDEWEB)

    Widom, M.; Sauerwine, B.; Cheung, A.M.; Poon, S.J.; Tong, P.; Louca, D.; Shiflet, G.J. (CM); (UV)

    2012-07-11

    First-principles simulations of Ca-based metallic glass-forming alloys yield sample amorphous structures whose structures can be compared to experiment and whose properties can be analyzed. In an effort to understand and control ductility, we investigate the elastic moduli. Calculated Poisson ratios depend strongly on alloying elements in a manner that correlates with ionicity (charge transfer). Consequently, we predict that alloying Ca with Mg and Zn should result in relatively ductile glasses compared to alloying with Ag, Cu, or Al. Experimental observations validate these predictions.

  18. A first principle study of the pressure dependent elastic properties of monazite LaPO4

    Science.gov (United States)

    Ali, Kawsar; Arya, A.; Ghosh, P. S.; Dey, G. K.

    2016-05-01

    DFT based ab-initio simulations have been performed to study the effect of pressure on the elastic properties of monazite LaPO4 which is a promising host material for immobilization of high level nuclear waste. The phase is found to be stable up to 30 GPa. The calculated polycrystalline bulk, shear and Young moduli show an increasing trend as a function of pressure. The ductility and anisotropy in shear modulus of the material have been found to increase with pressure; whilethe bulk modulus anisotropy decreases with pressure.

  19. Laser-Ultrasonic Measurement of Elastic Properties of Anodized Aluminum Coatings

    Science.gov (United States)

    Singer, F.

    Anodized aluminum oxide plays a great role in many industrial applications, e.g. in order to achieve greater wear resistance. Since the hardness of the anodized films strongly depends on its processing parameters, it is important to characterize the influence of the processing parameters on the film properties. In this work the elastic material parameters of anodized aluminum were investigated using a laser-based ultrasound system. The anodized films were characterized analyzing the dispersion of Rayleigh waves with a one-layer model. It was shown that anodizing time and temperature strongly influence Rayleigh wave propagation.

  20. Elastic and thermodynamic properties of c-BN from first-principles calculations

    Institute of Scientific and Technical Information of China (English)

    Hao Yan-Jun; Cheng Yan; Wang Yan-Ju; Chen Xiang-Rong

    2007-01-01

    The elastic constants and thermodynamic properties of c-BN are calculated using the first-principles plane wave method with the relativistic analytic pseudopotential of the Hartwigen, Goedecker and Hutter (HGH) type in the frame of local density approximation and using the quasi-harmonic Debye model, separately. Moreover, the dependences of the normalized volume V/V0 on pressure P, as well as the bulk modulus B, the thermal expansion α, and the heat capacity CV on pressure P and temperature T are also successfully obtained.

  1. Elastic and magnetic properties of cubic Fe$_{4}$C from first-principles

    OpenAIRE

    Rahman, Gul; Jan, Haseen Ullah

    2014-01-01

    First-principles based on density functional theory is used to study the phase stability, elastic, magnetic, and electronic properties of cubic (c)-Fe$_4$C. Our results show that c-Fe$_{4}$C has a ferromagnetic (FM) ground state structure compared with antiferromagnetic (AFM) and nonmagnetic (NM)states. To study the phase stability of c-Fe$_4$C, BCC Fe$_4$C, FCC Fe$_4$C, and BCC Fe$_{16}$C, where C is considered at tetrahedral and octahedral interstitial sites, are also considered. Although, ...

  2. 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...

  3. Acoustic and elastic properties of Sn{sub 2}P{sub 2}S{sub 6} crystals

    Energy Technology Data Exchange (ETDEWEB)

    Mys, O; Martynyuk-Lototska, I; Vlokh, R [Institute of Physical Optics of the Ministry of Education and Science of Ukraine, 23 Dragomanov Street, 79005 Lviv (Ukraine); Grabar, A [Istitute for Solid State Physics and Chemistry, Uzhgorod National University, 54 Voloshyn Street, 88000 Uzhgorod (Ukraine)], E-mail: vlokh@ifo.lviv.ua

    2009-07-01

    We present the results concerned with acoustic and elastic properties of Sn{sub 2}P{sub 2}S{sub 6} crystals. The complete matrices of elastic stiffness and compliance coefficients are determined in both the crystallographic coordinate system and the system associated with eigenvectors of the elastic stiffness tensor. The acoustic slowness surfaces are constructed and the propagation and polarization directions of the slowest acoustic waves promising for acousto-optic interactions are determined on this basis. The acoustic obliquity angle and the deviation of polarization of the acoustic waves from purely transverse or longitudinal states are quantitatively analysed.

  4. Investigation of structural, electronic, elastic and optical properties of Cd1-x-yZnxHgyTe alloys

    Directory of Open Access Journals (Sweden)

    M. Tamer

    2016-06-01

    Full Text Available Structural, optical and electronic properties and elastic constants of Cd1-x-yZnx HgyTe alloys have been studied by employing the commercial code Castep based on density functional theory. The generalized gradient approximation and local density approximation were utilized as exchange correlation. Using elastic constants for compounds, bulk modulus, band gap, Fermi energy and Kramers–Kronig relations, dielectric constants and the refractive index have been found through calculations. Apart from these, X-ray measurements revealed elastic constants and Vegard’s law. It is seen that results obtained from theory and experiments are all in agreement.

  5. Investigation of structural, electronic, elastic and optical properties of Cd1-x-yZnxHgyTe alloys

    Science.gov (United States)

    Tamer, M.

    2016-06-01

    Structural, optical and electronic properties and elastic constants of Cd1-x-yZnx HgyTe alloys have been studied by employing the commercial code Castep based on density functional theory. The generalized gradient approximation and local density approximation were utilized as exchange correlation. Using elastic constants for compounds, bulk modulus, band gap, Fermi energy and Kramers-Kronig relations, dielectric constants and the refractive index have been found through calculations. Apart from these, X-ray measurements revealed elastic constants and Vegard's law. It is seen that results obtained from theory and experiments are all in agreement.

  6. Analysis of the elastic-plastic indentation properties of materials with varying ratio of hardness to Young's modulus

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The elastic-plastic indentation properties of materials with varying ratio of hardness to Young's modulus (H/E) were analyzed with the finite element method. And the indentation stress fields of materials with varying ratio H/E on the surface were studied by the experiment. The results show that the penetration depth, contact radius, plastic pileup and the degree of elastic recovery depend strongly on the ratio H/E. Moreover, graphs were established to describe the relationship between the elastic-plastic indentation parameters and H/E. The established graphs can be used to predict the H/E of materials when compared with experimental data.

  7. First-principles investigation of the elastic and thermodynamic properties of ReC2 (Re = Ho, Nd, Pr)

    Science.gov (United States)

    Huang, Wen; Chen, Haichuan

    2015-01-01

    The elastic and thermodynamic properties of ReC2 (Re = Ho, Nd, Pr) have been investigated by using the first-principles density functional theory within the generalized gradient approximation. The computed lattice constants of ReC2 are in agreement with the experimental data. The calculated elastic constants reveal that all compounds are mechanically stable. The shear modulus, Young's modulus, Poisson's ratio σ, the ratio B/G, shear anisotropy and elastic anisotropy are also calculated. Finally, the Vicker hardness, Debye temperature, melting point and thermal conductivity have been predicted.

  8. High pressure structural, elastic and vibrational properties of green energetic oxidizer ammonium dinitramide

    Science.gov (United States)

    Yedukondalu, N.; Ghule, Vikas D.; Vaitheeswaran, G.

    2016-08-01

    Ammonium DiNitramide (ADN) is one of the most promising green energetic oxidizers for future rocket propellant formulations. In the present work, we report a detailed theoretical study on structural, elastic, and vibrational properties of the emerging oxidizer under hydrostatic compression using various dispersion correction methods to capture weak intermolecular (van der Waals and hydrogen bonding) interactions. The calculated ground state lattice parameters, axial compressibilities, and equation of state are in good accord with the available experimental results. Strength of intermolecular interactions has been correlated using the calculated compressibility curves and elastic moduli. Apart from this, we also observe discontinuities in the structural parameters and elastic constants as a function of pressure. Pictorial representation and quantification of intermolecular interactions are described by the 3D Hirshfeld surfaces and 2D finger print maps. In addition, the computed infra-red (IR) spectra at ambient pressure reveal that ADN is found to have more hygroscopic nature over Ammonium Perchlorate (AP) due to the presence of strong hydrogen bonding. Pressure dependent IR spectra show blue- and red-shift of bending and stretching frequencies which leads to weakening and strengthening of the hydrogen bonding below and above 5 GPa, respectively. The abrupt changes in the calculated structural, mechanical, and IR spectra suggest that ADN might undergo a first order structural transformation to a high pressure phase around 5-6 GPa. From the predicted detonation properties, ADN is found to have high and low performance characteristics (DCJ = 8.09 km/s and PCJ = 25.54 GPa) when compared with ammonium based energetic oxidizers (DCJ = 6.50 km/s and PCJ = 17.64 GPa for AP, DCJ = 7.28 km/s and PCJ = 18.71 GPa for ammonium nitrate) and well-known secondary explosives for which DCJ = ˜8-10 km/s and PCJ = ˜30-50 GPa, respectively.

  9. Exact and Numerical Elastic Analysis for the FGM Thick-Walled Cylindrical Pressure Vessels with Exponentially-Varying Properties

    Directory of Open Access Journals (Sweden)

    Nejad M. Zamani

    2016-09-01

    Full Text Available Assuming exponential-varying properties in the radial direction and based on the elasticity theory, an exact closed-form analytical solution is obtained to elastic analysis of FGM thick-walled cylindrical pressure vessels in the plane strain condition. Following this, radial distribution of radial displacement, radial stress, and circumferential stress are plotted for different values of material inhomogeneity constant. The displacements and stresses distributions are compared with the solutions of the finite element method (FEM.

  10. The mechanical properties of the rubber elastic polymer polydimethylsiloxane for sensor applications

    Science.gov (United States)

    Lötters, J. C.; Olthuis, W.; Veltink, P. H.; Bergveld, P.

    1997-09-01

    Polydimethylsiloxane (PDMS) is a commercially available physically and chemically stable silicone rubber. It has a unique flexibility with a shear elastic modulus 0960-1317/7/3/017/img1 due to one of the lowest glass transition temperatures of any polymer 0960-1317/7/3/017/img2. Further properties of PDMS are a low change in the shear elastic modulus versus temperature 0960-1317/7/3/017/img3, virtually no change in G versus frequency and a high compressibility. Because of its clean room processability, its low curing temperature, its high flexibility, the possibility to change its functional groups and the very low drift of its properties with time and temperature, PDMS is very well suited for micromachined mechanical and chemical sensors, such as accelerometers (as the spring material) and ISFETs (as the ion selective membrane). It can also be used as an adhesive in wafer bonding, as a cover material in tactile sensors and as the mechanical decoupling zone in sensor packagings.

  11. Studies on Effective Elastic Properties of CNT/Nano-Clay Reinforced Polymer Hybrid Composite

    Science.gov (United States)

    Thakur, Arvind Kumar; Kumar, Puneet; Srinivas, J.

    2016-02-01

    This paper presents a computational approach to predict elastic propertiesof hybrid nanocomposite material prepared by adding nano-clayplatelets to conventional CNT-reinforced epoxy system. In comparison to polymers alone/single-fiber reinforced polymers, if an additional fiber is added to the composite structure, it was found a drastic improvement in resultant properties. In this regard, effective elastic moduli of a hybrid nano composite are determined by using finite element (FE) model with square representative volume element (RVE). Continuum mechanics based homogenization of the nano-filler reinforced composite is considered for evaluating the volumetric average of the stresses and the strains under different periodic boundary conditions.A three phase Halpin-Tsai approach is selected to obtain the analytical result based on micromechanical modeling. The effect of the volume fractions of CNTs and nano-clay platelets on the mechanical behavior is studied. Two different RVEs of nano-clay platelets were used to investigate the influence of nano-filler geometry on composite properties. The combination of high aspect ratio of CNTs and larger surface area of clay platelets contribute to the stiffening effect of the hybrid samples. Results of analysis are validated with Halpin-Tsai empirical formulae.

  12. First-Principles Study of Structural, Magnetic, Electronic and Elastic Properties of PuC2

    Science.gov (United States)

    Yang, Rong; Tang, Bin; Gao, Tao; Ao, Bing-Yun

    2016-10-01

    We perform first-principles calculations of crystal structure, magnetism, electronic structure, chemical bonding and elastic properties for PuC2 using the standard local spin-density approximation (LSDA)+U scheme. The use of the Hubbard term to describe the 5f electrons of plutonium is discussed according to the lattice parameters, magnetism and densities of states. Our calculated lattice constants and magnetism are in good agreement with the experimental data or other theoretical calculations. It is shown that the total densities of states at the Fermi energy level mainly come from the contribution of narrow f band. The Pu-C bonds of PuC2 have a mixture of covalent character and ionic character, while covalent character is stronger than ionic character. The C1-C2 bonding has strong covalent character because of sp2 hybridization between C atoms. Lastly, the elastic properties of PuC2 are studied. We hope that our results can provide a useful reference for further theoretical and experimental research on PuC2. Supported by the National Natural Science Foundation of China under Grant Nos. 21371160, 21401173, and the Science Challenge Program of China

  13. Elastic properties and structure of the radial artery in patients with type 2 diabetes.

    Science.gov (United States)

    Catalano, M; Scandale, G; Minola, M; Carzaniga, G; Carotta, M; Perilli, E; Dimitrov, G; Cortellazzo, A; Cinquini, M

    2009-10-01

    Alterations of elastic properties may contribute to the accelerated atherosclerosis in patients with T2D. Little is known, however, about radial artery distensibility in this patient group. A total of 19 patients with T2D and 19 controls were investigated.An echotracking system coupled to a plethysmograph was used to assess the morphologic and elastic properties of radial artery. Distensibility and compliance were evaluated using Langewouters' equations. Distensibility and compliance did not differ significantly in patients with diabetes compared with controls. In contrast, radial IMT and WCSA were significantly higher in patients with T2D than in controls. Multiple regression analyses revealed a significant association between SBP and IMT (r(2) = 0.40, p<0.001) as well as WCSA (r = 0.54; r(2) = 0.30; p<0.001 ) in individuals with diabetes. In conclusion, distensibility and compliance of the radial artery are not reduced in patients with T2D. In contrast, radial IMT and WCSA are significantly higher in patients with T2D than in controls.These modifications are chiefly and positively related to SBP.

  14. Structural stabilities, elastic and electronic properties of chromium tetraboride from first-principles calculations

    Science.gov (United States)

    Xu, C.; Li, Q.; Liu, C. M.; Duan, M. Y.; Wang, H. K.

    2016-05-01

    First-principles calculations are employed to investigate the structural and elastic properties, formation enthalpies and chemical bonding features as well as hardness values of chromium tetraboride (CrB4) with different structures. The lattice parameters, Poisson’s ratio and B/G ratio are also derived. Our calculations indicate that the orthorhombic structure with Pnnm symmetry is the most energetically stable one for CrB4. Except for WB4P63/mmc structure with imaginary frequencies, another six new structures are investigated through the full phonon dispersion calculations. Their mechanical and thermodynamic stabilities are also studied by calculating the elastic constants and formation enthalpies. Our calculations show that the thermodynamic stabilities of all these CrB4 phases can be enhanced under high pressure. The large shear moduli, Young’s moduli and hardness values indicate that these CrB4 phases are potential hard materials. Analyses of the densities of states (DOSs) and electron localization functions (ELFs) provide further understandings of the chemical and physical properties of these CrB4 phases. It is observed that the large occupations and high strengths of the B-B covalent bonds are important for the stabilities, incompressibility and hardnesses of these CrB4 phases.

  15. Study of structural, elastic, electronic and thermodynamic properties of NaAlO{sub 3}-perovskite

    Energy Technology Data Exchange (ETDEWEB)

    Bouafia, H. [Laboratoire de Microscope Electronique et Sciences des Materiaux, departement de physique, USTO, BP1505 El m' naouar, Oran (Algeria); Sahli, B. [Laboratoire de Genie Physique, Universite Ibn-Khaldoun, Tiaret 14000 (Algeria); Hiadsi, S. [Laboratoire de Microscope Electronique et Sciences des Materiaux, departement de physique, USTO, BP1505 El m' naouar, Oran (Algeria); Abidri, B., E-mail: b_abidri@hotmail.com [Laboratoire des Materiaux Magnetiques, Universite Djillali Liabes, Sidi Bel-Abbes 22000 (Algeria); Rached, D. [Laboratoire des Materiaux Magnetiques, Universite Djillali Liabes, Sidi Bel-Abbes 22000 (Algeria); Amrani, B. [Departement de Physique, Universite d' Oran es-senia (Algeria)

    2012-06-15

    The structural, elastic, electronic, and thermodynamic properties of the cubic NaAlO{sub 3}-perovskite are calculated using the full potential linearized augmented plane wave with local orbital (FP-LAPW)+lo. The exchange-correlation energy, is treated in generalized gradient approximation (GGA) using the Perdew-Burke-Ernzerhof (PBE) parameterization. The calculated equilibrium parameter is in good agreement with other works. The bulk modulus, elastic constants and their related parameters, such as Young modulus, shear modulus, and Poisson ratio were predicted. The electronic band structure of this compound has been calculated using the Angel-Vosko (EV) generalized gradient approximation (GGA) for the exchange correlation potential. We deduced that NaAlO{sub 3}-perovskite exhibit a wide-gap which it is an indirect from R to {Gamma} point. The analysis of the density of states (DOS) curves shows ionic and covalent character bond for Al-O and Na-O respectively. To complete the fundamental characterization of NaAlO{sub 3} material we have analyzed the thermodynamic properties using the quasi-harmonic Debye model.

  16. Characterization of Elastic-plastic Material Properties for IMC Layer of ENEPIG by Using Reverse Algorithm

    Science.gov (United States)

    Kim, Jong-Min; Lee, Hyun-Boo; Chang, Yoon-Suk; Choi, Jae-Boong; Kim, Young-Jin; Ji, Kum-Young

    2010-05-01

    Recently, the reliability assurance of lead-free solder to prevent environmental contamination is quite important issue for chip-scale packaging. Although lots of efforts have been devoted to the solder undergone drop, shear and creep loads, there was a little research on IMC due primarily to its thickness restriction and geometric irregularity. However, the IMC is known as the weakest layer governing failures of the solder joint. The present work is to characterize realistic material properties of the IMC for ENEPIG process. Lee's modified reverse algorithm was adopted to determine elastic-plastic stress-strain curve and so forth, after examining several methods, which requires inherently elastic data. In this context, a series of nano-indentation tests as well as corresponding simulations were carried out by changing indentation depths from 200 to 400 nm and strain rates from 0.05 to 0.10 1/s. It would be conclude that effect of strain rate is relatively small and IMC layer should be more than 5 times of indentation depth when using the recommended method, which are applicable to generate realistic material properties for further diverse structural integrity simulations.

  17. Linking the pressure dependency of elastic and electrical properties of porous rocks by a dual porosity model

    Science.gov (United States)

    Han, Tongcheng; Gurevich, Boris; Pervukhina, Marina; Clennell, Michael Ben; Zhang, Junfang

    2016-04-01

    Knowledge about the pressure dependency of elastic and electrical properties is important for a variety of geophysical applications. We present a technique to invert for the stiff and compliant porosity from velocity measurements made as a function of differential pressure on saturated sandstones. A dual porosity concept is used for dry rock compressibility and a squirt model is employed for the pressure and frequency dependent elastic properties of the rocks when saturated. The total porosity obtained from inversion shows satisfactory agreement with experimental results. The electrical cementation factor was determined using the inverted porosity in combination with measured electrical conductivity. It was found that cementation factor increased exponentially with increasing differential pressure during isostatic loading. Elastic compressibility, electrical cementation factor and electrical conductivity of the saturated rocks correlate linearly with compliant porosity, and electrical cementation factor and electrical conductivity exhibit linear correlations with elastic compressibility of the saturated rocks under loading. The results show that the dual porosity concept is sufficient to explain the pressure dependency of elastic, electrical and joint elastic-electrical properties of saturated porous sandstones.

  18. Anisotropic layered Bi2Te3-In2Te3 composites: control of interface density for tuning of thermoelectric properties

    Science.gov (United States)

    Liu, Dongmei; Li, Xinzhong; Borlido, Pedro Miguel De Castro; Botti, Silvana; Schmechel, Roland; Rettenmayr, Markus

    2017-03-01

    Layered (Bi1-xInx)2Te3-In2Te3 (x = 0.075) composites of pronounced anisotropy in structure and thermoelectric properties were produced by zone melting and subsequent coherent precipitation of In2Te3 from a (Bi1-xInx)2Te3 (x > 0.075) matrix. Employing solid state phase transformation, the Bi2Te3/In2Te3 interface density was tuned by modifying the driving force for In2Te3 precipitation. The structure-property relationship in this strongly anisotropic material is characterized thoroughly and systematically for the first time. Unexpectedly, with increasing Bi2Te3/In2Te3 interface density, an increase in electrical conductivity and a decrease in the absolute Seebeck coefficient were found. This is likely to be due to electron accumulation layers at the Bi2Te3/In2Te3 interfaces and the interplay of bipolar transport in Bi2Te3. Significantly improved thermoelectric properties of Bi2Te3-In2Te3 composites as compared to the single phase (Bi1-xInx)2Te3 solid solution are obtained.

  19. Anisotropic layered Bi2Te3-In2Te3 composites: control of interface density for tuning of thermoelectric properties

    Science.gov (United States)

    Liu, Dongmei; Li, Xinzhong; Borlido, Pedro Miguel de Castro; Botti, Silvana; Schmechel, Roland; Rettenmayr, Markus

    2017-01-01

    Layered (Bi1−xInx)2Te3-In2Te3 (x = 0.075) composites of pronounced anisotropy in structure and thermoelectric properties were produced by zone melting and subsequent coherent precipitation of In2Te3 from a (Bi1−xInx)2Te3 (x > 0.075) matrix. Employing solid state phase transformation, the Bi2Te3/In2Te3 interface density was tuned by modifying the driving force for In2Te3 precipitation. The structure-property relationship in this strongly anisotropic material is characterized thoroughly and systematically for the first time. Unexpectedly, with increasing Bi2Te3/In2Te3 interface density, an increase in electrical conductivity and a decrease in the absolute Seebeck coefficient were found. This is likely to be due to electron accumulation layers at the Bi2Te3/In2Te3 interfaces and the interplay of bipolar transport in Bi2Te3. Significantly improved thermoelectric properties of Bi2Te3-In2Te3 composites as compared to the single phase (Bi1−xInx)2Te3 solid solution are obtained. PMID:28272541

  20. Large Scale FEM of the effective elastic properties of particle reinforced composites

    DEFF Research Database (Denmark)

    Rauhe, Jens Christian; Pyrz, Ryszard; Lund, Erik

    2004-01-01

    Over the years several methods have been proposed for the determination of the effective elastic properties of particle reinforced composites. The material microstructures used in the present analysis is a real microstructure and a numerically generated microstructure. X-ray microtomography is used...... to determine the material microstructure and with this method the interior microstructure is determined in a non-destructive way. Using the commercially available equipment, SkyScan 1072, the maximum resolution is approximately 5 microns. The data obtained from the tomographic examination is used to generate...... three-dimensional finite element models of the microstructure. The models contain a large number of elements, up to 1 million, and are solved iteratively using an element-by-element formalism. Models containing 100 particles have been statistically generated and the material properties of each particle...

  1. Effect of the substitution of f-electron elements on the structure and elastic properties of UO2

    Science.gov (United States)

    Behera, Rakesh K.; Deo, Chaitanya S.; Xu, Haixuan

    2013-02-01

    The chemistry of nuclear reactor fuel initially is complex, and continuous loss of uranium and plutonium, and formation of a broad range of new species due to fission introduce a challenging time-dependence to this chemistry. Lanthanides and/or Actinides substitution on the uranium sublattice occurs (a) during fission, (b) when mixed oxide fuel is used, and (c) when minor Actinides are reprocessed in UO2 matrix fuel as part of a closed nuclear fuel cycle. These fission products and minor Actinides influence a variety of thermo-physical properties, which depend on structure and elastic properties. How these structural and elastic properties vary with Lanthanide and Actinide substitution is not well studied. In this study we use atomic level simulations to investigate the effect of 4+ and 3+ ion substitutions on the structural and elastic properties of urania matrix. Our results show that most of the 4+ ions reduce the overall lattice parameter, while all the 3+ ions considered here increased the lattice parameter of the urania matrix. This effect is guided by the interplay between the elastic and electrostatic effect of the substituted ions. We calculate the chemical expansion and chemical expansion coefficient with the change in concentration based on the ionic radii of the substituted 3+ and 4+ ions. In general, elastic properties are enhanced for 4+ ions substitution and reduced for 3+ ion substitution.

  2. Molecular anisotropic magnetoresistance

    Science.gov (United States)

    Otte, Fabian; Heinze, Stefan; Mokrousov, Yuriy

    2015-12-01

    Using density functional theory calculations, we demonstrate that the effect of anisotropic magnetoresistance (AMR) can be enhanced by orders of magnitude with respect to conventional bulk ferromagnets in junctions containing molecules sandwiched between ferromagnetic leads. We study ballistic transport in metal-benzene complexes contacted by 3 d transition-metal wires. We show that a gigantic AMR can arise from spin-orbit coupling effects in the leads, drastically enhanced by orbital-symmetry filtering properties of the molecules. We further discuss how this molecular anisotropic magnetoresistance (MAMR) can be tuned by the proper choice of materials and their electronic properties.

  3. On the relativistic anisotropic configurations

    Energy Technology Data Exchange (ETDEWEB)

    Shojai, F. [University of Tehran, Department of Physics, Tehran (Iran, Islamic Republic of); Institute for Research in Fundamental Sciences (IPM), Foundations of Physics Group, School of Physics, Tehran (Iran, Islamic Republic of); Kohandel, M. [Alzahra University, Department of Physics and Chemistry, Tehran (Iran, Islamic Republic of); Stepanian, A. [University of Tehran, Department of Physics, Tehran (Iran, Islamic Republic of)

    2016-06-15

    In this paper we study anisotropic spherical polytropes within the framework of general relativity. Using the anisotropic Tolman-Oppenheimer-Volkov equations, we explore the relativistic anisotropic Lane-Emden equations. We find how the anisotropic pressure affects the boundary conditions of these equations. Also we argue that the behavior of physical quantities near the center of star changes in the presence of anisotropy. For constant density, a class of exact solution is derived with the aid of a new ansatz and its physical properties are discussed. (orig.)

  4. Carotid intima-media thickness and elastic properties of aortas in normotensive children of hypertensive parents.

    Science.gov (United States)

    Yildirim, Ali; Kosger, Pelin; Ozdemir, Gokmen; Sahin, Fezan Mutlu; Ucar, Birsen; Kilic, Zubeyir

    2015-09-01

    A significant correlation between hypertension history and high blood pressure has been observed with regard to age, race and gender. Investigating carotid intima-media thickness and aortic stiffness prior to the development of hypertension in children of hypertensive parents enabled us to evaluate these patients for subclinical atherosclerosis. We compared carotid intima-media thickness, aortic strain, distensibility, stiffness indices and elastic modulus in 67 normotensive children whose parents had a diagnosis of essential hypertension and 39 normotensive children with no parental history of hypertension. Although there were no significant differences between the two groups in terms of systolic blood pressure, diastolic blood pressure, average blood pressure and pulse pressure (P>0.05), systolic blood pressures were higher among patients 15 years and older in the study group. No significant differences were noted between the control and study groups regarding interventricular septal thickness, left-ventricular posterior wall thickness, left-ventricular systolic and diastolic diameter and aortic annulus diameter (P>0.05). The left atrium diameter was larger in the study group compared with that in the control group, mainly because of the values of the 15-year-old and older children (P=0.01). The mean, maximum and minimum values of carotid intima-media thickness were significantly different in the study group compared with the control group among all age groups (Pchildren of hypertensive parents compared with the control group (P=0.014, P=0.001, respectively). Although there were no differences between the study and control groups regarding aortic strain, aortic distensibility, elastic modulus and stiffness indices (P>0.05), aortic distensibility was lower, and aortic stiffness indices were higher among children 15 years and older in the study group. An increase in the carotid intima-media thickness in all age groups and a decrease in aortic elastic properties in

  5. Microstructure, elastic deformation behavior and mechanical properties of biomedical β-type titanium alloy thin-tube used for stents.

    Science.gov (United States)

    Tian, Yuxing; Yu, Zhentao; Ong, Chun Yee Aaron; Kent, Damon; Wang, Gui

    2015-05-01

    Cold-deformability and mechanical compatibility of the biomedical β-type titanium alloy are the foremost considerations for their application in stents, because the lower ductility restricts the cold-forming of thin-tube and unsatisfactory mechanical performance causes a failed tissue repair. In this paper, β-type titanium alloy (Ti-25Nb-3Zr-3Mo-2Sn, wt%) thin-tube fabricated by routine cold rolling is reported for the first time, and its elastic behavior and mechanical properties are discussed for the various microstructures. The as cold-rolled tube exhibits nonlinear elastic behavior with large recoverable strain of 2.3%. After annealing and aging, a nonlinear elasticity, considered as the intermediate stage between "double yielding" and normal linear elasticity, is attributable to a moderate precipitation of α phase. Quantitive relationships are established between volume fraction of α phase (Vα) and elastic modulus, strength as well as maximal recoverable strain (εmax-R), where the εmax-R of above 2.0% corresponds to the Vα range of 3-10%. It is considered that the "mechanical" stabilization of the (α+β) microstructure is a possible elastic mechanism for explaining the nonlinear elastic behavior.

  6. A multiscale framework for the simulation of the anisotropic mechanical behavior of shale

    CERN Document Server

    Li, Weixin; Jin, Congrui; Zhou, Xinwei; Cusatis, Gianluca

    2016-01-01

    Shale, like many other sedimentary rocks, is typically heterogeneous, anisotropic, and is characterized by partial alignment of anisotropic clay minerals and naturally formed bedding planes. In this study, a micromechanical framework based on the Lattice Discrete Particle Model (LDPM) is formulated to capture these features. Material anisotropy is introduced through an approximated geometric description of shale internal structure, which includes representation of material property variation with orientation and explicit modeling of parallel lamination. The model is calibrated by carrying out numerical simulations to match various experimental data, including the ones relevant to elastic properties, Brazilian tensile strength, and unconfined compressive strength. Furthermore, parametric study is performed to investigate the relationship between the mesoscale parameters and the macroscopic properties. It is shown that the dependence of the elastic stiffness, strength, and failure mode on loading orientation ca...

  7. Anisotropic viscoelastic properties of quartz and quartzite in the vicinity of the α-β phase transition

    Science.gov (United States)

    Klumbach, Steffen; Schilling, Frank R.

    2017-04-01

    In this study we performed high-temperature, dynamic (i.e. sinusoidal), three-point bending experiments of quartz single crystals and quartzite samples within the frequency range of seismic surveys (i.e. 0.1-20 Hz). At constant temperature close to the α-β phase transition we observed a unique complex elastic behaviour of both quartz and quartzite. We find a frequency dependence of the complex Young's modulus of α-quartz, including a dissipation maximum at ≈1 Hz supposedly related to the formation and variation of Dauphiné twin domains. Based on our experimental results for different crystallographic directions and additional modelling, we are able to describe the complex Young's modulus of quartz at its α-β phase transition in a 3D diagram. We derive a frequency-dependent elasticity tensor, using a three-element equivalent circuit, composed of two springs E 1 and E 2 as well as a dashpot η. E 1 and η are connected parallel to each other, E 2 is added in series. Compliance coefficients yield (S 11) E 1 = 572 GPa, E 2 = 70.0 GPa, η = 64.6 GPa·s, (S 33) E 1 = 127 GPa, E 2 = 52.1 GPa, η = 22.9 GPa·s, (S 44) E 1 = 204 GPa, E 2 = 37.5 GPa, η = 26.4 GPa·s, (S 12) E 1 = 612 GPa, E 2 = 106.7 GPa, η = 78.5 GPa·s, (S 13) E 1 = 1546 GPa, E 2 = 284 GPa, η = 200 GPa·s; S 14 ≈-0.0024 GPa-1. We use the derived direction-dependent coefficients to predict the frequency-dependent complex elastic properties of isotropic polycrystalline quartz. These predictions agree well with the experimental results of the investigated quartzite. Finally, we explore the potential of using the anomalous frequency-dependent complex elastic properties of quartz at the α-β phase transition that we observed as an in situ temperature probe for seismic studies of the Earth's continental crust.

  8. Characterization and assessment of hyperelastic and elastic properties of decellularized human adipose tissues.

    Science.gov (United States)

    Omidi, Ehsan; Fuetterer, Lydia; Reza Mousavi, Seyed; Armstrong, Ryan C; Flynn, Lauren E; Samani, Abbas

    2014-11-28

    Decellularized adipose tissue (DAT) has shown potential as a regenerative scaffold for plastic and reconstructive surgery to augment or replace damaged or missing adipose tissue (e.g. following lumpectomy or mastectomy). The mechanical properties of soft tissue substitutes are of paramount importance in restoring the natural shape and appearance of the affected tissues, and mechanical mismatching can lead to unpredictable scar tissue formation and poor implant integration. The goal of this work was to assess the linear elastic and hyperelastic properties of decellularized human adipose tissue and compare them to those of normal breast adipose tissue. To assess the influence of the adipose depot source on the mechanical properties of the resultant decellularized scaffolds, we performed indentation tests on DAT samples sourced from adipose tissue isolated from the breast, subcutaneous abdominal region, omentum, pericardial depot and thymic remnant, and their corresponding force-displacement data were acquired. Elastic and hyperelastic parameters were estimated using inverse finite element algorithms. Subsequently, a simulation was conducted in which the estimated hyperelastic parameters were tested in a real human breast model under gravity loading in order to assess the suitability of the scaffolds for implantation. Results of these tests showed that in the human breast, the DAT would show similar deformability to that of native normal tissue. Using the measured hyperelastic parameters, we were able to assess whether DAT derived from different depots exhibited different intrinsic nonlinearities. Results showed that DAT sourced from varying regions of the body exhibited little intrinsic nonlinearity, with no statistically significant differences between the groups. Copyright © 2014 Elsevier Ltd. All rights reserved.

  9. Structural, electronic and elastic properties of REIr2 (RE = Sc, Y and La) Laves phase compounds under pressure

    Science.gov (United States)

    Shrivastava, D.; Sanyal, S. P.

    2017-02-01

    The structural, electronic and elastic properties of REIr2 (RE = Sc, Y and La) type Laves phase compounds in C15 structure have been studied using full-potential linearized augmented plane wave method with generalized gradient approximation based on density functional theory. The ground state properties such as lattice constants are in good agreement with the experimental results. The electronic properties such as band structures, total and partial density of states confirm their metallic character. The pressure dependent behavior of density of states are also calculated and found that they are structurally stable. The elastic constants calculated as a function of pressure for all REIr2 (RE = Sc, Y and La) type compounds. The others secondary elasticity parameters are also reported. The results show that all REIr2 (RE = Sc, Y and La) compounds are ductile according to the analysis of B0/ G H and Cauchy's pressure.

  10. Changes in the mechanical properties and microstructure of anisotropic austenitic stainless sheet steel after uniaxial tensile test

    Directory of Open Access Journals (Sweden)

    Yankov Emil

    2017-01-01

    Full Text Available The aim of the investigation is to study the changes in the characteristics of an austenitic sheet material X5CrNi18-10 (1.4301, AISI 304 after a plastic deformation. Samples are cut out from the sheet material at three different directions - 0°, 45° and 90° angle to the rolling direction. The changes in the mechanical properties and microstructure of the anisotropic austenitic steel are investigated by mechanical tests (uniaxial tension tests and hardness measurements and structural analyses (optical and scanning electron microscopy, X-ray diffraction. It is established that the strain induced phase transformation of the metastable austenite to martensite during the tension tests changes the magnetic properties of the steel. It is found out that the sheet anisotropy effect on the uniform deformation, the thickness reduction and structure of the austenite sheet material is more essential for the plastic deformation behaviour than the strain-induced γ → α′ phase transformation.

  11. Prediction of fish body's passive visco-elastic properties and related muscle mechanical performance in vivo during steady swimming

    Science.gov (United States)

    Zhang, Wei; Yu, YongLiang; Tong, BingGang

    2014-01-01

    For attaining the optimized locomotory performance of swimming fishes, both the passive visco-elastic properties of the fish body and the mechanical behavior of the active muscles should coordinate with the fish body's undulatory motion pattern. However, it is difficult to directly measure the visco-elastic constitutive relation and the muscular mechanical performance in vivo. In the present paper, a new approach based on the continuous beam model for steady swimming fish is proposed to predict the fish body's visco-elastic properties and the related muscle mechanical behavior in vivo. Given the lateral travelling-wave-like movement as the input condition, the required muscle force and the energy consumption are functions of the fish body's visco-elastic parameters, i.e. the Young's modulus E and the viscosity coefficient µ in the Kelvin model. After investigating the variations of the propagating speed of the required muscle force with the fish body's visco-elastic parameters, we analyze the impacts of the visco-elastic properties on the energy efficiencies, including the energy utilization ratios of each element of the kinematic chain in fish swimming and the overall efficiency. Under the constraints of reasonable wave speed of muscle activation and the physiological feasibility, the optimal design of the passive visco-elastic properties can be predicted aiming at maximizing the overall efficiency. The analysis is based on the small-amplitude steady swimming of the carangiform swimmer, with typical Reynolds number varying from 2.5×104 to 2.5×105, and the present results show that the non-dimensional Young's modulus is 112±34, and the non-dimensional viscosity coefficient is 13 approximately. In the present estimated ranges, the overall efficiency of the swimming fish is insensitive to the viscosity, and its magnitude is about 0.11±0.02, in the predicted range given by previous study.

  12. Ultrasonic measurement of the elastic properties of ultra-high performance concrete (UHPC)

    Science.gov (United States)

    Washer, Glenn; Fuchs, Paul; Rezai, Ali; Ghasemi, Hamid

    2005-05-01

    This paper discusses research to develop ultrasonic methods for materials characterization of an innovative new material known as Reactive Powder Concrete (RPC). Also known as Ultra-high performance concrete (UHPC), this relatively new material has been proposed for the construction of civil structures. UHPC mix designs typically include no aggregates larger than sand, and include steel fibers 0.2 mm in diameter and 12 mm in length. These steel fibers increase the strength and toughness of the UHPC significantly relative to more traditional concretes. Compressive strengths of 200 to 800 MPa have been achieved with UHPC, compared with maximum compressive strength of 50 to 100 MPa for more traditional concrete materials. Young"s modulus of 50 to 60 GPa are common for UHPC. However, the curing methods employed have a significant influence on the strength and modulus of UHPC. This paper reports on the development of ultrasonic methods for monitoring the elastic properties of UHPC under a series of curing scenarios. Ultrasonic velocity measurements are used to estimate the bulk elastic modulus of UHPC and results are compared with traditional, destructive methods. Measurements of shear moduli and Poisson's ratio based on ultrasonic velocity are also reported. The potential for the development of quality control techniques for the future implementation of UHPC is discussed.

  13. First-principles investigation on elastic and thermodynamic properties of Pnnm-CN under high pressure

    Science.gov (United States)

    Ya-Ru, Zhao; Hai-Rong, Zhang; Gang-Tai, Zhang; Qun, Wei; Yu-Quan, Yuan

    2016-12-01

    The elastic anisotropy and thermodynamic properties of the recently synthesized Pnnm-CN have been investigated using first-principles calculations under high temperature and high pressure. The calculated equilibrium crystal parameters and normalized volume dependence of the resulting pressure agree with available experimental and theoretical results. Within the considered pressure range of 0-90 GPa, the dependences of the bulk modulus, Young's modulus, and shear modulus on the crystal orientation for Pnnm-CN have been systematically studied. The results show that the Pnnm-CN exhibits a well-pronounced elastic anisotropy. The incompressibility is largest along the c-axis. For tension or compression loading, the Pnnm-CN is stiffest along [001] and the most obedient along [100] direction. On the basis of the quasi-harmonic Debye model, we have explored the Debye temperature, heat capacity, thermal expansion coefficient, and Grüneisen parameters within the pressure range of 0-90 GPa and temperature range of 0-1600K.

  14. Structural, electronic, and elastic properties of K-As compounds: a first principles study.

    Science.gov (United States)

    Ozisik, Havva Bogaz; Colakoglu, Kemal; Deligoz, Engin; Ozisik, Haci

    2012-07-01

    First-principle calculations are performed to investigate the structural, elastic and electronic properties of K-As compounds (KAs in NaP, LiAs and AuCu-type structures, KAs(2) in MgCu(2)-type structure, K(3)As in Na(3)As, Cu(3)P and Li(3)Bi-type structures, and K(5)As(4) in A(5)B(4)-type structure). The lattice parameters, cohesive energy, formation energy, bulk modulus, and the first derivative of bulk modulus (to fit to the Murnaghan's equation of state) of the considered structures are calculated and reasonable agreement is obtained, and the phase transition pressure is also predicted. The repeated calculations on the electronic band structures and the related partial density of states are also given. The calculated second-order elastic constants based on the stress-strain method and the other related quantities such as Young's modulus, shear modulus, Poisson's ratio, sound velocities, Debye temperature, and shear anisotropy factors for considered structures are presented, and trends are discussed.

  15. High-pressure and temperature-induced structural, elastic, and thermodynamical properties of strontium chalcogenides

    Science.gov (United States)

    Varshney, Dinesh; Jain, S.; Shriya, S.; Khenata, R.

    2016-09-01

    Pressure- and temperature-dependent mechanical, elastic, and thermodynamical properties of rock salt to CsCl structures in semiconducting Sr X ( X = O, S, Se, and Te) chalcogenides are presented based on model interatomic interaction potential with emphasis on charge transfer interactions, covalency effect, and zero point energy effects apart from long-range Coulomb, short-range overlap repulsion extended and van der Waals interactions. The developed potential with non-central forces validates the Cauchy discrepancy among elastic constants. The volume collapse ( V P/ V 0) in terms of compressions in Sr X at higher pressure indicates the mechanical stiffening of lattice. The expansion of Sr X lattice is inferred from steep increase in V T/ V 0 and is attributed to thermal softening of Sr X lattice. We also present the results for the temperature-dependent behaviors of hardness, heat capacity, and thermal expansion coefficient. From the Pugh's ratio (ϕ = B T /G H), the Poisson's ratio ( ν) and the Cauchy's pressure ( C 12- C 44), we classify SrO as ductile but SrS, SrSe, and SrTe are brittle material. To our knowledge these are the first quantitative theoretical prediction of the pressure and temperature dependence of mechanical stiffening, thermally softening, and brittle nature of Sr X ( X = O, S, Se, and Te) and still await experimental confirmations.

  16. High-pressing preparation of rock glasses and their elastic properties

    Institute of Scientific and Technical Information of China (English)

    JIANG Xi; ZHOU Wenge; XIE Hongsen; LIU Yonggang; FAN Dawei; WAN Fang

    2008-01-01

    Melt glasses for seven types of rock ranging from acid to basic were prepared under 1.0 GPa on a multi-anvil pressure apparatus, YJ-3000 ton press. Densities and elastic properties of the melt glasses were compared with those described in previous studies. It was found that the glasses melted under 1.0 GPa were consistent in density with both naturally-occurring glassy rocks and artificially prepared glasses melted at ambient pressure. The densities of glasses are negatively correlated with the SiO2 contents and positively correlated with the (MgO+FeO) contents. The compressive velocity (Vp) of glass tends to increase with decreasing SiO2 contents and increasing (MgO+FeO) contents. The shear velocity (Vs) of glass tends to increase slightly with increasing SiO2 contents, which has little connection with the (MgO+FeO) contents. It was calculated from densities and velocities that the elastic moduli of glasses are negatively correlated with the SiO2 contents and positively correlated with the (MgO+FeO) contents.

  17. Contribution of molecular flexibility to the elastic-plastic properties of molecular crystal α-RDX

    Science.gov (United States)

    Pal, Anirban; Picu, Catalin R.

    2017-01-01

    We show in this work that the mechanical properties of molecular crystals are strongly affected by the flexibility of the constituent molecules. To this end, we explore several kinematically restrained models of the molecular crystal cyclotrimethylene trinitramine in the α phase. We evaluate the effect of gradually removing the flexibility of the molecule on various crystal-scale parameters such as the elastic constants, the lattice parameters, the thermal expansion coefficients, the stacking fault energy and the critical stress for the motion of a dislocation (the Peierls-Nabarro stress). The values of these parameters evaluated with the fully refined, fully flexible atomistic model of the crystal are taken as reference. It is observed that the elastic constants, the lattice parameters and their dependence on pressure, and the thermal expansion coefficient can be accurately predicted with models that consider the NO2 and CH2 groups rigid, and the N-N bonds and the bonds of the triazine ring inextensible. Eliminating the dihedral flexibility of the ring leads to larger errors. The model in which the entire molecule is considered rigid or is mapped to a blob leads to even larger errors. Only the fully flexible, reference model provides accurate values for the stacking fault energy and the Peierls-Nabarro critical stress. Removing any component of the molecular flexibility leads to large errors in these parameters. These results also provide guidance for the development of coarse grained models of molecular crystals.

  18. System of elastic hard spheres which mimics the transport properties of a granular gas.

    Science.gov (United States)

    Santos, Andrés; Astillero, Antonio

    2005-09-01

    The prototype model of a fluidized granular system is a gas of inelastic hard spheres (IHS) with a constant coefficient of normal restitution alpha. Using a kinetic theory description we investigate the two basic ingredients that a model of elastic hard spheres (EHS) must have in order to mimic the most relevant transport properties of the underlying IHS gas. First, the EHS gas is assumed to be subject to the action of an effective drag force with a friction constant equal to half the cooling rate of the IHS gas, the latter being evaluated in the local equilibrium approximation for simplicity. Second, the collision rate of the EHS gas is reduced by a factor (1/2)(1+alpha), relative to that of the IHS gas. Comparison between the respective Navier-Stokes transport coefficients shows that the EHS model reproduces almost perfectly the self-diffusion coefficient and reasonably well the two transport coefficients defining the heat flux, the shear viscosity being reproduced within a deviation less than 14% (for alpha > or = 0.5). Moreover, the EHS model is seen to agree with the fundamental collision integrals of inelastic mixtures and dense gases. The approximate equivalence between IHS and EHS is used to propose kinetic models for inelastic collisions as simple extensions of known kinetic models for elastic collisions.

  19. First-principles investigation on elastic and thermodynamic properties of Pnnm-CN under high pressure

    Science.gov (United States)

    Ya-Ru, Zhao; Hai-Rong, Zhang; Gang-Tai, Zhang; Qun, Wei; Yu-Quan, Yuan

    2016-01-01

    The elastic anisotropy and thermodynamic properties of the recently synthesized Pnnm-CN have been investigated using first-principles calculations under high temperature and high pressure. The calculated equilibrium crystal parameters and normalized volume dependence of the resulting pressure agree with available experimental and theoretical results. Within the considered pressure range of 0–90 GPa, the dependences of the bulk modulus, Young’s modulus, and shear modulus on the crystal orientation for Pnnm-CN have been systematically studied. The results show that the Pnnm-CN exhibits a well-pronounced elastic anisotropy. The incompressibility is largest along the c-axis. For tension or compression loading, the Pnnm-CN is stiffest along [001] and the most obedient along [100] direction. On the basis of the quasi-harmonic Debye model, we have explored the Debye temperature, heat capacity, thermal expansion coefficient, and Grüneisen parameters within the pressure range of 0–90 GPa and temperature range of 0–1600K. PMID:28090376

  20. First-principles investigation on elastic and thermodynamic properties of Pnnm-CN under high pressure

    Directory of Open Access Journals (Sweden)

    Zhao Ya-Ru

    2016-12-01

    Full Text Available The elastic anisotropy and thermodynamic properties of the recently synthesized Pnnm-CN have been investigated using first-principles calculations under high temperature and high pressure. The calculated equilibrium crystal parameters and normalized volume dependence of the resulting pressure agree with available experimental and theoretical results. Within the considered pressure range of 0–90 GPa, the dependences of the bulk modulus, Young’s modulus, and shear modulus on the crystal orientation for Pnnm-CN have been systematically studied. The results show that the Pnnm-CN exhibits a well-pronounced elastic anisotropy. The incompressibility is largest along the c-axis. For tension or compression loading, the Pnnm-CN is stiffest along [001] and the most obedient along [100] direction. On the basis of the quasi-harmonic Debye model, we have explored the Debye temperature, heat capacity, thermal expansion coefficient, and Grüneisen parameters within the pressure range of 0–90 GPa and temperature range of 0–1600K.