Elastic properties of uniaxial-fiber reinforced composites - General features

NASA Astrophysics Data System (ADS)

Datta, Subhendu; Ledbetter, Hassel; Lei, Ming

The salient features of the elastic properties of uniaxial-fiber-reinforced composites are examined by considering the complete set of elastic constants of composites comprising isotropic uniaxial fibers in an isotropic matrix. Such materials exhibit transverse-isotropic symmetry and five independent elastic constants in Voigt notation: C(11), C(33), C(44), C(66), and C(13). These C(ij) constants are calculated over the entire fiber-volume-fraction range 0.0-1.0, using a scattered-plane-wave ensemple-average model. Some practical elastic constants such as the principal Young moduli and the principal Poisson ratios are considered, and the behavior of these constants is discussed. Also presented are the results for the four principal sound velocities used to study uniaxial-fiber-reinforced composites: v(11), v(33), v(12), and v(13).

Pressure Dependences of Elastic Constants of AMg6 Aluminum-Magnesium Alloy and n-AMg6/C60 Nanocomposite Alloy

NASA Astrophysics Data System (ADS)

Prokhorov, V. M.; Gromnitskaya, E. L.

2018-04-01

The ultrasonic study results for dependence of the elastic wave velocities and second-order elasticity coefficients of the polycrystalline aluminum alloy AMg6 and its nanocomposite n-AMg6/C60 on hydrostatic pressure up to 1.6 GPa have been described. The ultrasonic research has been carried out using a highpressure ultrasonic piezometer based on the piston-cylinder device. The pressure derivatives of the secondorder elastic constants of these materials established in the present study have been compared with the results of the third-order elastic constants measurements of the test alloys using the Thurston-Brugger method. Involving available literature data, we determined the relationships between the pressure derivatives of the second-order elastic constants of the AMg6 alloy and the Mg-content and nanostructuring.

Hydrostatic pressure effects on the structural, elastic and thermodynamic properties of the complex transition metal hydrides A2OsH6 (A = Mg, Ca, Sr and Ba)

NASA Astrophysics Data System (ADS)

Souadia, Z.; Bouhemadou, A.; Boudrifa, O.; Bin-Omran, S.; Khenata, R.; Al-Douri, Y.

2017-10-01

We report a systematic first-principles density functional theory study on the pressure dependence of the structural parameters, elastic constants and related properties and thermodynamic properties of the complex transition metal hydrides Mg2OsH6, Ca2OsH6, Sr2OsH6 and Ba2OsH6. The calculated structural parameters are in excellent agreement with the existing data in the scientific literature. The single-crystal elastic constants and related properties were predicted using the stress-strain method. The elastic moduli of the polycrystalline aggregates were evaluated via the Voigt-Reuss-Hill approach. The dependences of the lattice parameter, bulk modulus, volume thermal expansion coefficient, isobaric and isochoric heat capacity and Debye temperature on the pressure and temperature, ranging from 0 to 15 GPa and from 0 to 1000 K, respectively, were investigated using the quasi-harmonic Debye model in combination with first-principles calculations.

Temperature Dependence Of Elastic Constants Of Polymers

NASA Technical Reports Server (NTRS)

Simha, Robert; Papazoglou, Elisabeth

1989-01-01

Two papers extend theory of elastic constants of disordered solids to finite temperatures below glass-transition temperatures. First paper, entitled "Elastic Constants of Disordered Solids II: Temperature Dependence," applies to cryogenic temperatures. Second paper, entitled "Theory of Thermoelastic Properties for Polymer Glasses," develops unified treatment for static compressional and elongational properties at temperatures up to glass-transition temperatures.

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

PubMed

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

2011-11-01

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

Elastic constants of hcp 4He: Path-integral Monte Carlo results versus experiment

NASA Astrophysics Data System (ADS)

Ardila, Luis Aldemar Peña; Vitiello, Silvio A.; de Koning, Maurice

2011-09-01

The elastic constants of hcp 4He are computed using the path-integral Monte Carlo (PIMC) method. The stiffness coefficients are obtained by imposing different distortions to a periodic cell containing 180 atoms, followed by measurement of the elements of the corresponding stress tensor. For this purpose an appropriate path-integral expression for the stress tensor observable is derived and implemented into the pimc++ package. In addition to allowing the determination of the elastic stiffness constants, this development also opens the way to an explicit atomistic determination of the Peierls stress for dislocation motion using the PIMC technique. A comparison of the results to available experimental data shows an overall good agreement of the density dependence of the elastic constants, with the single exception of C13. Additional calculations for the bcc phase, on the other hand, show good agreement for all elastic constants.

Ab initio predictions of structural and elastic properties of struvite: contribution to urinary stone research.

PubMed

Piechota, Jacek; Prywer, Jolanta; Torzewska, Agnieszka

2012-01-01

In the present work, we carried out density functional calculations of struvite--the main component of the so-called infectious urinary stones--to study its structural and elastic properties. Using a local density approximation and a generalised gradient approximation, we calculated the equilibrium structural parameters and elastic constants C(ijkl). At present, there is no experimental data for these elastic constants C (ijkl) for comparison. Besides the elastic constants, we also present the calculated macroscopic mechanical parameters, namely the bulk modulus (K), the shear modulus (G) and Young's modulus (E). The values of these moduli are found to be in good agreement with available experimental data. Our results imply that the mechanical stability of struvite is limited by the shear modulus, G. The study also explores the energy-band structure to understand the obtained values of the elastic constants.

The anisotropic Hooke's law for cancellous bone and wood.

PubMed

Yang, G; Kabel, J; van Rietbergen, B; Odgaard, A; Huiskes, R; Cowin, S C

A method of data analysis for a set of elastic constant measurements is applied to data bases for wood and cancellous bone. For these materials the identification of the type of elastic symmetry is complicated by the variable composition of the material. The data analysis method permits the identification of the type of elastic symmetry to be accomplished independent of the examination of the variable composition. This method of analysis may be applied to any set of elastic constant measurements, but is illustrated here by application to hardwoods and softwoods, and to an extraordinary data base of cancellous bone elastic constants. The solid volume fraction or bulk density is the compositional variable for the elastic constants of these natural materials. The final results are the solid volume fraction dependent orthotropic Hooke's law for cancellous bone and a bulk density dependent one for hardwoods and softwoods.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, N.; Setyawan, W.; Zhang, S. H.

2017-07-01

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

Investigation of structural, electronic, elastic and optical properties of Cd1-x-yZnxHgyTe alloys

NASA Astrophysics Data System (ADS)

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.

Quantitative non-destructive evaluation of composite materials based on ultrasonic wave propagation

NASA Technical Reports Server (NTRS)

Miller, J. G.

1986-01-01

The application and interpretation of specific ultrasonic nondestructive evaluation techniques are studied. The Kramers-Kronig or generalized dispersion relationships are applied to nondestructive techniques. Progress was made on an improved determination of material properties of composites inferred from elastic constant measurements.

On the anisotropic elastic properties of hydroxyapatite.

NASA Technical Reports Server (NTRS)

Katz, J. L.; Ukraincik, K.

1971-01-01

Experimental measurements of the isotropic elastic moduli on polycrystalline specimens of hydroxyapatite and fluorapatite are compared with elastic constants measured directly from single crystals of fluorapatite in order to derive a set of pseudo single crystal elastic constants for hydroxyapatite. The stiffness coefficients thus derived are given. The anisotropic and isotropic elastic properties are then computed and compared with similar properties derived from experimental observations of the anisotropic behavior of bone.

Nuclear-relaxed elastic and piezoelectric constants of materials: Computational aspects of two quantum-mechanical approaches.

PubMed

Erba, Alessandro; Caglioti, Dominique; Zicovich-Wilson, Claudio Marcelo; Dovesi, Roberto

2017-02-15

Two alternative approaches for the quantum-mechanical calculation of the nuclear-relaxation term of elastic and piezoelectric tensors of crystalline materials are illustrated and their computational aspects discussed: (i) a numerical approach based on the geometry optimization of atomic positions at strained lattice configurations and (ii) a quasi-analytical approach based on the evaluation of the force- and displacement-response internal-strain tensors as combined with the interatomic force-constant matrix. The two schemes are compared both as regards their computational accuracy and performance. The latter approach, not being affected by the many numerical parameters and procedures of a typical quasi-Newton geometry optimizer, constitutes a more reliable and robust mean to the evaluation of such properties, at a reduced computational cost for most crystalline systems. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

First-principles calculation of the structural and elastic properties of ternary metal nitrides TaxMo1-xN and TaxW1-xN

NASA Astrophysics Data System (ADS)

Bouamama, Kh.; Djemia, P.; Benhamida, M.

2015-09-01

First-principles pseudo-potentials calculations of the mixing enthalpy, of the lattice constants a0 and of the single-crystal elastic constants cij for ternary metal nitrides TaxMe1-xN (Me=Mo or W) alloys considering the cubic B1-rocksalt structure is carried out. For disordered ternary alloys, we employ the virtual crystal approximation VCA in which the alloy pseudopotentials are constructed within a first-principles VCA scheme. The supercell method SC is also used for ordered structures in order to evaluate clustering effects. We find that the mixing enthalpy still remains negative for TaxMe1-xN alloys in the whole composition range which implies these cubic TaxMo1-xN and TaxW1-xN ordered solid solutions are stable. We investigate the effect of Mo and W alloying on the trend of the mechanical properties of TaN. The effective shear elastic constant c44, the Cauchy pressure (c12-c44), and the shear to bulk modulus G/B ratio are used to discuss, respectively, the mechanical stability of the ternary structure and the brittle/ductile behavior in reference to TaN, MeN alloys. We determine the onset transition from the unstable structure to the stable one B1-rocksalt from the elastic stability criteria when alloying MeN with Ta. In a second stage, in the frame of anisotropic elasticity, we estimate by one homogenization method the averaged constants of the polycrystalline TaxMe1-xN alloys considering the special case of an isotropic medium with no crystallographic texture.

Third-order elastic constants of diamond determined from experimental data

DOE PAGES

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

2016-06-01

The pressure derivatives of the second-order elastic constants (SOECs) of diamond were determined by analyzing previous sound velocity measurements under hydrostatic stress [McSkimin and Andreatch, J. Appl. Phys. 43, 294 (1972)]. Furthermore, our analysis corrects an error in the previously reported results.We present a complete and corrected set of third-order elastic constants (TOECs) using the corrected pressure derivatives, together with published data for the nonlinear elastic response of shock compressed diamond [Lang and Gupta, Phys. Rev. Lett. 106, 125502 (2011)] and it differs significantly from TOECs published previously.

Averaging of elastic constants for polycrystals

DOE PAGES

Blaschke, Daniel N.

2017-10-13

Many materials of interest are polycrystals, i.e., aggregates of single crystals. Randomly distributed orientations of single crystals lead to macroscopically isotropic properties. Here in this paper, we briefly review strategies of calculating effective isotropic second and third order elastic constants from the single crystal ones. Our main emphasis is on single crystals of cubic symmetry. Specifically, the averaging of third order elastic constants has not been particularly successful in the past, and discrepancies have often been attributed to texturing of polycrystals as well as to uncertainties in the measurement of elastic constants of both poly and single crystals. While thismore » may well be true, we also point out here shortcomings in the theoretical averaging framework.« less

Investigation of structural, electronic, elastic and optical properties of Cd{sub 1-x-y}Zn{sub x}Hg{sub y}Te alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tamer, M., E-mail: mehmet.tamer@zirve.edu.tr

2016-06-15

Structural, optical and electronic properties and elastic constants of Cd1{sub -x-y}Zn{sub x} Hg{sub y}Te 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.

Elastic and thermal properties of the layered thermoelectrics BiOCuSe and LaOCuSe

NASA Astrophysics Data System (ADS)

Saha, S. K.; Dutta, G.

2016-09-01

We determine the elastic properties of the layered thermoelectrics BiOCuSe and LaOCuSe using first-principles density functional theory calculations. To predict their stability, we calculate six distinct elastic constants, where all of them are positive, and suggest mechanically stable tetragonal crystals. As elastic properties relate to the nature and the strength of the chemical bond, the latter is analyzed by means of real-space descriptors, such as the electron localization function (ELF) and Bader charge. From elastic constants, a set of related properties, namely, bulk modulus, shear modulus, Young's modulus, sound velocity, Debye temperature, Grüneisen parameter, and thermal conductivity, are evaluated. Both materials are found to be ductile in nature and not brittle. We find BiOCuSe to have a smaller sound velocity and, hence, within the accuracy of the used Slack's model, a smaller thermal conductivity than LaOCuSe. Our calculations also reveal that the elastic properties and the related lattice thermal transport of both materials exhibit a much larger anisotropy than their electronic band properties that are known to be moderately anisotropic because of a moderate effective-electron-mass anisotropy. Finally, we determine the lattice dynamical properties, such as phonon dispersion, atomic displacement, and mode Grüneisen parameters, in order to correlate the elastic response, chemical bonding, and lattice dynamics.

Ab initio elastic tensor of cubic Ti0.5Al0.5N alloys: Dependence of elastic constants on size and shape of the supercell model and their convergence

NASA Astrophysics Data System (ADS)

Tasnádi, Ferenc; Odén, M.; Abrikosov, Igor A.

2012-04-01

In this study we discuss the performance of the special quasirandom structure (SQS) method in predicting the elastic properties of B1 (rocksalt) Ti0.5Al0.5N alloy. We use a symmetry-based projection technique, which gives the closest cubic approximate of the elastic tensor and allows us to align the SQSs of different shapes and sizes for a comparison in modeling elastic tensors. We show that the derived closest cubic approximate of the elastic tensor converges faster with respect to SQS size than the elastic tensor itself. That establishes a less demanding computational strategy to achieve convergence for the elastic constants. We determine the cubic elastic constants (Cij) and Zener's type elastic anisotropy (A) of Ti0.5Al0.5N. Optimal supercells, which capture accurately both the configurational disorder and cubic symmetry of elastic tensor, result in C11=447 GPa, C12=158 GPa, and C44=203 GPa with 3% of error and A=1.40 with 6% of error. In addition, we establish the general importance of selecting proper SQS with symmetry arguments to reliably model elasticity of alloys. We suggest the calculation of nine elastic tensor elements: C11, C22, C33, C12, C13, C23, C44, C55, and C66, to analyze the performance of SQSs and predict elastic constants of cubic alloys. The described methodology is general enough to be extended for alloys with other symmetry at arbitrary composition.

Temperature dependence of single-crystal elastic constants of flux-grown alpha-GaPO(4).

PubMed

Armand, P; Beaurain, M; Rufflé, B; Menaert, B; Papet, P

2009-06-01

The lattice parameter change with respect to temperature (T) has been measured using high-temperature powder X-ray diffraction techniques for high-temperature flux-grown GaPO(4) single crystals with the alpha-quartz structure. The lattice and the volume linear thermal expansion coefficients in the temperature range 303-1173 K were computed from the X-ray data. The percentage linear thermal expansions along the a and c axes at 1173 K are 1.5 and 0.51, respectively. The temperature dependence of the mass density rho of flux-grown GaPO(4) single crystals was evaluated using the volume thermal expansion coefficient alpha(V)(T) = 3.291 x 10(-5) - 2.786 x 10(-8) [T] + 4.598 x 10(-11)[T](2). Single-crystal high-resolution Brillouin spectroscopy measurements have been carried out at ambient pressure from 303 to 1123 K to determine the elastic constants C(IJ) of high-temperature flux-grown GaPO(4) material. The single-crystal elastic moduli were calculated using the sound velocities via the measured Brillouin frequency shifts Deltanu(B). These are, to our knowledge, the highest temperatures at which single-crystal elastic constants of alpha-GaPO(4) have been measured. Most of the room-temperature elastic constant values measured on flux-grown GaPO(4) material are higher than the ones found for hydrothermally grown GaPO(4) single crystals. The fourth-order temperature coefficients of both the Brillouin frequency shifts T(nuB)((n)) and the single-crystal elastic moduli T(C(IJ))((n)) were obtained. The first-order temperature coefficients of the C(IJ) are in excellent agreement with previous reports on low-temperature hydrothermally grown alpha-GaPO(4) single crystals, while small discrepancies in the higher-order temperature coefficients are observed. This is explained in terms of the OH content in the GaPO(4) network, which is an important parameter in the crystal thermal behavior.

Structure and elasticity of phlogopite under compression: Geophysical implications

NASA Astrophysics Data System (ADS)

Chheda, Tanvi D.; Mookherjee, Mainak; Mainprice, David; dos Santos, Antonio M.; Molaison, Jamie J.; Chantel, Julien; Manthilake, Geeth; Bassett, William A.

2014-08-01

We investigated the response of the crystal structure, lattice parameters, and unit-cell volume of hydrous layered silicate phlogopite at conditions relevant to subduction zone settings. We have used first principles simulation based on density functional theory to calculate the equation of state and full elastic constant tensor. Based on the generalized gradient approximation, the full single crystal elastic constant tensor with monoclinic symmetry shows significant anisotropy with the compressional elastic constants: c11 = 181 GPa, c22 = 185 GPa, c33 = 62 GPa, the shear elastic constants c44 = 14 GPa, c55 = 20 GPa, c66 = 68 Ga, and c46 = -6 GPa; the off diagonal elastic constants c12 = 48 GPa, c13 = 12 GPa, c23 = 12 GPa, c15 = -16 GPa, c25 = -5 GPa and c35 = -1 GPa at zero pressure. The elastic anisotropy of phlogopite is larger than most of the layered hydrous phases relevant in the subduction zone conditions. The shear anisotropy, AVS for phlogopite is ∼77% at zero pressure condition and although it decreases upon compression it remains relatively high compared to other hydrous phases relevant in the subduction zone settings. We also note that the shear elastic constants for phlogopite are relatively low. Phlogopite also has a high isotropic bulk VP/VS ratio ∼2.0. However, the VP/VS ratio also exhibits significant anisotropy with values as low as 1.49. Thus, phlogopite bearing metasomatized mantle could readily explain unusual VP/VS ratio as observed from seismological studies from the mantle wedge regions of the subduction zone.

Mechanical and Thermal Properties of Praseodymium Monopnictides: AN Ultrasonic Study

NASA Astrophysics Data System (ADS)

Bhalla, Vyoma; Kumar, Raj; Tripathy, Chinmayee; Singh, Devraj

2013-09-01

We have computed ultrasonic attenuation, acoustic coupling constants and ultrasonic velocities of praseodymium monopnictides PrX(X: N, P, As, Sb and Bi) along the <100>, <110>, <111> in the temperature range 100-500 K using higher order elastic constants. The higher order elastic constants are evaluated using Coulomb and Born-Mayer potential with two basic parameters viz. nearest-neighbor distance and hardness parameter in the temperature range of 0-500 K. Several other mechanical and thermal parameters like bulk modulus, shear modulus, Young's modulus, Poisson ratio, anisotropic ratio, tetragonal moduli, Breazeale's nonlinearity parameter and Debye temperature are also calculated. In the present study, the fracture/toughness (B/G) ratio is less than 1.75 which implies that PrX compounds are brittle in nature at room temperature. The chosen material fulfilled Born criterion of mechanical stability. We also found the deviation of Cauchy's relation at higher temperatures. PrN is most stable material as it has highest valued higher order elastic constants as well as the ultrasonic velocity. Further, the lattice thermal conductivity using modified approach of Slack and Berman is determined at room temperature. The ultrasonic attenuation due to phonon-phonon interaction and thermoelastic relaxation mechanisms have been computed using modified Mason's approach. The results with other well-known physical properties are useful for industrial applications.

Study of low-modulus biomedical β Ti-Nb-Zr alloys based on single-crystal elastic constants modeling.

PubMed

Wang, Xing; Zhang, Ligang; Guo, Ziyi; Jiang, Yun; Tao, Xiaoma; Liu, Libin

2016-09-01

CALPHAD-type modeling was used to describe the single-crystal elastic constants of the bcc solution phase in the ternary Ti-Nb-Zr system. The parameters in the model were evaluated based on the available experimental data and first-principle calculations. The composition-elastic properties of the full compositions were predicted and the results were in good agreement with the experimental data. It is found that the β phase can be divided into two regions which are separated by a critical dynamical stability composition line. The corresponding valence electron number per atom and the polycrystalline Young׳s modulus of the critical compositions are 4.04-4.17 and 30-40GPa respectively. Orientation dependencies of single-crystal Young׳s modulus show strong elastic anisotropy on the Ti-rich side. Alloys compositions with a Young׳s modulus along the <100> direction matching that of bone were found. The current results present an effective strategy for designing low modulus biomedical alloys using computational modeling. Copyright © 2016 Elsevier Ltd. All rights reserved.

Self-consistent elastic continuum theory of degenerate, equilibrium aperiodic solids.

PubMed

Bevzenko, Dmytro; Lubchenko, Vassiliy

2014-11-07

We show that the vibrational response of a glassy liquid at finite frequencies can be described by continuum mechanics despite the vast degeneracy of the vibrational ground state; standard continuum elasticity assumes a unique ground state. The effective elastic constants are determined by the bare elastic constants of individual free energy minima of the liquid, the magnitude of built-in stress, and temperature, analogously to how the dielectric response of a polar liquid is determined by the dipole moment of the constituent molecules and temperature. In contrast with the dielectric constant--which is enhanced by adding polar molecules to the system--the elastic constants are down-renormalized by the relaxation of the built-in stress. The renormalization flow of the elastic constants has three fixed points, two of which are trivial and correspond to the uniform liquid state and an infinitely compressible solid, respectively. There is also a nontrivial fixed point at the Poisson ratio equal to 1/5, which corresponds to an isospin-like degeneracy between shear and uniform deformation. The present description predicts a discontinuous jump in the (finite frequency) shear modulus at the crossover from collisional to activated transport, consistent with the random first order transition theory.

Walking at non-constant speeds: mechanical work, pendular transduction, and energy congruity.

PubMed

Balbinot, G

2017-05-01

Although almost half of all walking bouts in urban environments consist of less than 12 consecutive steps and several day-to-day gait activities contain transient gait responses, in most studies gait analysis is performed at steady-state. This study aimed to analyze external (W ext ) and internal mechanical work (W int ), pendulum-like mechanics, and elastic energy usage during constant and non-constant speeds. The mechanical work, pendular transduction, and energy congruity (an estimate of storage and release of elastic energy) during walking were computed using two force platforms. We found that during accelerating gait (+NCS) energy recovery is maintained, besides extra W + ext , for decelerating gait (-NCS) poor energy recovery was counterbalanced by W - ext and C% predominance. We report an increase in elastic energy usage with speed (4-11%). Both W - ext and %C suggests that elastic energy usage is higher at faster speeds and related to -NCS (≈20% of elastic energy usage). This study was the first to show evidences of elastic energy usage during constant and non-constant speeds. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Lattice model calculation of elastic and thermodynamic properties at high pressure and temperature. [for alkali halides in NaCl lattice

NASA Technical Reports Server (NTRS)

Demarest, H. H., Jr.

1972-01-01

The elastic constants and the entire frequency spectrum were calculated up to high pressure for the alkali halides in the NaCl lattice, based on an assumed functional form of the inter-atomic potential. The quasiharmonic approximation is used to calculate the vibrational contribution to the pressure and the elastic constants at arbitrary temperature. By explicitly accounting for the effect of thermal and zero point motion, the adjustable parameters in the potential are determined to a high degree of accuracy from the elastic constants and their pressure derivatives measured at zero pressure. The calculated Gruneisen parameter, the elastic constants and their pressure derivatives are in good agreement with experimental results up to about 600 K. The model predicts that for some alkali halides the Grunesen parameter may decrease monotonically with pressure, while for others it may increase with pressure, after an initial decrease.

Elasticity of crystalline molecular explosives

DOE PAGES

Hooks, Daniel E.; Ramos, Kyle J.; Bolme, C. A.; ...

2015-04-14

Crystalline molecular explosives are key components of engineered explosive formulations. In precision applications a high degree of consistency and predictability is desired under a range of conditions to a variety of stimuli. Prediction of behaviors from mechanical response and failure to detonation initiation and detonation performance of the material is linked to accurate knowledge of the material structure and first stage of deformation: elasticity. The elastic response of pentaerythritol tetranitrate (PETN), cyclotrimethylene trinitramine (RDX), and cyclotetramethylene tetranitramine (HMX), including aspects of material and measurement variability, and computational methods are described in detail. Experimental determinations of elastic tensors are compared, andmore » an evaluation of sources of error is presented. Furthermore, computed elastic constants are also compared for these materials and for triaminotrinitrobenzene (TATB), for which there are no measurements.« less

Structural stability, elastic and thermodynamic properties of Au-Cu alloys from first-principles calculations

NASA Astrophysics Data System (ADS)

Kong, Ge-Xing; Ma, Xiao-Juan; Liu, Qi-Jun; Li, Yong; Liu, Zheng-Tang

2018-03-01

Using first-principles calculations method based on density functional theory (DFT) with the Perdew-Burke-Ernzerhof (PBE) implementation of the generalized gradient approximation (GGA), we investigate the structural, elastic and thermodynamic properties of gold-copper intermetallic compounds (Au-Cu ICs). The calculated lattice parameters are in excellent agreement with experimental data. The elastic constants show that all the investigated Au-Cu alloys are mechanically stable. Elastic properties, including the shear modulus, Young's modulus, Poisson's ratio and Pugh's indicator, of the intermetallic compounds are evaluated and discussed, with special attention to the remarkable anisotropy displayed by Au-Cu ICs. Thermodynamic and transport properties including the Debye temperature, thermal conductivity and melting point are predicted from the averaged sound velocity and elastic moduli, using semi-empirical formulas.

An experimental study of the elastic theory for granular flows

NASA Astrophysics Data System (ADS)

Guo, Tongtong; Campbell, Charles S.

2016-08-01

This paper reports annular shear cell measurements granular flows with an eye towards experimentally confirming the flow regimes laid out in the elastic theory of granular flow. Tests were carried out on four different kinds of plastic spherical particles under both constant volume flows and constant applied stress flows. In particular, observations were made of the new regime in that model, the elastic-inertial regime, and the predicted transitions between the elastic-inertial and both the elastic-quasistatic and pure inertial regimes.

Elastic anisotropy effects on the electrical responses of a thin sample of nematic liquid crystal.

PubMed

Gomes, O A; Yednak, C A R; Ribeiro de Almeida, R R; Teixeira-Souza, R T; Evangelista, L R

2017-03-01

The electrical responses of a nematic liquid crystal cell are investigated by means of the elastic continuum theory. The nematic medium is considered as a parallel circuit of a resistance and a capacitance and the electric current profile across the sample is determined as a function of the elastic constants. In the reorientation process of the nematic director, the resistance and capacitance of the sample are determined by taking into account the elastic anisotropy. A nonmonotonic profile for the current is observed in which a minimum value of the current may be used to estimate the elastic constants values. This scenario suggests a theoretical method to determine the values of the bulk elastic constants in a single planar aligned cell just by changing the direction of applied electrical field and measuring the resulting electrical current.

Study on Topology Optimization Design, Manufacturability, and Performance Evaluation of Ti-6Al-4V Porous Structures Fabricated by Selective Laser Melting (SLM)

PubMed Central

Xu, Yangli; Zhang, Dongyun; Zhou, Yan; Wang, Weidong; Cao, Xuanyang

2017-01-01

The combination of topology optimization (TOP) and selective laser melting (SLM) provides the possibility of fabricating the complex, lightweight and high performance geometries overcoming the traditional manufacturing “bottleneck”. This paper evaluates the biomechanical properties of porous structures with porosity from 40% to 80% and unit cell size from 2 to 8 mm, which are designed by TOP and manufactured by SLM. During manufacturability exploration, three typical structures including spiral structure, arched bridge structure and structures with thin walls and small holes are abstracted and investigated, analyzing their manufacturing limits and forming reason. The property tests show that dynamic elastic modulus and compressive strength of porous structures decreases with increases of porosity (constant unit cell size) or unit cell size (constant porosity). Based on the Gibson-Ashby model, three failure models are proposed to describe their compressive behavior, and the structural parameter λ is used to evaluate the stability of the porous structure. Finally, a numerical model for the correlation between porous structural parameters (unit cell size and porosity) and elastic modulus is established, which provides a theoretical reference for matching the elastic modulus of human bones from different age, gender and skeletal sites during innovative medical implant design and manufacturing. PMID:28880229

Study on Topology Optimization Design, Manufacturability, and Performance Evaluation of Ti-6Al-4V Porous Structures Fabricated by Selective Laser Melting (SLM).

PubMed

Xu, Yangli; Zhang, Dongyun; Zhou, Yan; Wang, Weidong; Cao, Xuanyang

2017-09-07

The combination of topology optimization (TOP) and selective laser melting (SLM) provides the possibility of fabricating the complex, lightweight and high performance geometries overcoming the traditional manufacturing "bottleneck". This paper evaluates the biomechanical properties of porous structures with porosity from 40% to 80% and unit cell size from 2 to 8 mm, which are designed by TOP and manufactured by SLM. During manufacturability exploration, three typical structures including spiral structure, arched bridge structure and structures with thin walls and small holes are abstracted and investigated, analyzing their manufacturing limits and forming reason. The property tests show that dynamic elastic modulus and compressive strength of porous structures decreases with increases of porosity (constant unit cell size) or unit cell size (constant porosity). Based on the Gibson-Ashby model, three failure models are proposed to describe their compressive behavior, and the structural parameter λ is used to evaluate the stability of the porous structure. Finally, a numerical model for the correlation between porous structural parameters (unit cell size and porosity) and elastic modulus is established, which provides a theoretical reference for matching the elastic modulus of human bones from different age, gender and skeletal sites during innovative medical implant design and manufacturing.

AELAS: Automatic ELAStic property derivations via high-throughput first-principles computation

NASA Astrophysics Data System (ADS)

Zhang, S. H.; Zhang, R. F.

2017-11-01

The elastic properties are fundamental and important for crystalline materials as they relate to other mechanical properties, various thermodynamic qualities as well as some critical physical properties. However, a complete set of experimentally determined elastic properties is only available for a small subset of known materials, and an automatic scheme for the derivations of elastic properties that is adapted to high-throughput computation is much demanding. In this paper, we present the AELAS code, an automated program for calculating second-order elastic constants of both two-dimensional and three-dimensional single crystal materials with any symmetry, which is designed mainly for high-throughput first-principles computation. Other derivations of general elastic properties such as Young's, bulk and shear moduli as well as Poisson's ratio of polycrystal materials, Pugh ratio, Cauchy pressure, elastic anisotropy and elastic stability criterion, are also implemented in this code. The implementation of the code has been critically validated by a lot of evaluations and tests on a broad class of materials including two-dimensional and three-dimensional materials, providing its efficiency and capability for high-throughput screening of specific materials with targeted mechanical properties. Program Files doi:http://dx.doi.org/10.17632/f8fwg4j9tw.1 Licensing provisions: BSD 3-Clause Programming language: Fortran Nature of problem: To automate the calculations of second-order elastic constants and the derivations of other elastic properties for two-dimensional and three-dimensional materials with any symmetry via high-throughput first-principles computation. Solution method: The space-group number is firstly determined by the SPGLIB code [1] and the structure is then redefined to unit cell with IEEE-format [2]. Secondly, based on the determined space group number, a set of distortion modes is automatically specified and the distorted structure files are generated. Afterwards, the total energy for each distorted structure is calculated by the first-principles codes, e.g. VASP [3]. Finally, the second-order elastic constants are determined from the quadratic coefficients of the polynomial fitting of the energies vs strain relationships and other elastic properties are accordingly derived. References [1] http://atztogo.github.io/spglib/. [2] A. Meitzler, H.F. Tiersten, A.W. Warner, D. Berlincourt, G.A. Couqin, F.S. Welsh III, IEEE standard on piezoelectricity, Society, 1988. [3] G. Kresse, J. Furthmüller, Phys. Rev. B 54 (1996) 11169.

Ferroelectric, elastic, piezoelectric, and dielectric properties of Ba(Ti0.7Zr0.3)O3-x(Ba0.82Ca0.18)TiO3 Pb-free ceramics

NASA Astrophysics Data System (ADS)

Yuan, Ruihao; Xue, Deqing; Zhou, Yumei; Ding, Xiangdong; Sun, Jun; Xue, Dezhen

2017-07-01

We designed and synthesized a pseudo-binary Pb-free system, Ba(Ti0.7Zr0.3)O3-x(Ba0.82Ca0.18)TiO3, by combining a rhombohedral end (with only cubic to rhombohedral ferroelectric phase transition) and a tetragonal end (with only cubic to tetragonal ferroelectric phase transition). The established composition-temperature phase diagram is characterized by a tricritical point type morphotropic phase boundary (MPB), and the MPB composition has better ferroelectric, piezoelectric, and dielectric properties than the compositions deviating from MPB. Moreover, a full set of material constants (including elastic stiffness constants, elastic compliance constants, piezoelectric constants, dielectric constants, and electromechanical coupling factors) of the MPB composition are determined using a resonance method. The good piezoelectric performance of the MPB composition can be ascribed to the high dielectric constants, elastic softening, and large electromechanical coupling factor.

Effect of ripples on the finite temperature elastic properties of hexagonal boron nitride using strain-fluctuation method

NASA Astrophysics Data System (ADS)

Thomas, Siby; Ajith, K. M.; Valsakumar, M. C.

2017-11-01

This work intents to put forth the results of a classical molecular dynamics study to investigate the temperature dependent elastic constants of monolayer hexagonal boron nitride (h-BN) between 100 and 1000 K for the first time using strain fluctuation method. The temperature dependence of out-of-plane fluctuations (ripples) is quantified and is explained using continuum theory of membranes. At low temperatures, negative in-plane thermal expansion is observed and at high temperatures, a transition to positive thermal expansion has been observed due to the presence of thermally excited ripples. The decrease of Young's modulus, bulk modulus, shear modulus and Poisson's ratio with increase in temperature has been analyzed. The thermal rippling in h-BN leads to strong anharmonic behaviour that causes large deviation from the isotropic elasticity. A detailed study shows that the strong thermal rippling in large systems is also responsible for the softening of elastic constants in h-BN. From the determined values of elastic constants and elastic moduli, it has been elucidated that 2D h-BN sheets meet the Born's mechanical stability criterion in the investigated temperature range. The variation of longitudinal and shear velocities with temperature is also calculated from the computed values of elastic constants and elastic moduli.

Experimental investigation on the dissipative and elastic characteristics of a yaw colloidal damper destined to carbody suspension of a bullet train

NASA Astrophysics Data System (ADS)

Suciu, B.; Tomioka, T.

2016-09-01

Yaw damper represents a major source of excitation for flexural vibration of the railway carbody. In order to reduce transmissibility of such undesired excitation, yaw damper should allow for large force transmission at low working frequencies, but should behave as vibration isolator at high working frequencies. Unfortunately, the yaw oil damper (OD), which is nowadays in service, has poor intrinsic elastic capabilities and provides damping forces varying as a power function versus the piston speed. Since colloidal damper (CD) has intrinsic elastic capabilities and larger damping forces at lower excitation frequencies, it occurs as an attractive alternative solution to traditional yaw dampers. In this work, a yaw CD destined to carbody suspension of a bullet train was designed and manufactured; then, its dynamic characteristics, produced by both the frictional and colloidal effects, were evaluated from the experimental results, obtained during horizontal vibration tests, performed on a ball-screw shaker. Compared to the corresponding classical yaw OD, the trial yaw CD allowed for: weight reduction of 31.6%; large damping force, dissipated energy and spring constant at long piston stroke under low excitation frequency; low damping force, dissipated energy and spring constant at short piston stroke under high excitation frequency. Elastic properties were justified by introducing a model for the spring constant that included the effect of pore size distribution.

Thermophysical properties of paramagnetic Fe from first principles

NASA Astrophysics Data System (ADS)

Ehteshami, Hossein; Korzhavyi, Pavel A.

2017-12-01

A computationally efficient, yet general, free-energy modeling scheme is developed based on first-principles calculations. Finite-temperature disorder associated with the fast (electronic and magnetic) degrees of freedom is directly included in the electronic structure calculations, whereas the vibrational free energy is evaluated by a proposed model that uses elastic constants to calculate average sound velocity of the quasiharmonic Debye model. The proposed scheme is tested by calculating the lattice parameter, heat capacity, and single-crystal elastic constants of α -, γ -, and δ -iron as functions of temperature in the range 1000-1800 K. The calculations accurately reproduce the well-established experimental data on thermal expansion and heat capacity of γ - and δ -iron. Electronic and magnetic excitations are shown to account for about 20% of the heat capacity for the two phases. Nonphonon contributions to thermal expansion are 12% and 10% for α - and δ -Fe and about 30% for γ -Fe. The elastic properties predicted by the model are in good agreement with those obtained in previous theoretical treatments of paramagnetic phases of iron, as well as with the bulk moduli derived from isothermal compressibility measurements [N. Tsujino et al., Earth Planet. Sci. Lett. 375, 244 (2013), 10.1016/j.epsl.2013.05.040]. Less agreement is found between theoretically calculated and experimentally derived single-crystal elastic constants of γ - and δ -iron.

Quantitative evaluation of the piezoelectric response of unpoled ferroelectric ceramics from elastic and dielectric measurements: Tetragonal BaTiO3

NASA Astrophysics Data System (ADS)

Cordero, F.

2018-03-01

A method is proposed for evaluating the potential piezoelectric response, that a ferroelectric material would exhibit after full poling, from elastic and dielectric measurements of the unpoled ceramic material. The method is based on the observation that the softening in a ferroelectric phase with respect to the paraelectric phase is of piezoelectric origin, and is tested on BaTiO3. The angular averages of the piezoelectric softening in unpoled ceramics are calculated for ferroelectric phases of different symmetries. The expression of the orientational average with the piezoelectric and dielectric constants of single crystal tetragonal BaTiO3 from the literature reproduces well the softening of the Young's modulus of unpoled ceramic BaTiO3, after a correction for the porosity. The agreement is good in the temperature region sufficiently far from the Curie temperature and from the transition to the orthorhombic phase, where the effect of fluctuations should be negligible, but deviations are found outside this region, and possible reasons for this are discussed. This validates the determination of the piezoelectric response by means of purely elastic measurements on unpoled samples. The method is indirect and, for quantitative assessments, requires the knowledge of the dielectric tensor. On the other hand, it does not require poling of the sample, and therefore is insensitive to inaccuracies from incomplete poling, and can even be used with materials that cannot be poled, for example, due to excessive electrical conductivity. While the proposed example of the Young's modulus of a ceramic provides an orientational average of all the single crystal piezoelectric constants, a Resonant Ultrasound Spectroscopy measurement of a single unpoled ceramic sample through the ferroelectric transition can in principle measure all the piezoelectric constants, together with the elastic ones.

Elastic constants of calcite

USGS Publications Warehouse

Peselnick, L.; Robie, R.A.

1962-01-01

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

Ultrasonic determination of the elastic constants of the stiffness matrix for unidirectional fiberglass epoxy composites

NASA Technical Reports Server (NTRS)

Marques, E. R. C.; Williams, J. H., Jr.

1986-01-01

The elastic constants of a fiberglass epoxy unidirectional composite are determined by measuring the phase velocities of longitudinal and shear stress waves via the through transmission ultrasonic technique. The waves introduced into the composite specimens were generated by piezoceramic transducers. Geometric lengths and the times required to travel those lengths were used to calculate the phase velocities. The model of the transversely isotropic medium was adopted to relate the velocities and elastic constants.

Prediction study of structural, elastic and electronic properties of FeMP (M = Ti, Zr, Hf) compounds

NASA Astrophysics Data System (ADS)

Tanto, A.; Chihi, T.; Ghebouli, M. A.; Reffas, M.; Fatmi, M.; Ghebouli, B.

2018-06-01

First principles calculations are applied in the study of FeMP (M = Ti, Zr, Hf) compounds. We investigate the structural, elastic, mechanical and electronic properties by combining first-principles calculations with the CASTEP approach. For ideal polycrystalline FeMP (M = Ti, Zr, Hf) the shear modulus, Young's modulus, Poisson's ratio, elastic anisotropy indexes, Pugh's criterion, elastic wave velocities and Debye temperature are also calculated from the single crystal elastic constants. The shear anisotropic factors and anisotropy are obtained from the single crystal elastic constants. The Debye temperature is calculated from the average elastic wave velocity obtained from shear and bulk modulus as well as the integration of elastic wave velocities in different directions of the single crystal.

Constitutive relations in multidimensional isotropic elasticity and their restrictions to subspaces of lower dimensions

NASA Astrophysics Data System (ADS)

Georgievskii, D. V.

2017-07-01

The mechanical meaning and the relationships among material constants in an n-dimensional isotropic elastic medium are discussed. The restrictions of the constitutive relations (Hooke's law) to subspaces of lower dimension caused by the conditions that an m-dimensional strain state or an m-dimensional stress state (1 ≤ m < n) is realized in the medium. Both the terminology and the general idea of the mathematical construction are chosen by analogy with the case n = 3 and m = 2, which is well known in the classical plane problem of elasticity theory. The quintuples of elastic constants of the same medium that enter both the n-dimensional relations and the relations written out for any m-dimensional restriction are expressed in terms of one another. These expressions in terms of the known constants, for example, of a three-dimensional medium, i.e., the classical elastic constants, enable us to judge the material properties of this medium immersed in a space of larger dimension.

The effect of carbon concentration and plastic deformation on ultrasonic higher order elastic properties of steel

NASA Technical Reports Server (NTRS)

Heyman, J. S.; Allison, S. G.; Salama, K.

1985-01-01

The behavior of higher order elastic properties, which are much more sensitive to material state than are second order properties, has been studied for steel alloys AISI 1016, 1045, 1095, and 8620 by measuring the stress derivative of the acoustic natural velocity to determine the stress acoustic constants (SAC's). Results of these tests show a 20 percent linear variation of SAC's with carbon content as well as even larger variations with prestrain (plastic deformation). The use of higher order elastic characterization permits quantitative evaluation of solids and may prove useful in studies of fatigue and fracture.

Ultrasonic Characterization of Superhard Material: Osmium Diboride

NASA Astrophysics Data System (ADS)

Yadawa, P. K.

2012-12-01

Higher order elastic constants have been calculated in hexagonal structured superhard material OsB2 at room temperature following the interaction potential model. The temperature variation of the ultrasonic velocities is evaluated along different angles with unique axis of the crystal using the second order elastic constants. The ultrasonic velocity decreases with the temperature along particular orientation with the unique axis. Temperature variation of the thermal relaxation time and Debye average velocities are also calculated along the same orientation. The temperature dependency of the ultrasonic properties is discussed in correlation with elastic, thermal and electrical properties. It has been found that the thermal conductivity is the main contributor to the behaviour of ultrasonic attenuation as a function of temperature and the responsible cause of attenuation is phonon-phonon interaction. The mechanical properties of OsB2 at low temperature are better than at high temperature, because at low temperature it has low ultrasonic velocity and ultrasonic attenuation. Superhard material OsB2 has many industrial applications, such as abrasives, cutting tools and hard coatings.

First-principles calculations for elastic properties of OsB 2 under pressure

NASA Astrophysics Data System (ADS)

Yang, Jun-Wei; Chen, Xiang-Rong; Luo, Fen; Ji, Guang-Fu

2009-11-01

The structure, elastic properties and elastic anisotropy of orthorhombic OsB 2 are investigated by density functional theory method with the ultrasoft pseudopotential scheme in the frame of the generalized gradient approximation (GGA) as well as local density approximation (LDA). The obtained structural parameters, elastic constants, elastic anisotropy and Debye temperature for OsB 2 under pressure are consistent with the available experimental data and other theoretical results. It is found that the elastic constants, bulk modulus and Debye temperature of OsB 2 tend to increase with increasing pressure. It is predicted that OsB 2 is not a superhard material from our calculations.

Pulse echo and combined resonance techniques: a full set of LGT acoustic wave constants and temperature coefficients.

PubMed

Sturtevant, Blake T; Davulis, Peter M; da Cunha, Mauricio Pereira

2009-04-01

This work reports on the determination of langatate elastic and piezoelectric constants and their associated temperature coefficients employing 2 independent methods, the pulse echo overlap (PEO) and a combined resonance technique (CRT) to measure bulk acoustic wave (BAW) phase velocities. Details on the measurement techniques are provided and discussed, including the analysis of the couplant material in the PEO technique used to couple signal to the sample, which showed to be an order of magnitude more relevant than the experimental errors involved in the data extraction. At room temperature, elastic and piezoelectric constants were extracted by the PEO and the CRT methods and showed results consistent to within a few percent for the elastic constants. Both raw acquired data and optimized constants, based on minimization routines applied to all the modes involved in the measurements, are provided and discussed. Comparison between the elastic constants and their temperature behavior with the literature reveals the recent efforts toward the consistent growth and characterization of LGT, in spite of significant variations (between 1 and 30%) among the constants extracted by different groups at room temperature. The density, dielectric permittivity constants, and respective temperature coefficients used in this work have also been independently determined based on samples from the same crystal boule. The temperature behavior of the BAW modes was extracted using the CRT technique, which has the advantage of not relying on temperature dependent acoustic couplants. Finally, the extracted temperature coefficients for the elastic and piezoelectric constants between room temperature and 120 degrees C are reported and discussed in this work.

Measurement of elastic constants of monoclinic nickel-titanium and validation of first principles calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stebner, A. P.; Brown, D. W.; Brinson, L. C.

2013-05-27

Polycrystalline, monoclinic nickel-titanium specimens were subjected to tensile and compressive deformations while neutron diffraction spectra were recorded in situ. Using these data, orientation-specific and macroscopic Young's moduli are determined from analysis of linear-elastic deformation exhibited by 13 unique orientations of monoclinic lattices and their relationships to each macroscopic stress and strain. Five of 13 elastic compliance constants are also identified: s{sub 11} = 1.15, s{sub 15} = -1.10, s{sub 22} = 1.34, s{sub 33} = 1.06, s{sub 35} = -1.54, all Multiplication-Sign 10{sup -2} GPa{sup -1}. Through these results, recent atomistic calculations of monoclinic nickel-titanium elastic constants are validated.

The effect of long-range order on the elastic properties of Cu3Au

NASA Astrophysics Data System (ADS)

Wang, Gui-Sheng; Krisztina Delczeg-Czirjak, Erna; Hu, Qing-Miao; Kokko, Kalevi; Johansson, Börje; Vitos, Levente

2013-02-01

Ab initio calculations, based on the exact muffin-tin orbitals method are used to determine the elastic properties of Cu-Au alloys with Au/Cu ratio 1/3. The compositional disorder is treated within the coherent potential approximation. The lattice parameters and single-crystal elastic constants are calculated for different partially ordered structures ranging from the fully ordered L12 to the random face centered cubic lattice. It is shown that the theoretical elastic constants follow a clear trend with the degree of chemical order: namely, C11 and C12 decrease, whereas C44 remains nearly constant with increasing disorder. The present results are in line with the experimental findings that the impact of the chemical ordering on the fundamental elastic parameters is close to the resolution of the available experimental and theoretical tools.

Some Debye temperatures from single-crystal elastic constant data

USGS Publications Warehouse

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

1966-01-01

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

First-principles study of crystal structure, elastic stiffness constants, piezoelectric constants, and spontaneous polarization of orthorhombic Pna21-M2O3 (M = Al, Ga, In, Sc, Y)

NASA Astrophysics Data System (ADS)

Shimada, Kazuhiro

2018-03-01

We perform first-principles calculations to investigate the crystal structure, elastic and piezoelectric properties, and spontaneous polarization of orthorhombic M2O3 (M = Al, Ga, In, Sc, Y) with Pna21 space group based on density functional theory. The lattice parameters, full elastic stiffness constants, piezoelectric stress and strain constants, and spontaneous polarization are successfully predicted. Comparison with available experimental and computational results indicates the validity of our computational results. Detailed analysis of the results clarifies the difference in the bonding character and the origin of the strong piezoelectric response and large spontaneous polarization.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shyam, Amit; Lara-Curzio, Edgar

This paper reports on the langatate (LGT) elastic constants and their temperature coefficients measured from room temperature (25degC) to 1100degC using resonant ultrasound spectroscopy (RUS). The constants were extracted by iteratively fitting the resonant peaks with those calculated by Lagrangian mechanics at each temperature where the RUS measurements were taken. In addition, the RUS technique was used to extract the elastic and piezoelectric constants in the 25degC to 120degC temperature range. The extraction of LGT elastic constants up to 1100degC presented in this paper represents a critical step towards the design and fabrication of LGT acoustic wave devices for highmore » temperature and harsh environment applications.« less

Effects of cation ordering on the elastic and electronic properties of Mg-Fe silicate phases at high pressures

NASA Astrophysics Data System (ADS)

Das, Pratik Kr.; Mandal, Nibir; Arya, A.

2017-12-01

Olivine [(Mg, Fe)2SiO4] and pyroxene [(Mg, Fe)Si2O6] are naturally occurring silicate phases. Both the phases crystallize with orthorhombic symmetry, displaying ordering of Mg2+ and Fe2+ in their non-equivalent octahedral lattice sites (M1, M2). We address two major issues: (1) how far an inversion of the cation ordering: type I (Mg2+ in M1; Fe2+ in M2) to type II (Mg2+ in M2; Fe2+in M1) can modify their elastic properties and (2) what are the effects of this inversion on their electronic properties? Using density functional theory, we calculate the elastic constant tensors (Cij) as a function of hydrostatic pressure for types I and II ordering. Our calculations suggest that the inversion (types I to II) in olivine significantly reduces the shear elastic constant C55 (˜25%). This has little effect on the Cij of pyroxene in ambient condition, but the effects become strong at elevated pressures (100 GPa), resulting in large variations (>40%) of all the shear elastic constants: C44, C55, and C66. We predict contrasting variations in compressional (VP) and shear (VS) wave velocities by 1% and 9% and by 2% and 11% for olivine and pyroxene, respectively, on types I to II switchover. Our Debye temperature (θD) calculations show that θD of olivine is less sensitive to ordering inversion, whereas that of pyroxene varies substantially (˜22%) under ambient condition. We evaluate the electronic DOS of pyroxene, and obtain a large difference in the magnetic moment between types I and II.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shyam, Amit; Lara-Curzio, Edgar

This paper reports on the langatate (LGT) elastic constants measured from room temperature (25 C) to 1100 C using resonant ultrasound spectroscopy (RUS). The constants were extracted by fitting the resonant peaks with those calculated by Lagrangian mechanics at each temperature where the RUS measurements were taken. In addition, the RUS technique was used to extract the piezoelectric constants in the 25 C to 120 C temperature range. This work also publishes a set of temperature coefficients for the elastic constants up to 1100 C. For the measurements, six parallelepiped LGT samples were aligned, cut, ground, and polished at themore » University of Maine. The samples were aligned to two different crystal orientations, to increase the reliability of the constant fitting. The extraction of LGT elastic constants up to 1100 C presented in this paper represents a critical step towards the design and fabrication of LGT acoustic wave devices for high temperature and harsh environment applications.« less

Elasticity of Pargasite Amphibole: A Hydrous Phase at Mid Lithospheric Discontinuity

NASA Astrophysics Data System (ADS)

Peng, Y.; Mookherjee, M.

2017-12-01

Mid Lithospheric Discontinuity (MLD) is characterized by a low shear wave velocity ( 3 to 10 %). In cratons, the depth of MLD varies between 80 and 100 km. The reduction of the shear wave velocity at MLD is similar to what is observed in the lithosphere-asthenosphere boundary (LAB). Such low velocity at MLD could be caused by partial melting, temperature induced grain boundary sliding, changes in the elastic anisotropy, and/or metasomatism which may lead to the formation of hydrous phases including mica and amphibole. Thus, it is clear that in order to assess the role of metasomatism at MLD, we need better constraints on the elasticity of hydrous phases. However, such elasticity data are scarce. In this study, we explore elasticity of pargasite amphibole [NaCa2(Mg4Al)(Si6Al2)O22(OH)2] using density functional theory (DFT) with local density approximation (LDA) and generalized gradient approximation (GGA). We find that the pressure-volume results can be adequately described by a finite strain equation with the bulk modulus, K0 being 102 and 85 GPa for LDA and GGA respectively. We also determined the full elastic constant tensor (Cij) using the finite difference method. The bulk modulus, K0 determined from the full elastic constant tensor is 104 GPa for LDA and 87 GPa for GGA. The shear modulus, G0 determined from the full elastic constant tensor is 64 GPa for LDA and 58 GPa for GGA. The bulk and shear moduli predicted with LDA are 5 and 1 % stiffer than the recent results [1]. In contrast, the bulk and shear moduli predicted with GGA are 12 and 10 % softer compared to the recent results [1]. The full elastic constant tensor for pargasite shows significant anisotropy. For instance, LDA predicts compressional (AVP) and shear (AVS) wave anisotropy of 22 and 20 % respectively. At higher pressure, elastic moduli stiffen. However, temperature is likely to have an opposite effect on the elasticity and this remains largely unknown for pargasite. Compared to the major mantle minerals, pargasite has softer elastic constants and significant anisotropy and may explain the reduction in shear wave velocity at MLD. Reference: [1] Brown, J. M., Abramson, E. H.,2016, Phys. Earth Planet. Int., 261, 161-171. Acknowledgement: This work is supported by US NSF award EAR 1639552.

Ultrasonic Determination of the Elastic Constants of Epoxy-natural Fiber Composites

NASA Astrophysics Data System (ADS)

Valencia, C. A. Meza; Pazos-Ospina, J. F.; Franco, E. E.; Ealo, Joao L.; Collazos-Burbano, D. A.; Garcia, G. F. Casanova

This paper shows the applications ultrasonic through-transmission technique to determine the elastic constants of two polymer-natural fiber composite materials with potential industrial application and economic and environmental advantages. The transversely isotropic coconut-epoxy and fique-epoxy samples were analyzed using an experimental setup which allows the sample to be rotated with respect to transducers faces and measures the time-of-flight at different angles of incidence. Then, the elastic properties of the material were obtained by fitting the experimental data to the Christoffel equation. Results show a good agreement between the measured elastic constants and the values predicted by an analytical model. The velocities as a function of the incidence angle are reported and the effect of the natural fiber on the stiffness of the composite is discussed.

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

NASA Astrophysics Data System (ADS)

Bali, Ashoka; Chetty, Raju; Mallik, Ramesh Chandra

2014-04-01

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 PbSxTe(1-x) and PbSexTe(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.

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

NASA Astrophysics Data System (ADS)

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

2016-12-01

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

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

NASA Astrophysics Data System (ADS)

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

2016-02-01

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

Thermal sensitivity of elastic coefficients of langasite and langatate.

PubMed

Bourquin, Roger; Dulmet, Bernard

2009-10-01

Thermal coefficients of elastic constants of langasite and langatate crystals have been determined from frequency-temperature curves of contoured resonators operating in thickness modes. The effect of the trapping of the vibration has been taken into account to improve the accuracy. In a first step, the thermal sensitivities of stiffness coefficients in Lagrangian description are obtained. Thermal sensitivities of the usual elastic constants are further deduced. Predictions of thermally compensated cuts are given.

Local Elastic Constants for Epoxy-Nanotube Composites from Molecular Dynamics Simulation

NASA Technical Reports Server (NTRS)

Frankland, S. J. V.; Gates, T. S.

2007-01-01

A method from molecular dynamics simulation is developed for determining local elastic constants of an epoxy/nanotube composite. The local values of C11, C33, K12, and K13 elastic constants are calculated for an epoxy/nanotube composite as a function of radial distance from the nanotube. While the results possess a significant amount of statistical uncertainty resulting from both the numerical analysis and the molecular fluctuations during the simulation, the following observations can be made. If the size of the region around the nanotube is increased from shells of 1 to 6 in thickness, then the scatter in the data reduces enough to observe trends. All the elastic constants determined are at a minimum 20 from the center of the nanotube. The C11, C33, and K12 follow similar trends as a function of radial distance from the nanotube. The K13 decreases greater distances from the nanotube and becomes negative which may be a symptom of the statistical averaging.

Elastic constants from microscopic strain fluctuations

PubMed

Sengupta; Nielaba; Rao; Binder

2000-02-01

Fluctuations of the instantaneous local Lagrangian strain epsilon(ij)(r,t), measured with respect to a static "reference" lattice, are used to obtain accurate estimates of the elastic constants of model solids from atomistic computer simulations. The measured strains are systematically coarse-grained by averaging them within subsystems (of size L(b)) of a system (of total size L) in the canonical ensemble. Using a simple finite size scaling theory we predict the behavior of the fluctuations as a function of L(b)/L and extract elastic constants of the system in the thermodynamic limit at nonzero temperature. Our method is simple to implement, efficient, and general enough to be able to handle a wide class of model systems, including those with singular potentials without any essential modification. We illustrate the technique by computing isothermal elastic constants of "hard" and "soft" disk triangular solids in two dimensions from Monte Carlo and molecular dynamics simulations. We compare our results with those from earlier simulations and theory.

Theoretical study of phonon dispersion, elastic, mechanical and thermodynamic properties of barium chalcogenides

NASA Astrophysics Data System (ADS)

Musari, A. A.; Orukombo, S. A.

2018-03-01

Barium chalcogenides are known for their high-technological importance and great scientific interest. Detailed studies of their elastic, mechanical, dynamical and thermodynamic properties were carried out using density functional theory and plane-wave pseudo potential method within the generalized gradient approximation. The optimized lattice constants were in good agreement when compared with experimental data. The independent elastic constants, calculated from a linear fit of the computed stress-strain function, were used to determine the Young’s modulus (E), bulk modulus (B), shear modulus (G), Poisson’s ratio (σ) and Zener’s anisotropy factor (A). Also, the Debye temperature and sound velocities for barium chalcogenides were estimated from the three independent elastic constants. The calculations of phonon dispersion showed that there are no negative frequencies throughout the Brillouin zone. Hence barium chalcogenides have dynamically stable NaCl-type crystal structure. Finally, their thermodynamic properties were calculated in the temperature range of 0-1000 K and their constant-volume specific heat capacities at room-temperature were reported.

Evaluation of copper, aluminum, and nickel interatomic potentials on predicting the elastic properties

NASA Astrophysics Data System (ADS)

Rassoulinejad-Mousavi, Seyed Moein; Mao, Yijin; Zhang, Yuwen

2016-06-01

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 the mechanical behavior of materials at micro/nanoscale have 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, as well as the Sandia National Laboratories, the LAMMPS database. Using molecular dynamic simulations, the three independent elastic constants, C11, C12, and C44, were found for Cu, Al, and Ni cubic single crystals. Voigt-Reuss-Hill approximation was then implemented to convert elastic constants of the single crystals into isotropic polycrystalline elastic moduli including bulk modulus, shear modulus, and Young's modulus as well as Poisson's ratio. Simulation results from massive molecular dynamic were compared with available experimental data in the literature to justify the robustness of each potential for each species. Eventually, accurate interatomic potentials have been recommended for finding each of the elastic properties of the pure species. Exactitude of the elastic properties was found to be sensitive to the choice of the force fields. Those potentials that were fitted for a specific compound may not necessarily work accurately for all the existing pure species. Tabulated results in this paper might be used as a benchmark to increase assurance of using the interatomic potential that was designated for a problem.

Theoretical calculations of structural, electronic, and elastic properties of CdSe1-x Te x : A first principles study

NASA Astrophysics Data System (ADS)

M, Shakil; Muhammad, Zafar; Shabbir, Ahmed; Muhammad Raza-ur-rehman, Hashmi; M, A. Choudhary; T, Iqbal

2016-07-01

The plane wave pseudo-potential method was used to investigate the structural, electronic, and elastic properties of CdSe1-x Te x in the zinc blende phase. It is observed that the electronic properties are improved considerably by using LDA+U as compared to the LDA approach. The calculated lattice constants and bulk moduli are also comparable to the experimental results. The cohesive energies for pure CdSe and CdTe binary and their mixed alloys are calculated. The second-order elastic constants are also calculated by the Lagrangian theory of elasticity. The elastic properties show that the studied material has a ductile nature.

A Theoretical Analysis of the Effect of the Hydrogenation of Graphene to Graphane on Its Mechanical Properties

NASA Astrophysics Data System (ADS)

Peng, Q.; Liang, Chao; Ji, Wei; de, Suvranu

2013-03-01

We investigated the mechanical properties of graphene and graphane using first-principles calculations based on density-functional theory. A conventional unitcell containing a hexagonal ring made of carbon atoms was chosen to capture the finite wave vector ``soft modes'', which affect the the fourth and fifth elastic constants considerably. Graphane has about 2/3 ultimate strengths in all three tested deformation modes - armchair, zigzag, and biaxial- compared to graphene. However, graphane has larger ultimate strains in zigzag deformation, and smaller in armchair deformation. We obtained the second, third, fourth, and fifth order elastic constants for a rigorous continuum description of the elastic response. Graphane has a relatively low in-plane stiffness of 240 N/m which is about 2/3 of that of graphene, and a very small Poisson ratio of 0.078, 44% of that of graphene. The pressure dependence of the second order elastic constants were predicted from the third order elastic constants. The Poisson's ratio monotonically decreases with increasing pressure. Acknowledge the financial support from DTRA Grant # BRBAA08-C-2-0130, the U.S. NRCFDP # NRC-38-08-950, and U.S. DOE NEUP Grant #DE-NE0000325.

Observation of Failure and Domain Switching in Lead Zirconate Titanate Ceramics

NASA Astrophysics Data System (ADS)

Okayasu, Mitsuhiro; Sugiyama, Eriko; Sato, Kazuto; Mizuno, Mamoru

The mechanical and electrical properties (electromechanical coupling coefficient, piezoelectric constant and dielectric constant) of lead zirconate titanate (PZT) ceramics are investigated during mechanical static and cyclic loading. There are several failure characteristics which can alter the material properties of PZT ceramics. The elastic constant increases and electrical properties decrease with increasing the applied load. This is due to the internal strain arising from the domain switching. In this case, 90° domain switching occurs anywhere in the samples as the sample is loaded. It is also apparent that electrogenesis occurs several times during cyclic loading to the final fracture. This occurrence is related to the domain switching. The elastic constant and electrical properties can decrease because of crack generation in the PZT ceramics. Moreover, the elastic constant increases with increase of the mechanical load and decreases with decrease of the load. On the contrary, the opposite sense of change of the electrical properties is observed.

Macroscopic elastic properties of textured ZrN-AlN polycrystalline aggregates: From ab initio calculations to grain-scale interactions

NASA Astrophysics Data System (ADS)

Holec, D.; Tasnádi, F.; Wagner, P.; Friák, M.; Neugebauer, J.; Mayrhofer, P. H.; Keckes, J.

2014-11-01

Despite the fast development of computational material modeling, the theoretical description of macroscopic elastic properties of textured polycrystalline aggregates starting from basic principles remains a challenging task. In this study we use a supercell-based approach to obtain the elastic properties of a random solid solution cubic Zr1 -xAlxN system as a function of the metallic sublattice composition and texture descriptors. The employed special quasirandom structures are optimized not only with respect to short-range-order parameters, but also to make the three cubic directions [1 0 0 ] , [0 1 0 ] , and [0 0 1 ] as similar as possible. In this way, only a small spread of elastic constant tensor components is achieved and an optimum trade-off between modeling of chemical disorder and computational limits regarding the supercell size and calculational time is proposed. The single-crystal elastic constants are shown to vary smoothly with composition, yielding x ≈0.5 an alloy constitution with an almost isotropic response. Consequently, polycrystals with this composition are suggested to have Young's modulus independent of the actual microstructure. This is indeed confirmed by explicit calculations of polycrystal elastic properties, both within the isotropic aggregate limit and with fiber textures with various orientations and sharpness. It turns out that for low AlN mole fractions, the spread of the possible Young's modulus data caused by the texture variation can be larger than 100 GPa. Consequently, our discussion of Young's modulus data of cubic Zr1 -xAlxN contains also the evaluation of the texture typical for thin films.

Determination of elastic constants of a generally orthotropic plate by modal analysis

NASA Astrophysics Data System (ADS)

Lai, T. C.; Lau, T. C.

1993-01-01

This paper describes a method of finding the elastic constants of a generally orthotropic composite thin plate through modal analysis based on a Rayleigh-Ritz formulation. The natural frequencies and mode shapes for a plate with free-free boundary conditions are obtained with chirp excitation. Based on the eigenvalue equation and the constitutive equations of the plate, an iteration scheme is derived using the experimentally determined natural frequencies to arrive at a set of converged values for the elastic constants. Four sets of experimental data are required for the four independent constants: namely the two Young's moduli E1 and E2, the in-plane shear modulus G12, and one Poisson's ratio nu12. The other Poisson's ratio nu21 can then be determined from the relationship among the constants. Comparison with static test results indicate good agreement. Choosing the right combinations of natural modes together with a set of reasonable initial estimates for the constants to start the iteration has been found to be crucial in achieving convergence.

Determining the elastic properties of aptamer-ricin single molecule multiple pathway interactions

NASA Astrophysics Data System (ADS)

Wang, Bin; Park, Bosoon; Kwon, Yongkuk; Xu, Bingqian

2014-05-01

We report on the elastic properties of ricin and anti-ricin aptamer interactions, which showed three stable binding conformations, each of which has its special elastic properties. These different unbinding pathways were investigated by the dynamic force spectroscopy. A series-spring model combining the worm-like-chain model and Hook's law was used to estimate the apparent spring constants of the aptamer and linker molecule polyethylene glycol. The aptamer in its three different unbinding pathways showed different apparent spring constants. The two reaction barriers in the unbinding pathways also influence the apparent spring constant of the aptamer. This special elastic behavior of aptamer was used to distinguish its three unbinding pathways under different loading rates. This method also offered a way to distinguish and discard the non-specific interactions in single molecule experiments.

The elastic properties of woven polymeric fabric

DOE Office of Scientific and Technical Information (OSTI.GOV)

Warren, W.E.

1989-01-01

The in-plane linear elastic constants of woven fabric are determined in terms of the specific fabric microstructure. The fabric is assumed to be a spatially periodic interlaced network of orthogonal yarns and the individual yarns are modeled as extensible elastica. These results indicate that a significant coupling of bending and stretching effects occurs during deformation. Results of this theoretical analysis compare favorable with measured in-plane elastic constants for Vincel yarn fabrics. 17 refs., 2 figs., 1 tab.

Ab initio calculations for the elastic properties of magnesium under pressure

NASA Astrophysics Data System (ADS)

Sin'Ko, G. V.; Smirnov, N. A.

2009-09-01

Results of ab initio calculations of the elastic constants for the hcp, bcc, double hcp (dhcp), and fcc magnesium in a wide range of pressures are presented. The calculated elastic constants are compared with available experimental and theoretical data. We discuss the effect of the electron topological transition that occurs when the hcp structure is compressed on results of calculations and consider possibility of observing the hcp→dhcp transition on the magnesium Hugoniot.

The relationship between elastic constants and structure of shock waves in a zinc single crystal

NASA Astrophysics Data System (ADS)

Krivosheina, M. N.; Kobenko, S. V.; Tuch, E. V.

2017-12-01

The paper provides a 3D finite element simulation of shock-loaded anisotropic single crystals on the example of a Zn plate under impact using a mathematical model, which allows for anisotropy in hydrostatic stress and wave velocities in elastic and plastic ranges. The simulation results agree with experimental data, showing the absence of shock wave splitting into an elastic precursor and a plastic wave in Zn single crystals impacted in the [0001] direction. It is assumed that the absence of an elastic precursor under impact loading of a zinc single crystal along the [0001] direction is determined by the anomalously large ratio of the c/a-axes and close values of the propagation velocities of longitudinal and bulk elastic waves. It is shown that an increase in only one elastic constant along the [0001] direction results in shock wave splitting into an elastic precursor and a shock wave of "plastic" compression.

Generation and performance of special quasirandom structures for studying the elastic properties of random alloys: Application to Al-Ti

NASA Astrophysics Data System (ADS)

von Pezold, Johann; Dick, Alexey; Friák, Martin; Neugebauer, Jörg

2010-03-01

The performance of special-quasirandom structures (SQSs) for the description of elastic properties of random alloys was evaluated. A set of system-independent 32-atom-fcc SQS spanning the entire concentration range was generated and used to determine C11 , C12 , and C44 of binary random substitutional AlTi alloys. The elastic properties of these alloys could be described using the set of SQS with an accuracy comparable to the accuracy achievable by statistical sampling of the configurational space of 3×3×3 (108 atom, C44 ) and 4×4×4 (256 atom, C11 and C12 ) fcc supercells, irrespective of the impurity concentration. The smaller system size makes the proposed SQS ideal candidates for the ab initio determination of the elastic constants of random substitutional alloys. The set of optimized SQS is provided.

Elasticity of methane hydrate phases at high pressure.

PubMed

Beam, Jennifer; Yang, Jing; Liu, Jin; Liu, Chujie; Lin, Jung-Fu

2016-04-21

Determination of the full elastic constants (cij) of methane hydrates (MHs) at extreme pressure-temperature environments is essential to our understanding of the elastic, thermodynamic, and mechanical properties of methane in MH reservoirs on Earth and icy satellites in the solar system. Here, we have investigated the elastic properties of singe-crystal cubic MH-sI, hexagonal MH-II, and orthorhombic MH-III phases at high pressures in a diamond anvil cell. Brillouin light scattering measurements, together with complimentary equation of state (pressure-density) results from X-ray diffraction and methane site occupancies in MH from Raman spectroscopy, were used to derive elastic constants of MH-sI, MH-II, and MH-III phases at high pressures. Analysis of the elastic constants for MH-sI and MH-II showed intriguing similarities and differences between the phases' compressional wave velocity anisotropy and shear wave velocity anisotropy. Our results show that these high-pressure MH phases can exhibit distinct elastic, thermodynamic, and mechanical properties at relevant environments of their respective natural reservoirs. These results provide new insight into the determination of how much methane exists in MH reservoirs on Earth and on icy satellites elsewhere in the solar system and put constraints on the pressure and temperature conditions of their environment.

Ab-initio study of C15-type Laves phase superconductor LaRu2

NASA Astrophysics Data System (ADS)

Kholil, Md. Ibrahim; Islam, Md. Shahinur; Rahman, Md. Atikur

2017-01-01

Structural, elastic, electronic, optical, thermodynamic, and superconducting properties of the Laves phase superconductor LaRu2 with Tc 1.63 K were investigated using the first-principles calculations for the first time. The corresponding evaluated structural parameters are in good agreement with the available theoretical values. The different elastic properties like as, elastic constants, bulk modulus B, shear modulus G, Young's modulus E, and Poisson ratio ν were calculated using the Voigt-Reuss-Hill approximation. The ductility nature appears in both values of Cauchy pressure and Pugh's ratio. The band structure and Cauchy pressure shows that the material behaves metallic nature. The calculated total density of state is 6.80 (electrons/eV) of LaRu2. The optical properties such as reflectivity, absorption spectrum, refractive index, dielectric function, conductivity, and energy loss spectrum are also calculated. The photoconductivity reveals the metallic nature of LaRu2 and absorption coefficient is good in the infrared region. The evaluated density and Debye temperature are 9.55 gm/cm3 and 110.51 K, respectively. In addition, the study of thermodynamic properties like as minimum thermal conductivity, melting temperature, and Dulong-Petit limit are 0.26 (Wm-1 K-1), 1,471.65 K, and 74.80 (J/mole K), respectively. Finally, the investigated electron-phonon coupling constant is 0.66 of LaRu2 superconductor.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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 predictedmore » stability criteria from the elastic constants, showing stable structures, which agreed with the previously reported experimental results.« less

Acoustic Properties of Crystals with Jahn-Teller Impurities: Elastic Moduli and Relaxation Time. Application to SrF2:Cr2+

NASA Astrophysics Data System (ADS)

Averkiev, Nikita S.; Bersuker, Isaac B.; Gudkov, Vladimir V.; Zhevstovskikh, Irina V.; Sarychev, Maksim N.; Zherlitsyn, Sergei; Yasin, Shadi; Shakurov, Gilman S.; Ulanov, Vladimir A.; Surikov, Vladimir T.

2017-11-01

A new approach to evaluate the relaxation contribution to the total elastic moduli for crystals with Jahn-Teller (JT) impurities is worked out and applied to the analysis of the experimentally measured ultrasound velocity and attenuation in SrF2:Cr2+. Distinguished from previous work, the background adiabatic contribution to the moduli, important for revealing the impurity relaxation contribution, is taken into account. The temperature dependence of the relaxation time for transitions between the equivalent configurations of the JT centers has been obtained, and the activation energy for the latter in SrF2:Cr2+, as well as the linear vibronic coupling constant have been evaluated.

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

NASA Technical Reports Server (NTRS)

Cantrell, John H.

2014-01-01

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

A Simple Method to Measure the Twist Elastic Constant of a Nematic Liquid Crystal

DTIC Science & Technology

2015-01-01

for measuring the twist elastic constant (K22) of a nematic liquid crystal (LC). By adding some chiral dopant to an LC host, the LC directors rotate......of Optics and Photonics , University of Central Florida, Orlando, FL, USA (Received 14 June 2015; accepted 6 July 2015) We demonstrate a simple method

The capillary adhesion technique: a versatile method for determining the liquid adhesion force and sample stiffness

PubMed Central

Gandyra, Daniel; Gorb, Stanislav; Barthlott, Wilhelm

2015-01-01

Summary We report a novel, practical technique for the concerted, simultaneous determination of both the adhesion force of a small structure or structural unit (e.g., an individual filament, hair, micromechanical component or microsensor) to a liquid and its elastic properties. The method involves the creation and development of a liquid meniscus upon touching a liquid surface with the structure, and the subsequent disruption of this liquid meniscus upon removal. The evaluation of the meniscus shape immediately before snap-off of the meniscus allows the quantitative determination of the liquid adhesion force. Concurrently, by measuring and evaluating the deformation of the structure under investigation, its elastic properties can be determined. The sensitivity of the method is remarkably high, practically limited by the resolution of the camera capturing the process. Adhesion forces down to 10 µN and spring constants up to 2 N/m were measured. Three exemplary applications of this method are demonstrated: (1) determination of the water adhesion force and the elasticity of individual hairs (trichomes) of the floating fern Salvinia molesta. (2) The investigation of human head hairs both with and without functional surface coatings (a topic of high relevance in the field of hair cosmetics) was performed. The method also resulted in the measurement of an elastic modulus (Young’s modulus) for individual hairs of 3.0 × 105 N/cm2, which is within the typical range known for human hair. (3) Finally, the accuracy and validity of the capillary adhesion technique was proven by examining calibrated atomic force microscopy cantilevers, reproducing the spring constants calibrated using other methods. PMID:25671147

Order-disorder effects on the elastic properties of CuMPt6 (M=Cr and Co) compounds

NASA Astrophysics Data System (ADS)

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

2014-04-01

The elastic properties of CuMPt6 (M=Cr and Co) in disordered face-centered cubic (fcc) structure and ordered Cu3Au-type structure are studied with lattice inversion embedded-atom method. The calculated lattice constant and Debye temperature agree quite well with the comparable experimental data. The obtained formation enthalpy demonstrates that the Cu3Au-type structure is energetically more favorable. Numerical estimates of the elastic constants, bulk/shear modulus, Young's modulus, Poisson's ratio, elastic anisotropy, and Debye temperature for both compounds are performed, and the results suggest that the disordered fcc structure is much softer than the ordered Cu3Au-type structure.

Ultrasonic studies of aluminium-substituted Bi(Pb)-2223 superconductors

NASA Astrophysics Data System (ADS)

Solunke, M. B.; Sharma, P. U.; Pandya, M. P.; Lakhani, V. K.; Modi, K. B.; Venugopal Reddy, P.; Shah, S. S.

2005-09-01

The compositional dependence of elastic properties of Al^{3+}-substitu- ted Bi(Pb)-2223 superconducting system with the general formula Bi_{1.7-x}Al_xPb_{0.3}Sr_2Ca_2- Cu_3O_y (x = 0.0, 0.1, 0.2 and 0.3) have been studied by means of ultrasonic pulse transmission (UPT) technique at 1 MHz (300 K). The elastic moduli of the specimens are computed and corrected to zero porosity. The observed variation of elastic constants with aluminium substitution has been explained on the basis of the strength of interatomic bonding. The applicability of heterogeneous metal mixture rule for estimating elastic constants and transition temperature has been tested.

The Pricing of European Options Under the Constant Elasticity of Variance with Stochastic Volatility

NASA Astrophysics Data System (ADS)

Bock, Bounghun; Choi, Sun-Yong; Kim, Jeong-Hoon

This paper considers a hybrid risky asset price model given by a constant elasticity of variance multiplied by a stochastic volatility factor. A multiscale analysis leads to an asymptotic pricing formula for both European vanilla option and a Barrier option near the zero elasticity of variance. The accuracy of the approximation is provided in a rigorous manner. A numerical experiment for implied volatilities shows that the hybrid model improves some of the well-known models in view of fitting the data for different maturities.

Elasticity of the Earth's Lower Mantle Minerals at High Pressures: Implications to Understanding Seismic Observations of the Deep Mantle

NASA Astrophysics Data System (ADS)

Lin, J. F.; Yang, J.; Fu, S.

2017-12-01

Elasticity of the candidate lower-mantle minerals at relevant P-T conditions of the region provides critical information in understanding seismic profiles, compositional and mineralogical models, and geodynamic processes of the Earth's interior. Here we will discuss recent major research advances in the investigation of the elasticity of major lower-mantle minerals in a high-pressure diamond anvil cell coupled with Brillouin Light Scattering, Impulsive Stimulated Scattering (ISS), and X-ray diffraction. These have permitted direct and reliable measurements of both Vp and Vs to derive full elastic constants of single-crystal ferropericlase and (Fe, Al)-bearing bridgmanite as well as velocity profiles of polycrystalline silicate post-perovskite at relevant lower-mantle pressures. The effects of the spin transition on the single-crystal elasticity of ferropericlase are now well understood experimentally and theoretically1,2: the spin transition causes drastic softening in elastic constants involving the compressive stress component (C11 and C12) due to the additional Gibbs free energy term arising from the mixing of the high-spin and low-spin states, while the elastic constant(s) related to the shear stress component (C44) is not affected. This leads to significant reduction in VP/VS ratio within the spin transition of ferropericlase in the mid-lower mantle. The derived single-crystal Cij of bridgmanite at lower mantle pressures display relatively small elastic Vp and Vs anisotropies as compared to the ferropericlase counterpart. Using thermoelastic modelling, we will discuss the application of the elasticity of ferropericlase, bridgmanite, and silicate post-perovskite at relevant conditions of the Earth's lower mantle to differentiate the role of the thermal vs. chemical perturbations as well as the spin transition and iron partitioning effects in the reported seismic lateral heterogeneity in lower mantle as well as the D″ zone region3,4. We will address how recent elasticity results are applied to advance our understanding of seismic structures, mineralogical models, and geodynamic processes of the deep Earth's interior. References: 1Yang et al., Sci. Rep., 2015; 2Fu et al., Phys. Rev. Lett., 2017; 3Yang et al., J. Geophys. Res., 2016; 4Wu et al., Nature Comm., 2017.

Elasticity, slowness, thermal conductivity and the anisotropies in the Mn3Cu1-xGexN compounds

NASA Astrophysics Data System (ADS)

Li, Guan-Nan; Chen, Zhi-Qian; Lu, Yu-Ming; Hu, Meng; Jiao, Li-Na; Zhao, Hao-Ting

2018-03-01

We perform the first-principles to systematically investigate the elastic properties, minimum thermal conductivity and anisotropy of the negative thermal expansion compounds Mn3Cu1-xGexN. The elastic constant, bulk modulus, shear modulus, Young’s modulus and Poisson ratio are calculated for all the compounds. The results of the elastic constant indicate that all the compounds are mechanically stable and the doped Ge can adjust the ductile character of the compounds. According to the values of the percent ratio of the elastic anisotropy AB, AE and AG, shear anisotropic factors A1, A2 and A3, all the Mn3Cu1-xGexN compounds are elastic anisotropy. The three-dimensional diagrams of elastic moduli in space also show that all the compounds are elastic anisotropy. In addition, the acoustic wave speed, slowness, minimum thermal conductivity and Debye temperature are also calculated. When the ratio of content for Cu and Ge arrived to 1:1, the compound has the lowest thermal conductivity and the highest Debye temperature.

Elastic medium equivalent to Fresnel's double-refraction crystal.

PubMed

Carcione, José M; Helbig, Klaus

2008-10-01

In 1821, Fresnel obtained the wave surface of an optically biaxial crystal, assuming that light waves are vibrations of the ether in which longitudinal vibrations (P waves) do not propagate. An anisotropic elastic medium mathematically analogous to Fresnel's crystal exists. The medium has four elastic constants: a P-wave modulus, associated with a spherical P wave surface, and three elastic constants, c(44), c(55), and c(66), associated with the shear waves, which are mathematically equivalent to the three dielectric permittivity constants epsilon(11), epsilon(22), and epsilon(33) as follows: mu(0)epsilon(11)<==>rho/c(44), mu(0)epsilon(22)<==>rho/c(55), mu(0)epsilon(33)<==>rho/c(66), where mu(0) is the magnetic permeability of vacuum and rho is the mass density. These relations also represent the equivalence between the elastic and electromagnetic wave velocities along the principal axes of the medium. A complete mathematical equivalence can be obtained by setting the P-wave modulus equal to zero, but this yields an unstable elastic medium (the hypothetical ether). To obtain stability the P-wave velocity has to be assumed infinite (incompressibility). Another equivalent Fresnel's wave surface corresponds to a medium with anomalous polarization. This medium is physically unstable even for a nonzero P-wave modulus.

First-principles study of the structural, elastic, vibrational, thermodynamic and electronic properties of the Mo2B intermetallic under pressure

NASA Astrophysics Data System (ADS)

Escamilla, R.; Carvajal, E.; Cruz-Irisson, M.; Romero, M.; Gómez, R.; Marquina, V.; Galván, D. H.; Durán, A.

2016-12-01

The structural, elastic, vibrational, thermodynamic and electronic properties of the Mo2B intermetallic under pressure are assessed using first-principles calculations based on the generalized gradient approximation (GGA) proposed by Perdew-Wang (PW91). Our results show that the calculated structural parameters at a pressure of zero GPa are in good agreement with the available experimental data. The effect of high pressures on the lattice constants shows that the compression along the c-axis and along the a-axis are similar. The elastic constants were calculated using the static finite strain technique, and the bulk shear moduli are derived from the ideal polycrystalline aggregate. We find that the elastic constants, elastic modulus and hardness monotonically increase as a function of pressure; consequently, the structure is dynamically stable and tends from brittle to ductile behavior under pressure. The Debye temperature θD increases and the so-called Gru¨ neisen constant γ decreases due to stiffening of the crystal structure. The phonon dispersion curves were obtained using the direct method. Additionally, the internal energy (ΔE), the Helmholtz free energy (ΔF), the entropy (S) and the lattice contribution to the heat capacity Cv were calculated and analyzed with the help of the phonon dispersion curves. The N(EF) and the electron transfer between the B and Mo atoms increase as a function of pressure.

Structural, electronic, elastic, and thermal properties of CaNiH3 perovskite obtained from first-principles calculations

NASA Astrophysics Data System (ADS)

Benlamari, S.; Bendjeddou, H.; Boulechfar, R.; Amara Korba, S.; Meradji, H.; Ahmed, R.; Ghemid, S.; Khenata, R.; Omran, S. Bin

2018-03-01

A theoretical study of the structural, elastic, electronic, mechanical, and thermal properties of the perovskite-type hydride CaNiH3 is presented. This study is carried out via first-principles full potential (FP) linearized augmented plane wave plus local orbital (LAPW+lo) method designed within the density functional theory (DFT). To treat the exchange–correlation energy/potential for the total energy calculations, the local density approximation (LDA) of Perdew–Wang (PW) and the generalized gradient approximation (GGA) of Perdew–Burke–Ernzerhof (PBE) are used. The three independent elastic constants (C 11, C 12, and C 44) are calculated from the direct computation of the stresses generated by small strains. Besides, we report the variation of the elastic constants as a function of pressure as well. From the calculated elastic constants, the mechanical character of CaNiH3 is predicted. Pertaining to the thermal properties, the Debye temperature is estimated from the average sound velocity. To further comprehend this compound, the quasi-harmonic Debye model is used to analyze the thermal properties. From the calculations, we find that the obtained results of the lattice constant (a 0), bulk modulus (B 0), and its pressure derivative ({B}0^{\\prime }) are in good agreement with the available theoretical as well as experimental results. Similarly, the obtained electronic band structure demonstrates the metallic character of this perovskite-type hydride.

Three-body interactions and the elastic constants of hcp solid 4He

NASA Astrophysics Data System (ADS)

Barnes, Ashleigh L.; Hinde, Robert J.

2017-09-01

The effect of three-body interactions on the elastic properties of hexagonal close packed solid 4He is investigated using variational path integral (VPI) Monte Carlo simulations. The solid's nonzero elastic constants are calculated, at T = 0 K and for a range of molar volumes from 7.88 cm3/mol to 20.78 cm3/mol, from the bulk modulus and the three pure shear constants C0, C66, and C44. Three-body interactions are accounted for using our recently reported perturbative treatment based on the nonadditive three-body potential of Cencek et al. Previous studies have attempted to account for the effect of three-body interactions on the elastic properties of solid 4He; however, these calculations have treated zero point motions using either the Einstein or Debye approximations, which are insufficient in the molar volume range where solid 4He is characterized as a quantum solid. Our VPI calculations allow for a more accurate treatment of the zero point motions which include atomic correlation. From these calculations, we find that agreement with the experimental bulk modulus is significantly improved when three-body interactions are considered. In addition, three-body interactions result in non-negligible differences in the calculated pure shear constants and nonzero elastic constants, particularly at higher densities, where differences of up to 26.5% are observed when three-body interactions are included. We compare to the available experimental data and find that our results are generally in as good or better agreement with experiment as previous theoretical investigations.

Evaluation of copper, aluminum, and nickel interatomic potentials on predicting the elastic properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rassoulinejad-Mousavi, Seyed Moein; Mao, Yijin; Zhang, Yuwen, E-mail: zhangyu@missouri.edu

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 the mechanical behavior of materials at micro/nanoscale have 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 asmore » the most applicable case. Examined force fields for the three species were taken from online repositories of National Institute of Standards and Technology, as well as the Sandia National Laboratories, the LAMMPS database. Using molecular dynamic simulations, the three independent elastic constants, C{sub 11}, C{sub 12}, and C{sub 44}, were found for Cu, Al, and Ni cubic single crystals. Voigt-Reuss-Hill approximation was then implemented to convert elastic constants of the single crystals into isotropic polycrystalline elastic moduli including bulk modulus, shear modulus, and Young's modulus as well as Poisson's ratio. Simulation results from massive molecular dynamic were compared with available experimental data in the literature to justify the robustness of each potential for each species. Eventually, accurate interatomic potentials have been recommended for finding each of the elastic properties of the pure species. Exactitude of the elastic properties was found to be sensitive to the choice of the force fields. Those potentials that were fitted for a specific compound may not necessarily work accurately for all the existing pure species. Tabulated results in this paper might be used as a benchmark to increase assurance of using the interatomic potential that was designated for a problem.« less

Far-infrared elastic scattering proposal for the Avogadro Project's silicon spheres

NASA Astrophysics Data System (ADS)

Humayun, Muhammad Hamza; Khan, Imran; Azeem, Farhan; Chaudhry, Muhammad Rehan; Gökay, Ulaş Sabahattin; Murib, Mohammed Sharif; Serpengüzel, Ali

2018-05-01

Avogadro constant determines the number of particles in one mole of a substance, thus relating the molar mass of the substance to the mass of this substance. Avogadro constant is related to Système Internationale base units by defining the very concept of chemical quantity. Revisions of the base units created a need to redefine the Avogadro constant, where a collaborative work called the Avogadro Project is established to employ optical interferometry to measure the diameter of high quality 100 mm silicon spheres. We propose far-infrared spectroscopy for determining the Avogadro constant by using elastic scattering from the 100 mm Avogadro Project silicon spheres. Similar spectroscopic methods are already in use in the near-infrared, relating whispering gallery modes of the 1 mm silicon spheres to the diameter of the spheres. We present numerical simulations in the far-infrared and the near-infrared, as well as spatially scaled down elastic scattering measurements in the near-infrared. These numerical and experimental results show that, the diameter measurements of 100 mm single crystal silicon spheres with elastic scattering in the far-infrared can be considered as an alternative to optical interferometry.

Elastic properties of paramagnetic austenitic steel at finite temperature: Longitudinal spin fluctuations in multicomponent alloys

NASA Astrophysics Data System (ADS)

Dong, Zhihua; Schönecker, Stephan; Chen, Dengfu; Li, Wei; Long, Mujun; Vitos, Levente

2017-11-01

We propose a first-principles framework for longitudinal spin fluctuations (LSFs) in disordered paramagnetic (PM) multicomponent alloy systems and apply it to investigate the influence of LSFs on the temperature dependence of two elastic constants of PM austenitic stainless steel Fe15Cr15Ni. The magnetic model considers individual fluctuating moments in a static PM medium with first-principles-derived LSF energetics in conjunction with describing chemical disorder and randomness of the transverse magnetic component in the single-site alloy formalism and disordered local moment (DLM) picture. A temperature-sensitive mean magnetic moment is adopted to accurately represent the LSF state in the elastic-constant calculations. We make evident that magnetic interactions between an LSF impurity and the PM medium are weak in the present steel alloy. This allows gaining accurate LSF energetics and mean magnetic moments already through a perturbation from the static DLM moments instead of a tedious self-consistent procedure. We find that LSFs systematically lower the cubic shear elastic constants c' and c44 by ˜6 GPa in the temperature interval 300-1600 K, whereas the predominant mechanism for the softening of both elastic constants with temperature is the magneto-volume coupling due to thermal lattice expansion. We find that non-negligible local magnetic moments of Cr and Ni are thermally induced by LSFs, but they exert only a small influence on the elastic properties. The proposed framework exhibits high flexibility in accurately accounting for finite-temperature magnetism and its impact on the mechanical properties of PM multicomponent alloys.

Experimental evaluation of tailored chordwise deformable box beam and correlation with theory

NASA Technical Reports Server (NTRS)

Rehfield, Lawrence W.; Zischka, Peter J.; Chang, Stephen; Fentress, Michael L.; Ambur, Damodar R.

1993-01-01

This paper describes an experimental methodology based upon the use of a flexible sling support and load application system that has been created and utilized to evaluate a box beam which incorporates an elastic tailoring technology. The design technique used here for elastically tailoring the composite box beam structure is to produce exaggerated chordwise camber deformation of substantial magnitude to be of practical use in the new composite aircraft wings. The traditional methods such as a four-point bend test to apply constant bending moment with rigid fixtures inhibits the designed chordwise deformation from occurring and, hence, the need for the new test method. The experimental results for global camber and spanwise bending compliances correlate well with theoretical predictions based on a beam-like model.

A first-principles study of elastic and diffusion properties of magnesium based alloys

NASA Astrophysics Data System (ADS)

Ganeshan, Swetha

2011-12-01

In this thesis, the influence of alloying elements on the elastic and diffusion properties of Magnesium (Mg) has been studied based on first-principles density functional theory. The stress-strain method has been used to predict the elastic constants of the Mg based alloys studied herein. This method involves calculating the resultant change in stress due to application of strain. The validity of this method has been successfully tested for both 0K as well as at finite temperatures. The elastic constants predicted in this work have been correlated to ductility, fracture toughness, stiffness, elastic anisotropy and bond directionality, thus providing a better understanding of the influence of alloying elements on the mechanical and physical properties of Mg. Elastic constants, as a function of temperature have been predicted using first-principles quasi-static approximation. In this approach elastic stiffness coefficients calculated with respect to volume (cij( V)) have been correlated to the equilibrium volume as a function of temperature V(T) from phonon calculations to obtain temperature dependence of elastic stiffness coefficients cij(T). To compare our calculated temperature dependent elastic constants with that of experiments an isentropic correction term has been introduced. It is seen that the influence of this isentropic correction term on the elastic constants becomes significant at high temperatures. The quasi-static approximation has been primarily applied to calculate temperature dependent elastic constants of Mg2Ge, Mg2Si, Mg 2Sn and Mg2Pb. In the case of dilute Mg alloys, a 36 atom supercell with 35 atoms of Mg and one atom of the alloying impurity has been used for calculating the corresponding elastic constants. It is seen that there is a direct correspondence between the trends in the elastic constants and the lattice parameters of all the Mg based alloys studied herein. Elements that cause a decrease (increase) in the lattice constants result in an increase (decrease) in the bulk modulus. Self-diffusion calculations of Mg have been performed within both LDA and GGA. It is seen that, in the absence of surface corrections, while results of the two approximations (i.e. LDA and GGA) bound experimental data, better agreement is seen with respect to results from LDA, in comparison with experimental measurements. The effect of thermal expansion on the diffusivity of Mg has been studied using both HA and QHA. It is seen that the influence of anharmonicity on the diffusivity of Mg is negligible. Self-diffusion of Mg is faster in the basal plane than between adjacent basal planes. Partial correlation factors corresponding to the diffusion of a Mg atom from one basal plane to the adjacent basal plane, i.e. fBx and fBz, decrease with temperature whereas the partial correlation factor corresponding to the diffusion of Mg atom within the basal plane, i.e. fAx , increases with temperature. The ratio of jump frequencies w⊥/w∥ for self-diffusion of Mg increase with increase in temperature. The method used to calculate self-diffusion coefficients has been extended to compute impurity diffusion coefficients of Al, Ca, Sn and Zn in Mg. For these calculations, a 36 atom supercell with 1 vacant site and 1 impurity has been used. The 8-frequencey model has been implemented to obtain the different atom jump frequencies in order to calculate impurity diffusion coefficients in Mg. The trend in the impurity diffusion coefficients, with the exception of DZn-Mg is as follows: D Mg-Ca>DMg>DMg-Sn> DMg-Al. For impurity diffusion of Zn in Mg, at high temperatures DMg-Zn overlaps with that of DMg-Al , while at low temperatures it overlaps with that of D Mg-Sn. The different atom jump frequencies computed during the diffusion calculations are seen to be temperature dependent, increasing with increase in temperature. The correlation factors for all the alloy systems considered herein, is close to 1. This is expected to be due to the close packing of Mg lattice. (Abstract shortened by UMI.)

Analysis of the structural behaviour of colonic segments by inflation tests: Experimental activity and physio-mechanical model.

PubMed

Carniel, Emanuele L; Mencattelli, Margherita; Bonsignori, Gabriella; Fontanella, Chiara G; Frigo, Alessandro; Rubini, Alessandro; Stefanini, Cesare; Natali, Arturo N

2015-11-01

A coupled experimental and computational approach is provided for the identification of the structural behaviour of gastrointestinal regions, accounting for both elastic and visco-elastic properties. The developed procedure is applied to characterize the mechanics of gastrointestinal samples from pig colons. Experimental data about the structural behaviour of colonic segments are provided by inflation tests. Different inflation processes are performed according to progressively increasing top pressure conditions. Each inflation test consists of an air in-flow, according to an almost constant increasing pressure rate, such as 3.5 mmHg/s, up to a prescribed top pressure, which is held constant for about 300 s to allow the development of creep phenomena. Different tests are interspersed by 600 s of rest to allow the recovery of the tissues' mechanical condition. Data from structural tests are post-processed by a physio-mechanical model in order to identify the mechanical parameters that interpret both the non-linear elastic behaviour of the sample, as the instantaneous pressure-stretch trend, and the time-dependent response, as the stretch increase during the creep processes. The parameters are identified by minimizing the discrepancy between experimental and model results. Different sets of parameters are evaluated for different specimens from different pigs. A statistical analysis is performed to evaluate the distribution of the parameters and to assess the reliability of the experimental and computational activities. © IMechE 2015.

The influence of time dependent flight and maneuver velocities and elastic or viscoelastic flexibilities on aerodynamic and stability derivatives

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cochrane, Alexander P.; Merrett, Craig G.; Hilton, Harry H.

2014-12-10

The advent of new structural concepts employing composites in primary load carrying aerospace structures in UAVs, MAVs, Boeing 787s, Airbus A380s, etc., necessitates the inclusion of flexibility as well as viscoelasticity in static structural and aero-viscoelastic analyses. Differences and similarities between aeroelasticity and aero-viscoelasticity have been investigated in [2]. An investigation is undertaken as to the dependence and sensitivity of aerodynamic and stability derivatives to elastic and viscoelastic structural flexibility and as to time dependent flight and maneuver velocities. Longitudinal, lateral and directional stabilities are investigated. It has been a well established fact that elastic lifting surfaces are subject tomore » loss of control effectiveness and control reversal at certain flight speeds, which depend on aerodynamic, structural and material properties [5]. Such elastic analyses are extended to linear viscoelastic materials under quasi-static, dynamic, and sudden and gradual loading conditions. In elastic wings one of the critical static parameters is the velocity at which control reversal takes place (V{sub REV}{sup E}). Since elastic formulations constitute viscoelastic initial conditions, viscoelastic reversal may occur at speeds V{sub REV<}{sup ≧}V{sub REV}{sup E}, but furthermore does so in time at 0 < t{sub REV} ≤ ∞. The influence of the twin effects of viscoelastic and elastic materials and of variable flight velocities on longitudinal, lateral, directional and spin stabilities are also investigated. It has been a well established fact that elastic lifting surfaces are subject to loss of control effectiveness and control reversal at certain flight speeds, which depend on aerodynamic, structural and material properties [5]. Such elastic analyses are here extended to linear viscoelastic materials under quasi-static, dynamic, and sudden and gradual loading conditions. In elastic wings the critical parameter is the velocity at which control reversal takes place (V{sub REV}{sup E}). Since elastic formulations constitute viscoelastic initial conditions, viscoelastic reversal may occur at speeds V{sub REV<}{sup ≧}V{sub REV}{sup E}, but furthermore does so in time at 0 < t{sub REV} ≤ ∞. This paper reports on analytical analyses and simulations of the effects of flexibility and time dependent material properties (viscoelasticity) on aerodynamic derivatives and on lateral, longitudinal, directional and spin stability derivatives. Cases of both constant and variable flight and maneuver velocities are considered. Analytical results for maneuvers involving constant and time dependent rolling velocities are analyzed, discussed and evaluated. The relationships between rolling velocity p and aileron angular displacement β as well as control effectiveness are analyzed and discussed in detail for elastic and viscoelastic wings. Such analyses establish the roll effectiveness derivatives (∂[p(t)])/(V{sub ∞}∂β(t)) . Similar studies involving other stability and aerodynamic derivatives are also undertaken. The influence of the twin effects of viscoelastic and elastic materials and of variable flight, rolling, pitching and yawing velocities on longitudinal, lateral and directional are also investigated. Variable flight velocities, encountered during maneuvers, render the usually linear problem at constant velocities into a nonlinear one.« less

Charting the complete elastic properties of inorganic crystalline compounds

PubMed Central

de Jong, Maarten; Chen, Wei; Angsten, Thomas; Jain, Anubhav; Notestine, Randy; Gamst, Anthony; Sluiter, Marcel; Krishna Ande, Chaitanya; van der Zwaag, Sybrand; Plata, Jose J; Toher, Cormac; Curtarolo, Stefano; Ceder, Gerbrand; Persson, Kristin A.; Asta, Mark

2015-01-01

The elastic constant tensor of an inorganic compound provides a complete description of the response of the material to external stresses in the elastic limit. It thus provides fundamental insight into the nature of the bonding in the material, and it is known to correlate with many mechanical properties. Despite the importance of the elastic constant tensor, it has been measured for a very small fraction of all known inorganic compounds, a situation that limits the ability of materials scientists to develop new materials with targeted mechanical responses. To address this deficiency, we present here the largest database of calculated elastic properties for inorganic compounds to date. The database currently contains full elastic information for 1,181 inorganic compounds, and this number is growing steadily. The methods used to develop the database are described, as are results of tests that establish the accuracy of the data. In addition, we document the database format and describe the different ways it can be accessed and analyzed in efforts related to materials discovery and design. PMID:25984348

Elastic Properties of Novel Co- and CoNi-Based Superalloys Determined through Bayesian Inference and Resonant Ultrasound Spectroscopy

NASA Astrophysics Data System (ADS)

Goodlet, Brent R.; Mills, Leah; Bales, Ben; Charpagne, Marie-Agathe; Murray, Sean P.; Lenthe, William C.; Petzold, Linda; Pollock, Tresa M.

2018-06-01

Bayesian inference is employed to precisely evaluate single crystal elastic properties of novel γ -γ ' Co- and CoNi-based superalloys from simple and non-destructive resonant ultrasound spectroscopy (RUS) measurements. Nine alloys from three Co-, CoNi-, and Ni-based alloy classes were evaluated in the fully aged condition, with one alloy per class also evaluated in the solution heat-treated condition. Comparisons are made between the elastic properties of the three alloy classes and among the alloys of a single class, with the following trends observed. A monotonic rise in the c_{44} (shear) elastic constant by a total of 12 pct is observed between the three alloy classes as Co is substituted for Ni. Elastic anisotropy ( A) is also increased, with a large majority of the nearly 13 pct increase occurring after Co becomes the dominant constituent. Together the five CoNi alloys, with Co:Ni ratios from 1:1 to 1.5:1, exhibited remarkably similar properties with an average A 1.8 pct greater than the Ni-based alloy CMSX-4. Custom code demonstrating a substantial advance over previously reported methods for RUS inversion is also reported here for the first time. CmdStan-RUS is built upon the open-source probabilistic programing language of Stan and formulates the inverse problem using Bayesian methods. Bayesian posterior distributions are efficiently computed with Hamiltonian Monte Carlo (HMC), while initial parameterization is randomly generated from weakly informative prior distributions. Remarkably robust convergence behavior is demonstrated across multiple independent HMC chains in spite of initial parameterization often very far from actual parameter values. Experimental procedures are substantially simplified by allowing any arbitrary misorientation between the specimen and crystal axes, as elastic properties and misorientation are estimated simultaneously.

In-plane elastic properties of auxetic multilattices

NASA Astrophysics Data System (ADS)

Berinskii, Igor E.

2018-07-01

Numerous studies proposed the possible use of auxetic periodic structures in engineering applications. The regular cellular structures with several nodes in a unit cell of the lattice are referred to as multilattices. In this work, a homogenization procedure was applied to three types of plane multilattices: conventional and re-entrant honeycombs (REH), double arrowheads, and semi REH constructed from elastic ribs. It was shown, that for all considered lattices the components of effective tensors of elasticity can be obtained in an explicit way in the frames of the same approach taking stretching, bending and shear of the ribs into account. As a result, equivalent elastic in-plane properties were found analytically as the functions of geometrical parameters of the lattices and the elastic parameters of the ribs. The estimation of the limits for the elastic properties was also performed. It was investigated how the condition of constant density changes the dependence of the elastic constants on the angles between the nodes. Also, different lattices were investigated at the same reference density taken equal to the density of the honeycomb lattice. The most typical cases from the practical point of view were considered and the corresponding elastic parameters were calculated for them.

The effective propagation constants of SH wave in composites reinforced by dispersive parallel nanofibers

NASA Astrophysics Data System (ADS)

Qiang, FangWei; Wei, PeiJun; Li, Li

2012-07-01

In the present paper, the effective propagation constants of elastic SH waves in composites with randomly distributed parallel cylindrical nanofibers are studied. The surface stress effects are considered based on the surface elasticity theory and non-classical interfacial conditions between the nanofiber and the host are derived. The scattering waves from individual nanofibers embedded in an infinite elastic host are obtained by the plane wave expansion method. The scattering waves from all fibers are summed up to obtain the multiple scattering waves. The interactions among random dispersive nanofibers are taken into account by the effective field approximation. The effective propagation constants are obtained by the configurational average of the multiple scattering waves. The effective speed and attenuation of the averaged wave and the associated dynamical effective shear modulus of composites are numerically calculated. Based on the numerical results, the size effects of the nanofibers on the effective propagation constants and the effective modulus are discussed.

Quasi-linear viscoelastic properties of the human medial patello-femoral ligament.

PubMed

Criscenti, G; De Maria, C; Sebastiani, E; Tei, M; Placella, G; Speziali, A; Vozzi, G; Cerulli, G

2015-12-16

The evaluation of viscoelastic properties of human medial patello-femoral ligament is fundamental to understand its physiological function and contribution as stabilizer for the selection of the methods of repair and reconstruction and for the development of scaffolds with adequate mechanical properties. In this work, 12 human specimens were tested to evaluate the time- and history-dependent non linear viscoelastic properties of human medial patello-femoral ligament using the quasi-linear viscoelastic (QLV) theory formulated by Fung et al. (1972) and modified by Abramowitch and Woo (2004). The five constant of the QLV theory, used to describe the instantaneous elastic response and the reduced relaxation function on stress relaxation experiments, were successfully evaluated. It was found that the constant A was 1.21±0.96MPa and the dimensionless constant B was 26.03±4.16. The magnitude of viscous response, the constant C, was 0.11±0.02 and the initial and late relaxation time constants τ1 and τ2 were 6.32±1.76s and 903.47±504.73s respectively. The total stress relaxation was 32.7±4.7%. To validate our results, the obtained constants were used to evaluate peak stresses from a cyclic stress relaxation test on three different specimens. The theoretically predicted values fit the experimental ones demonstrating that the QLV theory could be used to evaluate the viscoelastic properties of the human medial patello-femoral ligament. Copyright © 2015 Elsevier Ltd. All rights reserved.

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

DOE PAGES

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

2016-05-23

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

Electromyographic Comparison of Squats Using Constant or Variable Resistance.

PubMed

Andersen, Vidar; Steiro Fimland, Marius; Knutson Kolnes, Maria; Jensen, Susanne; Laume, Martine; Hole Saeterbakken, Atle

2016-12-01

Andersen, V, Fimland, MS, Kolnes, MK, Jensen, S, Laume, M and Saeterbakken, AH. Electromyographic comparison of squats using constant or variable resistance. J Strength Cond Res 30(12): 3456-3463, 2016-The aim of the study was to compare the electromyographic (EMG) activity of vastus lateralis, vastus medialis, rectus femoris, and biceps femoris when performing the squat with constant resistance or variable resistance with 2 or 4 elastic bands, respectively, contributing with a mean of 39 and 73% of the total loads. Nineteen resistance-trained women performed 6 repetition maximum using 3 different experimental conditions: free weights (FW), free weights + 2 elastic bands (FW + 2EB), and free weights + 4 elastic bands (FW + 4EB). During analyses, each repetition was divided into 6 phases: upper (more extended knee), middle, and lower phase of the descending and ascending movements. Increased activation in the upper parts of the movement was observed for both variable resistance conditions compared with constant resistance (9-51%, p < 0.001-0.050). Further, a dose-response effect of variable resistance was observed in the upper ascending movement, with 4 elastic bands increasing muscle activation more than 2 elastic bands (7-28%, p = 0.003-0.007). For the whole movement, a 12% higher activation of the biceps femoris was observed for FW + 4EB compared with FW (p = 0.005). There were no differences between the other conditions in any of the muscles (p = 0.077-1.000). In conclusion, performing the squat using free weights in combination with elastic bands seems to be preferable compared with free weights alone and more so with a high contribution from variable resistance to the total load.

Optimal determination of the elastic constants of composite materials from ultrasonic wave-speed measurements

NASA Astrophysics Data System (ADS)

Castagnède, Bernard; Jenkins, James T.; Sachse, Wolfgang; Baste, Stéphane

1990-03-01

A method is described to optimally determine the elastic constants of anisotropic solids from wave-speeds measurements in arbitrary nonprincipal planes. For such a problem, the characteristic equation is a degree-three polynomial which generally does not factorize. By developing and rearranging this polynomial, a nonlinear system of equations is obtained. The elastic constants are then recovered by minimizing a functional derived from this overdetermined system of equations. Calculations of the functional are given for two specific cases, i.e., the orthorhombic and the hexagonal symmetries. Some numerical results showing the efficiency of the algorithm are presented. A numerical method is also described for the recovery of the orientation of the principal acoustical axes. This problem is solved through a double-iterative numerical scheme. Numerical as well as experimental results are presented for a unidirectional composite material.

A Unit-Cell Model for Predicting the Elastic Constants of 3D Four Directional Cylindrical Braided Composite Shafts

NASA Astrophysics Data System (ADS)

Hao, Wenfeng; Liu, Ye; Huang, Xinrong; Liu, Yinghua; Zhu, Jianguo

2018-06-01

In this work, the elastic constants of 3D four directional cylindrical braided composite shafts were predicted using analytical and numerical methods. First, the motion rule of yarn carrier of 3D four directional cylindrical braided composite shafts was analyzed, and the horizontal projection of yarn motion trajectory was obtained. Then, the geometry models of unit-cells with different braiding angles and fiber volume contents were built up, and the meso-scale models of 3D cylindrical braided composite shafts were obtained. Finally, the effects of braiding angles and fiber volume contents on the elastic constants of 3D braided composite shafts were analyzed theoretically and numerically. These results play a crucial role in investigating the mechanical properties of 3D 4-directional braided composites shafts.

Elastic fiber-mediated enthesis in the human middle ear

PubMed Central

Kawase, Tetsuaki; Shibata, Shunichi; Katori, Yukio; Ohtsuka, Aiji; Murakami, Gen; Fujimiya, Mineko

2012-01-01

Adaptation to constant vibration (acoustic oscillation) is likely to confer a specific morphology at the bone–tendon and bone–ligament interfaces at the ear ossicles, which therefore represent an exciting target of enthesis research. We histologically examined (i) the bone attachments of the tensor tympani and stapedius muscles and (ii) the annular ligament of the incudostapedial joint obtained from seven elderly donated cadavers. Notably, both aldehyde-fuchsin and elastic-Masson staining demonstrated that the major fibrous component of the entheses was not collagen fibers but mature elastic fibers. The positive controls for elastic fiber staining were the arterial wall elastic laminae included in the temporal bone materials. The elastic fibers were inserted deeply into the type II collagen-poor fibrocartilage covering the ear ossicles. The muscle tendons were composed of an outer thin layer of collagen fibers and an inner thick core of elastic fibers near the malleus or stapes. In the unique elastic fiber-mediated entheses, hyaluronan, versican and fibronectin were expressed strongly along the elastic fibers. The hyaluronan seemed to act as a friction-reducing lubricant for the elastic fibers. Aggrecan was labeled strongly in a disk- or plica-like fibrous mass on the inner side of the elastic fiber-rich ligament, possibly due to compression stress from the ligament. Tenascin-c was not evident in the entheses. The elastic fiber-mediated entheses appeared resistant to tissue destruction in an environment exposed to constant vibration. The morphology was unlikely to be the result of age-related degeneration. PMID:22803514

Structural, elastic and electronic properties of transition metal carbides ZnC, NbC and their ternary alloys ZnxNb1-xC

NASA Astrophysics Data System (ADS)

Zidi, Y.; Méçabih, S.; Abbar, B.; Amari, S.

2018-02-01

We have investigated the structural, electronic and elastic properties of transition-metal carbides ZnxNb1-xC alloys in the range of 0 ≤ x ≤ 1 using the density functional theory (DFT). The full potential linearized augmented plane wave (FP-LAPW) method within a framework of the generalized gradient approximation (GGA) and GGA + U (where U is the Hubbard correlation terms) approach is used to perform the calculations presented here. The lattice parameters, the bulk modulus, its pressure derivative and the elastic constants were determined. We have obtained Young's modulus, shear modulus, Poisson's ratio, anisotropy factor by the aid of the calculated elastic constants. We discuss the total and partial densities of states and charge densities.

Effective transport properties of composites of spheres

NASA Astrophysics Data System (ADS)

Felderhof, B. U.

1994-06-01

The effective linear transport properties of composites of spheres may be studied by the methods of statistical physics. The analysis leads to an exact cluster expansion. The resulting expression for the transport coefficients may be evaluated approximately as the sum of a mean field contribution and correction terms, given by cluster integrals over two-sphere and three-sphere correlation functions. Calculations of this nature have been performed for the effective dielectric constant, as well as the effective elastic constants of composites of spheres. Accurate numerical data for the effective properties may be obtained by computer simulation. An efficient formulation uses multiple expansion in Cartesian coordinates and periodic boundary conditions. Extensive numerical results have been obtained for the effective dielectric constant of a suspension of randomly distributed spheres.

Frustration in protein elastic network models

NASA Astrophysics Data System (ADS)

Lezon, Timothy; Bahar, Ivet

2010-03-01

Elastic network models (ENMs) are widely used for studying the equilibrium dynamics of proteins. The most common approach in ENM analysis is to adopt a uniform force constant or a non-specific distance dependent function to represent the force constant strength. Here we discuss the influence of sequence and structure in determining the effective force constants between residues in ENMs. Using a novel method based on entropy maximization, we optimize the force constants such that they exactly reporduce a subset of experimentally determined pair covariances for a set of proteins. We analyze the optimized force constants in terms of amino acid types, distances, contact order and secondary structure, and we demonstrate that including frustrated interactions in the ENM is essential for accurately reproducing the global modes in the middle of the frequency spectrum.

Temperature-dependent elasticity of Pb [(Mg0.33Nb0.67 ) 1 -xT ix ] O3

NASA Astrophysics Data System (ADS)

Tennakoon, Sumudu; Gladden, Joseph; Mookherjee, Mainak; Besara, Tiglet; Siegrist, Theo

2017-10-01

Relaxor ferroelectric materials, such as Pb [(Mg0.33Nb0.67 ) 1 -xT ix ] O3 (PMN-PT) with generic stoichiometry, undergo a ferroelectric-to-paraelectric phase transition as a function of temperature. The exact transition characterized by Curie temperature (Tc) varies as a function of chemistry (x ), i.e., the concentration of Ti. In this study, we investigated the structural phase transition by exploring the temperature dependence of the single-crystal elastic properties of Pb [(Mg0.33Nb0.67 ) 0.7T i0.3 ] O3 , i.e., x ≈0.3 . We used resonant ultrasound spectroscopy to determine the elasticity at elevated temperatures, from which Tc=398 ±5 K for PMN-PT (x ≈0.3 ) was determined. We report the full elastic constant tensor (Ci j={ C11,C12,C44 }), acoustic attenuation (Q-1), longitudinal (VP) and shear (VS) sound velocities, and elastic anisotropy of PMN-PT as a function of temperature for 400 Tc the material first stiffens and reaches maxima in the vicinity of the Burns temperature (Tb˜673 K ), followed by a more typical gradual softening of the elastic constants. Similar temperature-dependent anomalies are also observed with anisotropy and Q-1, with minima in the vicinity of Tb. We used the temperature dependence of Ci j, Q-1, VP,VS , and anisotropy to infer the evolution of polar nanoregions as the material evolved from T >Tc .

Orientation dependence of elastic and piezomagnetic properties in NiFe2O4

NASA Astrophysics Data System (ADS)

Jian, Gang; Xue, Fei; Zhang, Chen; Yan, Chao; Zhao, Ning; Wong, C. P.

2017-11-01

In this paper, the crystal orientation dependence of the elastic and piezomagnetic properties have been calculated for nickel ferrite (NiFe2O4) in three-dimensional space by means of coordinate transformations. The maximum elastic compliances s11‧, s12‧ and piezomagnetic constants q31‧, q33‧ along specific orientations have been determined based on experimental data of NiFe2O4 and original matrices for m3m point group. The piezomagnetic constants q31‧ and q33‧ show highly dependence on crystal orientation compared with elastic compliances s11‧, s12‧, meanwhile permittivity μ33‧ is a constant. The max s11‧ and s12‧ can be obtained along directions [n k l] (n·k = 0, l ≠ 0) and [n k l] (n·k·l = 0), respectively. The max q31‧ and max q33‧ lie along [0 0 1] and [1 1 1] axes, respectively, NiFe2O4||[1 1 1] axis can produce large q31‧ and q33‧ at the same time. The result suggests that by adopting the optimal directions, the elastic and piezomagnetic properties of the devices made from NiFe2O4 can be precisely modulated.

Improved Indentation Test for Measuring Nonlinear Elasticity

NASA Technical Reports Server (NTRS)

Eldridge, Jeffrey I.

2004-01-01

A cylindrical-punch indentation technique has been developed as a means of measuring the nonlinear elastic responses of materials -- more specifically, for measuring the moduli of elasticity of materials in cases in which these moduli vary with applied loads. This technique offers no advantage for characterizing materials that exhibit purely linear elastic responses (constant moduli of elasticity, independent of applied loads). However, the technique offers a significant advantage for characterizing such important materials as plasma-sprayed thermal-barrier coatings, which, in cyclic loading, exhibit nonlinear elasticity with hysteresis related to compaction and sliding within their microstructures.

Characteristics of Viscoelastic Crustal Deformation Following a Megathrust Earthquake: Discrepancy Between the Apparent and Intrinsic Relaxation Time Constants

NASA Astrophysics Data System (ADS)

Fukahata, Yukitoshi; Matsu'ura, Mitsuhiro

2018-02-01

The viscoelastic deformation of an elastic-viscoelastic composite system is significantly different from that of a simple viscoelastic medium. Here, we show that complicated transient deformation due to viscoelastic stress relaxation after a megathrust earthquake can occur even in a very simple situation, in which an elastic surface layer (lithosphere) is underlain by a viscoelastic substratum (asthenosphere) under gravity. Although the overall decay rate of the system is controlled by the intrinsic relaxation time constant of the asthenosphere, the apparent decay time constant at each observation point is significantly different from place to place and generally much longer than the intrinsic relaxation time constant of the asthenosphere. It is also not rare that the sense of displacement rate is reversed during the viscoelastic relaxation. If we do not bear these points in mind, we may draw false conclusions from observed deformation data. Such complicated transient behavior can be explained mathematically from the characteristics of viscoelastic solution: for an elastic-viscoelastic layered half-space, the viscoelastic solution is expressed as superposition of three decaying components with different relaxation time constants that depend on wavelength.

FP-LAPW calculations of equation of state and elastic properties of α and β phases of tungsten carbide at high pressure

NASA Astrophysics Data System (ADS)

Mishra, Vinayak; Chaturvedi, Shashank

2013-03-01

Tungsten carbide is used in high pressure devices therefore knowledge of its elastic properties and their pressure dependence is of utmost practical importance. In this paper we present first principles results of equation of state and elastic properties of α and β phases of tungsten carbide and compare our results with the available reported experimental results. These calculations have been performed using the FPLAPW method within the framework of density functional theory. Enthalpies of α and β phases of WC have been compared up to 350 GPa to investigate possibility of structural transformation. Density-dependent Grüneisen parameter has been deduced from P-V isotherm using the well-known Slater's formula. High pressure elastic constants of α and β phases of WC have been calculated by applying various distortions to the original crystal structure. The elastic properties such as bulk, shear and Young's moduli have been derived from the calculated elastic constants. Pressure-dependent longitudinal velocity, shear velocity, Debye temperature and melting temperature have been deduced from the elastic properties. These calculated properties are in good agreement with the available experimental results.

The elastic properties of cancerous skin: Poisson's ratio and Young's modulus.

PubMed

Tilleman, Tamara Raveh; Tilleman, Michael M; Neumann, Martino H A

2004-12-01

The physical properties of cancerous skin tissue have rarely been measured in either fresh or frozen skin specimens. Of interest are the elastic properties associated with the skin's ability to deform, i.e., to stretch and compress. Two constants--Young's modulus and Poisson's ratio--represent the basic elastic behavior pattern of any elastic material, including skin. The former relates the applied stress on a specimen to its deformation via Hooke's law, while the latter is the ratio between the axial and lateral strains. To investigate the elastic properties of cancerous skin tissue. For this purpose 23 consecutive cancerous tissue specimens prepared during Mohs micrographic surgery were analyzed. From these specimens we calculated the change in radial length (defined as the radial strain) and the change in tissue thickness (defined as axial strain). Based on the above two strains we determined a Poisson ratio of 0.43 +/- 0.12 and an average Young modulus of 52 KPa. Defining the elastic properties of cancerous skin may become the first step in turning elasticity into a clinical tool. Correlating these constants with the histopathologic features of a cancerous tissue can contribute an additional non-invasive, in vivo and in vitro diagnostic tool.

A full set of langatate high-temperature acoustic wave constants: elastic, piezoelectric, dielectric constants up to 900°C.

PubMed

Davulis, Peter M; da Cunha, Mauricio Pereira

2013-04-01

A full set of langatate (LGT) elastic, dielectric, and piezoelectric constants with their respective temperature coefficients up to 900°C is presented, and the relevance of the dielectric and piezoelectric constants and temperature coefficients are discussed with respect to predicted and measured high-temperature SAW propagation properties. The set of constants allows for high-temperature acoustic wave (AW) propagation studies and device design. The dielectric constants and polarization and conductive losses were extracted by impedance spectroscopy of parallel-plate capacitors. The measured dielectric constants at high temperatures were combined with previously measured LGT expansion coefficients and used to determine the elastic and piezoelectric constants using resonant ultrasound spectroscopy (RUS) measurements at temperatures up to 900°C. The extracted LGT piezoelectric constants and temperature coefficients show that e11 and e14 change by up to 62% and 77%, respectively, for the entire 25°C to 900°C range when compared with room-temperature values. The LGT high-temperature constants and temperature coefficients were verified by comparing measured and predicted phase velocities (vp) and temperature coefficients of delay (TCD) of SAW delay lines fabricated along 6 orientations in the LGT plane (90°, 23°, Ψ) up to 900°C. For the 6 tested orientations, the predicted SAW vp agree within 0.2% of the measured vp on average and the calculated TCD is within 9.6 ppm/°C of the measured value on average over the temperature range of 25°C to 900°C. By including the temperature dependence of both dielectric and piezoelectric constants, the average discrepancies between predicted and measured SAW properties were reduced, on average: 77% for vp, 13% for TCD, and 63% for the turn-over temperatures analyzed.

Temperature-dependent elastic stiffness constants of α- and θ-Al2O3 from first-principles calculations

NASA Astrophysics Data System (ADS)

Shang, Shun-Li; Zhang, Hui; Wang, Yi; Liu, Zi-Kui

2010-09-01

Temperature-dependent elastic stiffness constants (cijs), including both the isothermal and isoentropic ones, have been predicted for rhombohedral α-Al2O3 and monoclinic θ-Al2O3 in terms of a quasistatic approach, i.e., a combination of volume-dependent cijs determined by a first-principles strain versus stress method and direction-dependent thermal expansions obtained by first-principles phonon calculations. A good agreement is observed between the predictions and the available experiments for α-Al2O3, especially for the off-diagonal elastic constants. In addition, the temperature-dependent cijs predicted herein, in particular the ones for metastable θ-Al2O3, enable the stress analysis at elevated temperatures in thermally grown oxides containing α- and θ-Al2O3, which are crucial to understand the failure of thermal barrier coatings in gas-turbine engines.

Fore and aft elastic response characteristics of size 34x9.9, type 7, 14 ply-rated aircraft tires of bias ply, bias belted, and radial belted design. M.S. Thesis - George Washington Univ., Washington, D. C.

NASA Technical Reports Server (NTRS)

Tanner, J. A.

1973-01-01

An investigation was conducted to determine the fore-and-aft elastic response characteristics of aircraft tires of bias ply, bias-belted, and radial-belted design. The investigation consisted of: (1)static and rolling tests, (2)a statistical analysis which related the measured tire elastic characteristics to variations in the vertical load, inflation pressure, braking force and/or tire vertical deflection, and (3) a semi-empirical analysis which related the tire elastic behavior to measured wheel slippage during a steady-state braking. The results of this investigation indicate that the bias-belted tire has the largest spring constant value for most loading conditions and the radial-belted tire has the smallest spring constant value.

Simulation of hydrocephalus condition in infant head

NASA Astrophysics Data System (ADS)

Wijayanti, Erna; Arif, Idam

2014-03-01

Hydrocephalus is a condition of an excessive of cerebrospinal fluid in brain. In this paper, we try to simulate the behavior of hydrocephalus conditions in infant head by using a hydro-elastic model which is combined with orthotropic elastic skull and with the addition of suture that divide the skull into two lobes. The model then gives predictions for the case of stenosis aqueduct by varying the cerebral aqueduct diameter, time constant and brain elastic modulus. The hydrocephalus condition which is shown by the significant value of ventricle displacement, as the result shows, is occurred when the aqueduct is as resistant as brain parenchyma for the flow of cerebrospinal fluid. The decrement of brain elastic modulus causes brain parenchyma displacement value approach ventricle displacement value. The smaller of time constant value causes the smaller value of ventricle displacement.

Elastic fiber-mediated enthesis in the human middle ear.

PubMed

Kawase, Tetsuaki; Shibata, Shunichi; Katori, Yukio; Ohtsuka, Aiji; Murakami, Gen; Fujimiya, Mineko

2012-10-01

Adaptation to constant vibration (acoustic oscillation) is likely to confer a specific morphology at the bone-tendon and bone-ligament interfaces at the ear ossicles, which therefore represent an exciting target of enthesis research. We histologically examined (i) the bone attachments of the tensor tympani and stapedius muscles and (ii) the annular ligament of the incudostapedial joint obtained from seven elderly donated cadavers. Notably, both aldehyde-fuchsin and elastic-Masson staining demonstrated that the major fibrous component of the entheses was not collagen fibers but mature elastic fibers. The positive controls for elastic fiber staining were the arterial wall elastic laminae included in the temporal bone materials. The elastic fibers were inserted deeply into the type II collagen-poor fibrocartilage covering the ear ossicles. The muscle tendons were composed of an outer thin layer of collagen fibers and an inner thick core of elastic fibers near the malleus or stapes. In the unique elastic fiber-mediated entheses, hyaluronan, versican and fibronectin were expressed strongly along the elastic fibers. The hyaluronan seemed to act as a friction-reducing lubricant for the elastic fibers. Aggrecan was labeled strongly in a disk- or plica-like fibrous mass on the inner side of the elastic fiber-rich ligament, possibly due to compression stress from the ligament. Tenascin-c was not evident in the entheses. The elastic fiber-mediated entheses appeared resistant to tissue destruction in an environment exposed to constant vibration. The morphology was unlikely to be the result of age-related degeneration. © 2012 The Authors Journal of Anatomy © 2012 Anatomical Society.

Significance of third-order elasticity for determination of the pressure coefficient of the light emission in strained quantum wells

NASA Astrophysics Data System (ADS)

Łepkowski, S. P.

2008-10-01

We investigate the contribution arising from third-order elasticity to the pressure coefficient of the light emission (dEE/dP) in strained zinc-blende InGaAs/GaAs and InGaN/GaN quantum wells (QWs) grown in a (001) direction. In the framework of the third-order elasticity theory, we develop a model of pressure tuning of strains in these structures, which is then used to determine the coefficient dEE/dP . In the calculations of dEE/dP , we use a consistent set of the second- and third-order elastic constants which has been obtained from ab initio calculations. Our results indicate that the usage of third-order elasticity leads to significant reduction in dEE/dP in strained (001)-oriented InGaAs/GaAs and InGaN/GaN QWs, in comparison to the values of dEE/dP obtained by using the linear theory of elasticity. In the case of InGaAs/GaAs QWs, the values of dEE/dP calculated using third-order elasticity are in reasonable agreement with experimental data. For InGaN/GaN QWs, better agreement between theoretical and experimental values of dEE/dP is obtained when instead of third-order elasticity, pressure dependence of the second-order elastic constants is taken into account.

A novel pressure variation study on electronic structure, mechanical stability and thermodynamic properties of potassium based fluoroperovskite

NASA Astrophysics Data System (ADS)

Erum, Nazia; Azhar Iqbal, Muhammad

2017-09-01

The effect of pressure variation on stability, structural parameters, elastic constants, mechanical, electronic and thermodynamic properties of cubic SrKF3 fluoroperovskite have been investigated by using the full-potential linearized augmented plane wave (FP-LAPW) method combined with Quasi-harmonic Debye model in which the phonon effects are considered. The calculated lattice parameters show a prominent decrease in lattice constant and bonds length with the increase in pressure. The application of pressure from 0 to 25 GPa reveals a predominant characteristic associated with widening of bandgap with GGA and GGA plus Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. The influence of pressure on elastic constants and their related mechanical parameters have been discussed in detail. Apart of linear dependence of elastic coefficients, transition from brittle to ductile behavior is also observed at elevated pressure ranges. We have successfully computed variation of lattice constant, volume expansion, bulk modulus, Debye temperature and specific heat capacities at pressure and temperature in the range of 0-25 GPa and 0-600 K.

Measurement of high temperature elastic moduli of an 18Cr-9Ni-2.95 Cu-0.58 Nb-0.1C (Wt %) austenitic stainless steel

NASA Astrophysics Data System (ADS)

Tripathy, Haraprasanna; Hajra, Raj Narayan; Sudha, C.; Raju, S.; Saibaba, Saroja

2018-04-01

The Young's modulus (E) and Shear modulus (G) of an indigenously developed 18Cr-9Ni-0.1C-2.95 Cu-0.58Nb (wt %) austenitic stainless steel has been evaluated in the temperature range 298 K to 1273 K (25 °C to 1000 °C), using Impulse excitation technique (IET). The Bulk modulus (K) and the poison's ratio have been estimated from the measured values of E and G. It is observed that the elastic constants (E, G and K) are found to decrease in a nonlinear fashion with increase in temperature. The Cu precipitation is found to influence the elastic moduli of the steel in the cooling cycle. The observed elastic moduli are fitted to 3rd order polynomial equations in order to describe the temperature dependence of E, G, K moduli in the temperature range 298-1273 K (25 °C to 1000 °C). The room temperature values of E,G and K moduli is found to be 207, 82 and 145 GPa respectively for the present steel.

First observation of a negative elastic constant in intermediate valent TmSe

NASA Astrophysics Data System (ADS)

Boppart, H.; Treindl, A.; Wachter, P.; Roth, S.

1980-08-01

The sound velocities v L, v T 1 and v T 2 have been measured at 15 MHz on Tm 3+0.87Se and Tm 2.8+0.99Se between 300 K and 4.2 K and the elastic constants c ij have been derived. In intermediate valent Tm 2.8+0.99Se c 12 turned out to be negative. This sign is interpreted as being typical for intermediate valent compounds. Also for the first time experimental evidence is given for crystal field effects in Tm 3+0.87Se. Strong elastic nonlinearities are observed in intermediate valent Tm 2.8+0.99Se with uniaxial pressure.

An ab-initio investigation on SrLa intermetallic compound

NASA Astrophysics Data System (ADS)

Kumar, S. Ramesh; Jaiganesh, G.; Jayalakshmi, V.

2018-05-01

The electronic, elastic and thermodynamic property of CsCl-type SrLa are investigated through density functional theory. The energy-volume relation for this compound has been obtained. The band structure, density of states and charge density in (110) plane are also examined. The elastic constants (C11, C12 and C44) of SrLa is computed, then, using these elastic constants, the bulk moduli, shear moduli, Young's moduli and Poisson's ratio are also derived. The calculated results showed that CsCl-type SrLa is ductile at ambient conditions. The thermodynamic quantities such as free energy, entropy and heat capacity as a function of temperature are estimated and the results obtained are discussed.

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

PubMed

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

2014-03-01

The complexity and heterogeneity of bone tissue require a multiscale modeling to understand its mechanical behavior and its remodeling mechanisms. In this paper, a novel multiscale hierarchical approach including microfibril scale based on hybrid neural network (NN) computation and homogenization equations was developed to link nanoscopic and macroscopic scales to estimate the elastic properties of human cortical bone. The multiscale model is divided into three main phases: (i) in step 0, the elastic constants of collagen-water and mineral-water composites are calculated by averaging the upper and lower Hill bounds; (ii) in step 1, the elastic properties of the collagen microfibril are computed using a trained NN simulation. Finite element calculation is performed at nanoscopic levels to provide a database to train an in-house NN program; and (iii) in steps 2-10 from fibril to continuum cortical bone tissue, homogenization equations are used to perform the computation at the higher scales. The NN outputs (elastic properties of the microfibril) are used as inputs for the homogenization computation to determine the properties of mineralized collagen fibril. The mechanical and geometrical properties of bone constituents (mineral, collagen, and cross-links) as well as the porosity were taken in consideration. This paper aims to predict analytically the effective elastic constants of cortical bone by modeling its elastic response at these different scales, ranging from the nanostructural to mesostructural levels. Our findings of the lowest scale's output were well integrated with the other higher levels and serve as inputs for the next higher scale modeling. Good agreement was obtained between our predicted results and literature data. Copyright © 2013 John Wiley & Sons, Ltd.

Estimation of parameters of constant elasticity of substitution production functional model

NASA Astrophysics Data System (ADS)

Mahaboob, B.; Venkateswarlu, B.; Sankar, J. Ravi

2017-11-01

Nonlinear model building has become an increasing important powerful tool in mathematical economics. In recent years the popularity of applications of nonlinear models has dramatically been rising up. Several researchers in econometrics are very often interested in the inferential aspects of nonlinear regression models [6]. The present research study gives a distinct method of estimation of more complicated and highly nonlinear model viz Constant Elasticity of Substitution (CES) production functional model. Henningen et.al [5] proposed three solutions to avoid serious problems when estimating CES functions in 2012 and they are i) removing discontinuities by using the limits of the CES function and its derivative. ii) Circumventing large rounding errors by local linear approximations iii) Handling ill-behaved objective functions by a multi-dimensional grid search. Joel Chongeh et.al [7] discussed the estimation of the impact of capital and labour inputs to the gris output agri-food products using constant elasticity of substitution production function in Tanzanian context. Pol Antras [8] presented new estimates of the elasticity of substitution between capital and labour using data from the private sector of the U.S. economy for the period 1948-1998.

Ab Initio Prediction of the Structural, Electronic, Elastic, and Thermoelectric Properties of Half-Heusler Ternary Compounds TiIrX (X = As and Sb)

NASA Astrophysics Data System (ADS)

Chibani, S.; Arbouche, O.; Zemouli, M.; Amara, K.; Benallou, Y.; Azzaz, Y.; Belgoumène, B.; Bentayeb, A.; Ameri, M.

2018-01-01

The structural, electronic, elastic, and thermoelectric properties of TiIrX (X = As and Sb) half-Heusler compounds with 18 valence electrons were studied using density functional theory. The generalized gradient approximation of Perdew-Burke and Ernzerhof used for calculation of the structural parameters and elastic properties of TiIrAs and TiIrSb denotes that the computed lattice constants were in excellent agreement with the available experimental data and previous theoretical works. Furthermore, the calculated elastic constants for both compounds satisfy the Born criteria indicating their mechanical stabilities. The modified Becke-Johnson potential (TB-mBJ) was used to provide a better description of the electronic structures, which indicate that both compounds are narrow-gap semiconductors. Additionally, the investigations of thermoelectric performance were carried out using the results of ab initio band-structure calculations and the semi-classical Boltzmann theory within the constant relaxation time approximations. The predicted values of the figure of merit ZT e are close to unity at room temperature. This reveals that TiIrAs and TiIrSb compounds are excellent candidates for practical applications in the thermoelectric devices.

Theoretical study on elastic properties of Si2N2O by ab initio calculation

NASA Astrophysics Data System (ADS)

Tsuboi, Seiya; Adachi, Kanta; Nagakubo, Akira; Ogi, Hirotsugu

2018-07-01

The elastic constants of crystalline Si2N2O remain unknown since it was discovered in the 1960s. We determine the nine independent elastic constants of orthorhombic Si2N2O by ab initio calculations. We applied various deformation modes with strains up to ±0.01 to a unit cell, calculated the energy-strain relationships, and deduced all the elastic constants by fitting the harmonic-oscillation function. Our results are as follows: C 11 = 311.1, C 22 = 238.5, C 33 = 317.9, C 44 = 136.1, C 55 = 57.6, C 66 = 73.9, C 12 = 79.6, C 13 = 52.2, and C 23 = 33.6 GPa. Despite the different crystal structures and symmetries, the direction-over-averaged Young’s modulus of Si2N2O is well explained by the nitrogen content and Young’s moduli of α-SiO2 and β-Si3N4. The anisotropy of sound-wave velocity was investigated, and its origin was examined on the basis of the crystallographic structure. The quasi-isotropic plane for the longitudinal-wave propagation was identified.

Electronic structure, elasticity, bonding features and mechanical behaviour of zinc intermetallics: A DFT study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fatima, Bushra, E-mail: bushrafatima25@gmail.com; Acharya, Nikita; Sanyal, Sankar P.

2016-05-06

The structural stability, electronic structure, elastic and mechanical properties of TiZn and ZrZn intermetallics have been studied using ab-initio full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation for exchange and correlation potentials. The various structural parameters, such as lattice constant (a{sub 0}), bulk modulus (B), and its pressure derivative (B’) are analysed and compared. The investigation of elastic constants affirm that both TiZn and ZrZn are elastically stable in CsCl (B{sub 2} phase) structure. The electronic structures have been analysed quantitatively from the band structure which reveals the metallic nature of these compounds. To better illustratemore » the nature of bonding and charge transfer, we have also studied the Fermi surfaces. The three well known criterion of ductility namely Pugh’s rule, Cauchy’s pressure and Frantsevich rule elucidate the ductile nature of these compounds.« less

Mathematical modeling of spinning elastic bodies for modal analysis.

NASA Technical Reports Server (NTRS)

Likins, P. W.; Barbera, F. J.; Baddeley, V.

1973-01-01

The problem of modal analysis of an elastic appendage on a rotating base is examined to establish the relative advantages of various mathematical models of elastic structures and to extract general inferences concerning the magnitude and character of the influence of spin on the natural frequencies and mode shapes of rotating structures. In realization of the first objective, it is concluded that except for a small class of very special cases the elastic continuum model is devoid of useful results, while for constant nominal spin rate the distributed-mass finite-element model is quite generally tractable, since in the latter case the governing equations are always linear, constant-coefficient, ordinary differential equations. Although with both of these alternatives the details of the formulation generally obscure the essence of the problem and permit very little engineering insight to be gained without extensive computation, this difficulty is not encountered when dealing with simple concentrated mass models.

Climate change impacts on crop yield: evidence from China.

PubMed

Wei, Taoyuan; Cherry, Todd L; Glomrød, Solveig; Zhang, Tianyi

2014-11-15

When estimating climate change impact on crop yield, a typical assumption is constant elasticity of yield with respect to a climate variable even though the elasticity may be inconstant. After estimating both constant and inconstant elasticities with respect to temperature and precipitation based on provincial panel data in China 1980-2008, our results show that during that period, the temperature change contributes positively to total yield growth by 1.3% and 0.4% for wheat and rice, respectively, but negatively by 12% for maize. The impacts of precipitation change are marginal. We also compare our estimates with other studies and highlight the implications of the inconstant elasticities for crop yield, harvest and food security. We conclude that climate change impact on crop yield would not be an issue in China if positive impacts of other socio-economic factors continue in the future. Copyright © 2014 Elsevier B.V. All rights reserved.

Single-Crystal Elasticity of Iron-Bearing Bridgemanite in the Lower Mantle

NASA Astrophysics Data System (ADS)

Yang, J.; Lin, J. F.; Okuchi, T.; Tomioka, N.

2014-12-01

Bridgemanite is believed to be the most abundant mineral in the Earth's lower mantle. Knowing its elasticity is thus critical to our understanding of the lower-mantle seismology, geochemistry, and geophysics. Although single-crystal elasticity and elastic anisotropy of bridgemanite under high P-T have been reported theoretically, experimental results on the single-crystal elasticity of bridgemanite remain very limited[1, 2]. Published experimental results have been limited to ambient conditions due to technical challenges in high-pressure measurements to permit derivations of all nine elastic constants (C11, C22, C33, C44, C55, C66, C12, C23 and C13) of the crystal. A thorough understanding of the elastic properties of bridgemanite at relevant lower mantle conditions, as well as the effects of iron, is essentially needed to interpret seismic observations and to construct a reliable mineralogical and geochemical model. In order to solve all individual elastic constants of bridgemanite at high pressures via Christoffel's equations, we employed both Brillouin Light Scattering (BLS) which is sensitive to shear wave velocities (Vs) up to megabars, and Impulsive Stimulated Light Scattering (ISS) which is sensitive to compressional wave velocities (VP) at lower mantle pressures. The BLS and ISS allowed us to measure VP and VS sound velocities as a function of the azimuthal angle from two orientated single-crystal iron bearing bridgemanite platelets under lower mantle pressures. These experimental results permit the derivations of full elastic constants of single-crystal bridgemanite that are consistent with previous theoretical studies [3, 4]. We will discuss how pressure-temperature, as well as the iron spin/valence states and minor element aluminum, affect the single-crystal elasticity and seismic parameters (e.g. VP and VS anisotropy AVP, AVS) at lower mantle conditions. Within a pyrolite mineralogical model, these results are extrapolated using a thermoelastic model and compared with seismic profiles of the lower mantle to better understand the deep-mantle geophysics and geochemistry. References: Sinogeikon,S.V., et al., 2004, GRL 31. Yeganeh-Haeri, A., et al., 1994, PEPI 87. Wentzcovitch, R.M., et al., 1998, EPSL 164. Oganov, A.R., et al., 2001, Nature 411.

Elastic anomalies in Fe-Cr alloys

NASA Astrophysics Data System (ADS)

Zhang, Hualei; Wang, Guisheng; Punkkinen, Marko P. J.; Hertzman, Staffan; Johansson, Börje; Vitos, Levente

2013-05-01

Using ab initio alloy theory, we determine the elastic parameters of ferromagnetic and paramagnetic Fe1-cCrc (0 ≤ c ≤ 1) alloys in the body centered cubic crystallographic phase. Comparison with the experimental data demonstrates that the employed theoretical approach accurately describes the observed composition dependence of the polycrystalline elastic moduli. The predicted single-crystal elastic constants follow complex anomalous trends, which are shown to originate from the interplay between magnetic and chemical effects. The nonmonotonic composition dependence of the elastic parameters has marked implications on the micro-mechanical properties of ferrite stainless steels.

Dynamic Deformation of Vortex Lattice in the Hollow Superconducting YBaCuO Cylinder

NASA Astrophysics Data System (ADS)

Babayan, V. H.; Ayvazyan, M. T.; Kteyan, A. A.; Vardanyan, R. A.

The elastic and viscous properties of vortex lattice in ceramic YBaCuO are studied by the measurements of ac response U in the cavity of the hollow cylinder placed in the magnetic field H aligned along the cylinder's axis. It is observed that the U(H) dependence is reaching saturation with increase of magnetic field. We interpret this effect by nonlocality of the vortex lattice elastic constants. Based on the analysis of the response dependence on excitation frequency, we conclude that vortex lattice deformation vector decreases at higher frequencies. The amplitude-frequency characteristics of the response indicate that vortices perform overdamped oscillations. The estimated damping coefficient value exceeds the evaluation by Bardeen-Stephen theory.

Design of tubesheet for U-tube heat exchangers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paliwal, D.N.; Saxena, R.M.

1993-02-01

Thorough analysis of two-side integral tubesheet of U-tube heat exchanger is carried out, using Panc's component theory of plates. Effects of solid annular rim and interaction between tubesheet and shell/channel are considered. A design procedure based on foregoing analysis is proposed. Fictive elastic constants due to Osweiller, as well as effective elastic constants due to Slot and O'Donnell, are employed. Deformations, internal forces and primary stress intensities are evaluated in both pitch and diagonal directions. Stress category concept of ASME Sect. VIII Div. 2 is used. Design thickness obtained by this method is compared with the thicknesses calculated, using ASMEmore » Sect. VIII Div. 1, TEMA and BS-5500. This method enables us to calculate stresses in shell and channel in the junction region as well. Present analysis and design procedure thoroughly investigates the tubesheet behavior and leads to a thinner tubesheet. It is concluded that though all the codes based on Gardner's work provide safe and efficient design rules, and lie on firm footing, still there is further scope for reducing the design thickness of tubesheet by about ten percent.« less

Carotid artery stiffness evaluated early by wave intensity in normal left ventricular function in post-radiotherapy patients with nasopharyngeal carcinoma.

PubMed

Zhang, Zhuo; Luo, Runlan; Tan, Bijun; Qian, Jing; Duan, Yanfang; Wang, Nan; Li, Guangsen

2018-04-01

This study aims to assess carotid elasticity early in normal left ventricular function in post-radiotherapy patients with nasopharyngeal carcinoma (NPC) by wave intensity. Sixty-seven post-radiotherapy patients all with normal left ventricular function were classified into group NPC1 and group NPC2 based on their carotid intima-media thickness. Thirty age- and sex-matched NPC patients without any history of irradiation and chemotherapy were included as a control group. Carotid parameters, including stiffness constant (β), pressure-strain elastic modulus (Ep), arterial compliance (AC), stiffness constant pulse wave velocity (PWVβ), and wave intensity pulse wave velocity (PWVWI) were measured. There were no significant differences in conventional echocardiographic variables among the three groups. In comparison with the control group, β, Ep, PWVβ, and PWVWI were significantly increased, while AC was significantly decreased in the NPC1 and NPC2 groups, and there were differences between the NPC1 group and NPC2 group (all P < 0.05). This study suggested that carotid artery stiffness increased with reduced carotid compliance in post-RT with NPC.

How to characterize a nonlinear elastic material? A review on nonlinear constitutive parameters in isotropic finite elasticity

PubMed Central

2017-01-01

The mechanical response of a homogeneous isotropic linearly elastic material can be fully characterized by two physical constants, the Young’s modulus and the Poisson’s ratio, which can be derived by simple tensile experiments. Any other linear elastic parameter can be obtained from these two constants. By contrast, the physical responses of nonlinear elastic materials are generally described by parameters which are scalar functions of the deformation, and their particular choice is not always clear. Here, we review in a unified theoretical framework several nonlinear constitutive parameters, including the stretch modulus, the shear modulus and the Poisson function, that are defined for homogeneous isotropic hyperelastic materials and are measurable under axial or shear experimental tests. These parameters represent changes in the material properties as the deformation progresses, and can be identified with their linear equivalent when the deformations are small. Universal relations between certain of these parameters are further established, and then used to quantify nonlinear elastic responses in several hyperelastic models for rubber, soft tissue and foams. The general parameters identified here can also be viewed as a flexible basis for coupling elastic responses in multi-scale processes, where an open challenge is the transfer of meaningful information between scales. PMID:29225507

Algebraic aspects of evolution partial differential equation arising in the study of constant elasticity of variance model from financial mathematics

NASA Astrophysics Data System (ADS)

Motsepa, Tanki; Aziz, Taha; Fatima, Aeeman; Khalique, Chaudry Masood

2018-03-01

The optimal investment-consumption problem under the constant elasticity of variance (CEV) model is investigated from the perspective of Lie group analysis. The Lie symmetry group of the evolution partial differential equation describing the CEV model is derived. The Lie point symmetries are then used to obtain an exact solution of the governing model satisfying a standard terminal condition. Finally, we construct conservation laws of the underlying equation using the general theorem on conservation laws.

Concentration Dependent Physical Properties of Ge1-xSnx Solid Solution

NASA Astrophysics Data System (ADS)

Jivani, A. R.; Jani, A. R.

2011-12-01

Our own proposed potential is used to investigate few physical properties like total energy, bulk modulus, pressure derivative of bulk modulus, elastic constants, pressure derivative of elastic constants, Poisson's ratio and Young's modulus of Ge1-xSnx solid solution with x is atomic concentration of α-Sn. The potential combines linear plus quadratic types of electron-ion interaction. First time screening function proposed by Sarkar et al is used to investigate the properties of the Ge-Sn solid solution system.

Quasi-periodic oscillations in superfluid, relativistic magnetars with nuclear pasta phases

NASA Astrophysics Data System (ADS)

Passamonti, Andrea; Pons, José A.

2016-12-01

We study the torsional magneto-elastic oscillations of relativistic superfluid magnetars and explore the effects of a phase transition in the crust-core interface (nuclear pasta) which results in a weaker elastic response. Exploring various models with different extension of nuclear pasta phases, we find that the differences in the oscillation spectrum present in purely elastic modes (weak magnetic field) are smeared out with increasing strength of the magnetic field. For magnetar conditions, the main characteristic and features of models without nuclear pasta are preserved. We find, in general, two classes of magneto-elastic oscillations which exhibit a different oscillation pattern. For Bp < 4 × 1014 G, the spectrum is characterized by the turning points and edges of the continuum which are mostly confined into the star's core, and have no constant phase. Increasing the magnetic field, we find, in addition, several magneto-elastic oscillations which reach the surface and have an angular structure similar to crustal modes. These global magneto-elastic oscillations show a constant phase and become dominant when Bp > 5 × 1014 G. We do not find any evidence of fundamental pure crustal modes in the low-frequency range (below 200 Hz) for Bp ≥ 1014 G.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Chenju; Yan, Xiaozhen; Institute of Atomic and Molecular Sciences, Sichuan University, Chengdu 610065

2014-09-14

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 thatmore » 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.« less

Elasticity of superhydrous phase, B, Mg10Si3O14(OH)4

NASA Astrophysics Data System (ADS)

Mookherjee, Mainak; Tsuchiya, Jun

2015-01-01

We have used first principles simulation based on density functional theory to calculate the equation of state and elasticity of superhydrous phase B, Mg10Si3O14(OH)4. The pressure-volume results for superhydrous phase B is well represented by a third order Birch-Murnaghan formulation, with K0 = 161.8 (±0.2) GPa and K0‧ = 4.4 (±0.01). The calculated full elastic tensor at 0 GPa is in good agreement with Brillouin scattering results, with the compressional elastic constants: c11 = 329.5 GPa, c22 = 294.9 GPa, c33 = 306.8 GPa, the shear elastic constants - c44 = 99.8 GPa, c55 = 98 GPa, and c66 = 99 GPa; the off-diagonal elastic constants c12 = 82.5 GPa, c13 = 84.6 GPa, and c23 = 98.7 GPa. At the depths corresponding to the mantle transition zone, the aggregate sound wave velocities for superhydrous phase B is slower compared to dry ringwoodite which is the dominant mineral phase. However, hydrous ringwoodite bulk sound velocities are comparable to that of superhydrous phase B. Majoritic garnet, the second most abundant mineral in the transition zone, has bulk sound wave velocities slower than superhydrous phase B. An assemblage consisting of hydrous ringwoodite, superhydrous phase B, and majorite garnet could account for the low velocities observed in certain subduction zone settings at depths corresponding to the base of the transition zone and upper mantle. Superhydrous phase B exhibits moderate single-crystal elastic anisotropy with AVP ∼ 3% and AVS ∼ 5% at the base of the transition zone. Single-crystal elastic anisotropy of other dense hydrous magnesium silicate phases phase such as hydrous phase D is significantly larger at these conditions and might play a major role in explaining the observed mid mantle seismic anisotropy.

A Proposed Method for the Computer-aided Discovery and Design of High-strength, Ductile Metals

NASA Astrophysics Data System (ADS)

Winter, Ian Stewart

Gum Metal, a class of Ti-Nb alloys, has generated a great deal of interest in the metallurgical community since its development in 2003. These alloys display numerous novel and anomalous properties, many of which only occur after severe plastic deformation has been incurred on the material. Such properties include: super-elasticity, super-coldworkability, Invar and Elinvar behavior, high ductility, as well as high strength. The high strength of gum metal has generated particular enthusiasm as it is on the order of the predicted ideal strength of the material. Many of the properties of gum metal appear to be a direct result of tuning the composition to be near an elastic instability resulting in a high degree of elastic anisotropy. This presents an opportunity for the computer-aided discovery and design of structural materials as the ideal strength and elastic anisotropy can be approximated from the elastic constants. Two approaches are described for searching for this high ansitropy. In the first, The possibility of forming gum metal in Mg is explored by tuning the material to be near the BCC-HCP transition either by pressure or alloying with Li. The second makes use of the Materials Project's elastic constants database, which contains thousands of ordered compounds, in order to screen for gum metal candidates. By defining an elastic anisotropy parameter consistent with the behavior of gum metal and calculating it for all cubic materials in the elastic constants database several gum metal candidates are found. In order to better assess their candidacy information on the intrinsic ductility of these materials is necessary. A method is proposed for calculating the ideal strength and deformation mode of a solid solution from first-principles. In order to validate this method the intrinsic ductile-to-brittle transition composition of Ti-V systems is calculated. It is further shown that this method can be applied to the calculation of an ideal tensile yield surface.

Piezo-optic tensor of crystals from quantum-mechanical calculations.

PubMed

Erba, A; Ruggiero, M T; Korter, T M; Dovesi, R

2015-10-14

An automated computational strategy is devised for the ab initio determination of the full fourth-rank piezo-optic tensor of crystals belonging to any space group of symmetry. Elastic stiffness and compliance constants are obtained as numerical first derivatives of analytical energy gradients with respect to the strain and photo-elastic constants as numerical derivatives of analytical dielectric tensor components, which are in turn computed through a Coupled-Perturbed-Hartree-Fock/Kohn-Sham approach, with respect to the strain. Both point and translation symmetries are exploited at all steps of the calculation, within the framework of periodic boundary conditions. The scheme is applied to the determination of the full set of ten symmetry-independent piezo-optic constants of calcium tungstate CaWO4, which have recently been experimentally reconstructed. Present calculations unambiguously determine the absolute sign (positive) of the π61 constant, confirm the reliability of 6 out of 10 experimentally determined constants and provide new, more accurate values for the remaining 4 constants.

Piezo-optic tensor of crystals from quantum-mechanical calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Erba, A., E-mail: alessandro.erba@unito.it; Dovesi, R.; Ruggiero, M. T.

2015-10-14

An automated computational strategy is devised for the ab initio determination of the full fourth-rank piezo-optic tensor of crystals belonging to any space group of symmetry. Elastic stiffness and compliance constants are obtained as numerical first derivatives of analytical energy gradients with respect to the strain and photo-elastic constants as numerical derivatives of analytical dielectric tensor components, which are in turn computed through a Coupled-Perturbed-Hartree-Fock/Kohn-Sham approach, with respect to the strain. Both point and translation symmetries are exploited at all steps of the calculation, within the framework of periodic boundary conditions. The scheme is applied to the determination of themore » full set of ten symmetry-independent piezo-optic constants of calcium tungstate CaWO{sub 4}, which have recently been experimentally reconstructed. Present calculations unambiguously determine the absolute sign (positive) of the π{sub 61} constant, confirm the reliability of 6 out of 10 experimentally determined constants and provide new, more accurate values for the remaining 4 constants.« less

Comparison between the basic least squares and the Bayesian approach for elastic constants identification

NASA Astrophysics Data System (ADS)

Gogu, C.; Haftka, R.; LeRiche, R.; Molimard, J.; Vautrin, A.; Sankar, B.

2008-11-01

The basic formulation of the least squares method, based on the L2 norm of the misfit, is still widely used today for identifying elastic material properties from experimental data. An alternative statistical approach is the Bayesian method. We seek here situations with significant difference between the material properties found by the two methods. For a simple three bar truss example we illustrate three such situations in which the Bayesian approach leads to more accurate results: different magnitude of the measurements, different uncertainty in the measurements and correlation among measurements. When all three effects add up, the Bayesian approach can have a large advantage. We then compared the two methods for identification of elastic constants from plate vibration natural frequencies.

AB INITIO STUDY OF PHONON DISPERSION AND ELASTIC PROPERTIES OF L12 INTERMETALLICS Ti3Al AND Y3Al

NASA Astrophysics Data System (ADS)

Arikan, N.; Ersen, M.; Ocak, H. Y.; Iyigör, A.; Candan, A.; UǦUR, Ş.; UǦUR, G.; Khenata, R.; Varshney, D.

2013-12-01

In this paper, the structural, elastic and phonon properties of Ti3Al and Y3Al in L12(Cu3Al) phase are studied by performing first-principles calculations within the generalized gradient approximation. The calculated lattice constants, static bulk moduli, first-order pressure derivative of bulk moduli and elastic constants for both compounds are reported. The phonon dispersion curves along several high-symmetry lines at the Brillouin zone, together with the corresponding phonon density of states, are determined using the first-principles linear-response approach of the density functional perturbation theory. Temperature variations of specific heat in the range of 0-500 K are obtained using the quasi-harmonic model.

Vibrational and elastic properties of silicate spinels A2SiO4 (A = Mg, Fe, Ni, and Co)

NASA Astrophysics Data System (ADS)

Kushwaha, A. K.; Ma, C.-G.; Brik, M. G.; Akbudak, S.

2018-06-01

A six-parameter bond-bending force constant model is used to calculate the zone-center (Γ = 0) Raman and infrared phonon mode frequencies, elastic constants and related properties, the Debye temperatures, and sound velocities along high-symmetry directions for A2SiO4 (A = Mg, Fe, Ni, and Co) spinels. The main outcomes of the calculations are that the interactions between Si and O atoms (first-neighbor interaction) are stronger than those between A and Oatoms (A = Mg, Fe, Ni, and Co) (second-neighbor interaction). The elastic constants C11, C12, and C44 decrease in the order Mg > Fe > Ni > Co. The calculated bulk modulus, Poisson's ratio, and anisotropy decrease in the sequence Fe2SiO4 → Ni2SiO4 → Co2SiO4 → Mg2SiO4. On comparison, we find overall good agreement with the available experimental and previously calculated data.

A parametric analysis of waves propagating in a porous solid saturated by a three-phase fluid.

PubMed

Santos, Juan E; Savioli, Gabriela B

2015-11-01

This paper presents an analysis of a model for the propagation of waves in a poroelastic solid saturated by a three-phase viscous, compressible fluid. The constitutive relations and the equations of motion are stated first. Then a plane wave analysis determines the phase velocities and attenuation coefficients of the four compressional waves and one shear wave that propagate in this type of medium. A procedure to compute the elastic constants in the constitutive relations is defined next. Assuming the knowledge of the shear modulus of the dry matrix, the other elastic constants in the stress-strain relations are determined by employing ideal gedanken experiments generalizing those of Biot's theory for single-phase fluids. These experiments yield expressions for the elastic constants in terms of the properties of the individual solid and fluids phases. Finally the phase velocities and attenuation coefficients of all waves are computed for a sample of Berea sandstone saturated by oil, gas, and water.

Self-assembly of suspended graphene wrinkles with high pre-tension and elastic property

NASA Astrophysics Data System (ADS)

Yang, Liusi; Niu, Tianxiao; Zhang, Hui; Xu, Wenjing; Zou, Mingchu; Xu, Lu; Cao, Guoxin; Cao, Anyuan

2017-12-01

Wrinkles exist universally in graphene-based structures, yet their controlled fabrication remains challenging; most graphene wrinkles have been produced either in attachment to elastic substrates or limited in small single sheets. Here, we utilize the phenomenon of gel-cracking to generate uniaxial strains locally on solution-precipitated graphene oxide (GO) sheets, thus creating suspended and aligned wrinkles over the trenches between cracked TiO2 islands. In particular, those GO wrinkles are subjected to a high pre-tension, which is important for making stable suspended configuration, as confirmed by theoretical calculations based on the wrinkle geometry and measured spring constants, respectively. As a result, in situ atomic force microscope indentation reveals elastic deformation with tunable spring constants depending on the gap width. We further obtain chemically reduced GO wrinkles with enhanced spring constants and reversible behavior after 1000 indentation cycles. Our suspended and aligned graphene wrinkles have potential applications in many areas such as sensors, actuators, and micro/nano electromechanical systems.

Elastic properties of porous low-k dielectric nano-films

NASA Astrophysics Data System (ADS)

Zhou, W.; Bailey, S.; Sooryakumar, R.; King, S.; Xu, G.; Mays, E.; Ege, C.; Bielefeld, J.

2011-08-01

Low-k dielectrics have predominantly replaced silicon dioxide as the interlayer dielectric for interconnects in state of the art integrated circuits. In order to further reduce interconnect RC delays, additional reductions in k for these low-k materials are being pursued via the introduction of controlled levels of porosity. The main challenge for such dielectrics is the substantial reduction in elastic properties that accompanies the increased pore volume. We report on Brillouin light scattering measurements used to determine the elastic properties of these films at thicknesses well below 200 nm, which are pertinent to their introduction into present ultralarge scale integrated technology. The observation of longitudinal and transverse standing wave acoustic resonances and their transformation into traveling waves with finite in-plane wave vectors provides for a direct non-destructive measure of the principal elastic constants that characterize the elastic properties of these porous nano-scale films. The mode dispersion further confirms that for porosity levels of up to 25%, the reduction in the dielectric constant does not result in severe degradation in the Young's modulus and Poisson's ratio of the films.

First-principles calculations of the electronic, vibrational, and elastic properties of the magnetic laminate Mn₂GaC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thore, A., E-mail: andth@ifm.liu.se; Dahlqvist, M., E-mail: madah@ifm.liu.se, E-mail: bjoal@ifm.liu.se, E-mail: johro@ifm.liu.se; Alling, B., E-mail: madah@ifm.liu.se, E-mail: bjoal@ifm.liu.se, E-mail: johro@ifm.liu.se

2014-09-14

In this paper, we report the by first-principles predicted properties of the recently discovered magnetic MAX phase Mn₂GaC. The electronic band structure and vibrational dispersion relation, as well as the electronic and vibrational density of states, have been calculated. The band structure close to the Fermi level indicates anisotropy with respect to electrical conductivity, while the distribution of the electronic and vibrational states for both Mn and Ga depend on the chosen relative orientation of the Mn spins across the Ga sheets in the Mn–Ga–Mn trilayers. In addition, the elastic properties have been calculated, and from the five elastic constants,more » the Voigt bulk modulus is determined to be 157 GPa, the Voigt shear modulus 93 GPa, and the Young's modulus 233 GPa. Furthermore, Mn₂GaC is found relatively elastically isotropic, with a compression anisotropy factor of 0.97, and shear anisotropy factors of 0.9 and 1, respectively. The Poisson's ratio is 0.25. Evaluated elastic properties are compared to theoretical and experimental results for M₂AC phases where M = Ti, V, Cr, Zr, Nb, Ta, and A = Al, S, Ge, In, Sn.« less

High-Temperature Electromechanical Characterization of AlN Single Crystals.

PubMed

Kim, Taeyang; Kim, Jinwook; Dalmau, Rafael; Schlesser, Raoul; Preble, Edward; Jiang, Xiaoning

2015-10-01

Hexagonal AlN is a non-ferroelectric material and does not have any phase transition up to its melting point (>2000°C), which indicates the potential use of AlN for high-temperature sensing. In this work, the elastic, dielectric, and piezoelectric constants of AlN single crystals were investigated at elevated temperatures up to 1000°C by the resonance method. We used resonators of five different modes to obtain a complete set of material constants of AlN single crystals. The electrical resistivity of AlN at elevated temperature (1000°C) was found to be greater than 5 × 10(10) Ω · cm. The resonance frequency of the resonators, which was mainly determined by the elastic compliances, decreased linearly with increasing temperature, and was characterized by a relatively low temperature coefficient of frequency, in the range of -20 to -36 ppm/°C. For all the investigated resonator modes, the elastic constants and the electromechanical coupling factors exhibited excellent temperature stability, with small variations over the full temperature range, <11.2% and <17%, respectively. Of particular significance is that due to the pyroelectricity of AlN, both the dielectric and the piezoelectric constants had high thermal resistivity even at extreme high temperature (1000°C). Therefore, high electrical resistivity, temperature independence of electromechanical properties, as well as high thermal resistivity of the elastic, dielectric, and piezoelectric properties, suggest that AlN single crystals are a promising candidate for high-temperature piezoelectric sensing applications.

Anomalously large bend elastic constant and faster electro-optic response in anisotropic gels formed by a dipeptide

NASA Astrophysics Data System (ADS)

Bhargavi, R.; Nair, Geetha G.; Prasad, S. Krishna; Prabhu, Rashmi; Yelamaggad, C. V.

2011-04-01

We report rheological, static, and dynamic Freedericksz transformation measurements on an anisotropic thermoreversible gel formed by gelation of a nematic liquid crystal (NLC) with a monodisperse dipeptide. The storage and loss modulii obtained from a low strain oscillatory shear experiment display that the material forms a weak anisotropic gel, and undergoes a sharp thermal transition to an anisotropic sol state. Freedericksz transformation studies employing an electric field for the reorientation of the molecules present a surprising result: the gel possesses a very large Frank bend elastic constant value, which is orders of magnitude higher than that for the high temperature sol state as well as that for the neat NLC used. On the other hand, the splay elastic constant shows relatively a small increase. Further, these elastic constants show systematic but nonlinear variation with the concentration of the gelator. Attractive features of the electro-optic switching when the sol transforms to the gel state are the vanishing of the undesirable backflow effect, and nearly an order of magnitude decrease in the switching speed. In both the gel and sol states the extracted rotational viscosities are comparable to the values of the neat NLC at corresponding temperatures. In contrast, the bulk dynamic viscosity is more than three orders of magnitude higher in the gel. The studies also demonstrate that the anisotropic gel to anisotropic sol transition seen in this weak gel can be tracked by simply monitoring the static or the dynamic Freedericksz transformation.

Evaluation of microcrack thermal shock damage in ceramics: Modeling and experiment

NASA Technical Reports Server (NTRS)

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

1992-01-01

In this paper we present an experimental and theoretical study of the effect of microcrack damage on ceramic properties. For the experimental investigation, ceramic samples of aluminum oxide and reaction bonded silicon nitride (RBSN) are used. Thermal shock treatment from different temperatures up to 1000 C is applied to produce the microcracks. Both surface and bulk ultrasonic wave methods are used to correlate the change of elastic constants to microstructural degradation and to determine the change in elastic anisotropy induced by microcrack damage. For the theoretical investigation, damage mechanics, which relates microstructural damage to material service life and mechanical failure, is used. The change in elastic properties due to microcrack damage calculated from the theoretical model is compared with the experimental results for determination of the applicability of damage theory. It is shown that two independent experimental methods (bulk wave and surface wave) give the same results for shear moduli of damaged ceramics. The experimental results aagree reasonably well with the moduli predicted from the cracked solid model.

Toughening Mechanisms in Ultrahigh-Strength Steels

DTIC Science & Technology

1993-12-01

coherent M2C carbide pre- cipitate with a transformation strain with three unequal eigenstrains in an elastically anisotropic AF1410 steel. The...a coherent ellipsoidal M2C carbide precipitate which has different elastic con- stants from the matrix. The eigenstrain method was used to... eigenstrain method. Here, "inhomogeneous*’ means that the elastic constants inside the precipitate are different from those of the ma- trix, and

Micromechanical Prediction of the Effective Behavior of Fully Coupled Electro-Magneto-Thermo-Elastic Multiphase Composites

NASA Technical Reports Server (NTRS)

Aboudi, Jacob

2000-01-01

The micromechanical generalized method of cells model is employed for the prediction of the effective moduli of electro-magneto-thermo-elastic composites. These include the effective elastic, piezoelectric, piezomagnetic, dielectric, magnetic permeability, electromagnetic coupling moduli, as well as the effective thermal expansion coefficients and the associated pyroelectric and pyromagnetic constants. Results are given for fibrous and periodically bilaminated composites.

Evaluating variability with atomistic simulations: the effect of potential and calculation methodology on the modeling of lattice and elastic constants

NASA Astrophysics Data System (ADS)

Hale, Lucas M.; Trautt, Zachary T.; Becker, Chandler A.

2018-07-01

Atomistic simulations using classical interatomic potentials are powerful investigative tools linking atomic structures to dynamic properties and behaviors. It is well known that different interatomic potentials produce different results, thus making it necessary to characterize potentials based on how they predict basic properties. Doing so makes it possible to compare existing interatomic models in order to select those best suited for specific use cases, and to identify any limitations of the models that may lead to unrealistic responses. While the methods for obtaining many of these properties are often thought of as simple calculations, there are many underlying aspects that can lead to variability in the reported property values. For instance, multiple methods may exist for computing the same property and values may be sensitive to certain simulation parameters. Here, we introduce a new high-throughput computational framework that encodes various simulation methodologies as Python calculation scripts. Three distinct methods for evaluating the lattice and elastic constants of bulk crystal structures are implemented and used to evaluate the properties across 120 interatomic potentials, 18 crystal prototypes, and all possible combinations of unique lattice site and elemental model pairings. Analysis of the results reveals which potentials and crystal prototypes are sensitive to the calculation methods and parameters, and it assists with the verification of potentials, methods, and molecular dynamics software. The results, calculation scripts, and computational infrastructure are self-contained and openly available to support researchers in performing meaningful simulations.

Evidence for anisotropic polar nanoregions in relaxor Pb(Mg1/3Nb2/3)O3: A neutron study of the elastic constants and anomalous TA phonon damping in PMN

NASA Astrophysics Data System (ADS)

Stock, C.; Gehring, P. M.; Hiraka, H.; Swainson, I.; Xu, Guangyong; Ye, Z.-G.; Luo, H.; Li, J.-F.; Viehland, D.

2012-09-01

We use neutron inelastic scattering to characterize the acoustic phonons in the relaxor Pb(Mg1/3Nb2/3)O3 (PMN) and demonstrate the presence of a highly anisotropic damping mechanism that is directly related to short-range polar correlations. For a large range of temperatures above Tc˜210 K, where dynamic, short-range polar correlations are present, acoustic phonons propagating along [11¯0] and polarized along [110] (TA2 phonons) are overdamped and softened across most of the Brillouin zone. By contrast, acoustic phonons propagating along [100] and polarized along [001] (TA1 phonons) are overdamped and softened for a more limited range of wave vectors q. The anisotropy and temperature dependence of the acoustic phonon energy linewidth Γ are directly correlated with neutron diffuse scattering cross section, indicating that polar nanoregions are the cause of the anomalous behavior. The damping and softening vanish for q→0, i.e., for long-wavelength acoustic phonons near the zone center, which supports the notion that the anomalous damping is a result of the coupling between the relaxational component of the diffuse scattering and the harmonic TA phonons. Therefore, these effects are not due to large changes in the elastic constants with temperature because the elastic constants correspond to the long-wavelength limit. We compare the elastic constants we measure to those from Brillouin scattering experiments and to values reported for pure PbTiO3. We show that while the values of C44 are quite similar, those for C11 and C12 are significantly less in PMN and result in a softening of (C11-C12) over PbTiO3. The elastic constants also show an increased elastic anisotropy [2C44/(C11-C12)] in PMN versus that in PbTiO3. These results are suggestive of an instability to TA2 acoustic fluctuations in PMN and other relaxor ferroelectrics. We discuss our results in the context of the current debate over the “waterfall” effect and show that they are inconsistent with acoustic-optic phonon coupling or other models that invoke the presence of a second, low-energy optic mode.

Elastic constants and dynamics in nematic liquid crystals

NASA Astrophysics Data System (ADS)

Humpert, Anja; Allen, Michael P.

2015-09-01

In this paper, we present molecular dynamics calculations of the Frank elastic constants, and associated time correlation functions, in nematic liquid crystals. We study two variants of the Gay-Berne potential, and use system sizes of half a million molecules, significantly larger than in previous studies of elastic behaviour. Equilibrium orientational fluctuations in reciprocal (k-) space were calculated, to determine the elastic constants by fitting at low |k|; our results indicate that small system size may be a source of inaccuracy in previous work. Furthermore, the dynamics of the Gay-Berne nematic were studied by calculating time correlation functions of components of the order tensor, together with associated components of the velocity field, for a set of wave vectors k. Confirming our earlier work, we found exponential decay for splay and twist correlations, and oscillatory exponential decay for the bend correlation. In this work, we confirm similar behaviour for the corresponding velocity components. In all cases, the decay rates, and oscillation frequencies, were found to be accurately proportional to k2 for small k, as predicted by the equations of nematodynamics. However, the observation of oscillatory bend fluctuations, and corresponding oscillatory shear flow decay, is in contradiction to the usual assumptions appearing in the literature, and in standard texts. We discuss the advantages and drawbacks of using large systems in these calculations.

Non-invasive method of determining diastolic intracranial pressure

NASA Technical Reports Server (NTRS)

Yost, William T. (Inventor); Cantrell, Jr., John H. (Inventor); Hargens, Alan R. (Inventor)

2004-01-01

A method is presented for determining diastolic intracranial pressure (ICP) in a patient. A first change in the length of a path across the skull of the patient caused by a known change in ICP is measured and used to determine an elasticity constant for the patient. Next, a second change in the length of the path across the patient's skull occurring between systolic and diastolic portions of the patient's heartbeat is measured. The patient's diastolic ICP is a function of the elasticity constant and the second change.

On the role of constant-stress surfaces in the problem of minimizing elastic stress concentration

NASA Technical Reports Server (NTRS)

Wheeler, L.

1976-01-01

Cases involving antiplane shear deformation, axisymmetric torsion, and plane strain theory, with surfaces of constant stress magnitude optimal in terms of minimizing stress, are investigated. Results for the plane theory refer to exterior doubly connected domains. Stresses generated by torsion of an elastic solid lying within a radially convex region of revolution with plane ends, body force absent, and lateral surface traction-free, are examined. The unknown portion of the boundary of such domains may involve a hole, fillet, or notch.

The optical, vibrational, structural and elasto-optic properties of Zn{sub 0.25}Cd{sub 0.75}S{sub y}Se{sub 1-y} quaternary alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paliwal, U.; Swarkar, C. B., E-mail: chandrabhanuswarnkar@gmail.com; Sharma, M. D.

2016-05-06

The optical, vibrational, structural and elasto-optic properties of quaternary II-VI alloys Zn{sub 0.25}Cd{sub 0.75}S{sub 0.25}Se{sub 0.75}, Zn{sub 0.25}Cd{sub 0.75}S{sub 0.50}Se{sub 0.50} and Zn{sub 0.25}Cd{sub 0.75}S{sub 0.75}Se{sub 0.25} are presented. Within the empirical pseudopotential method (EPM) the disorder effects are modeled via modified virtual crystal approximation (MVCA). The computed bandgaps and the refined form factors are utilized to evaluate optical, vibrational, structural and elasto-optic properties. The refractive index (n), static (ε{sub 0}) and high frequency dielectric (ε{sub ∞}) constants are calculated to reveal optical behavior of alloys. The longitudinal ω{sub LO}(0) and transverse ω{sub TO}(0) optical frequencies are obtained to seemore » vibrational characteristics. Moreover, the elastic constants (c{sub ij}) and bulk moduli (B) are computed by combining the EPM with Harrison bond orbital model. The elasto-optic nature of alloys is examined by computing the photo-elastic constants. These values are significant with regard to the opto-electronic applications especially when no experimental data are available on this system.« less

Propagation of sound in highly porous open-cell elastic foams

NASA Technical Reports Server (NTRS)

Lambert, R. F.

1983-01-01

This work presents both theoretical predictions and experimental measurements of attenuation and progressive phase constants of sound in open-cell, highly porous, elastic polyurethane foams. The foams are available commercially in graded pore sizes for which information about the static flow resistance, thermal time constant, volume porosity, dynamic structure factor, and speed of sound is known. The analysis is specialized to highly porous foams which can be efficient sound absorbers at audio frequencies. Negligible effect of internal wave coupling on attenuation and phase shift for the frequency range 16-6000 Hz was predicted and no experimentally significant effects were observed in the bulk samples studied. The agreement between predictions and measurements in bulk materials is excellent. The analysis is applicable to both the regular and compressed elastic open-cell foams.

First-principles study on elastic and superconducting properties of Nb3Sn and Nb3Al under hydrostatic pressure

NASA Astrophysics Data System (ADS)

Zhang, Rui; Gao, Peifeng; Wang, Xingzhe; Zhou, Youhe

2015-10-01

The low temperature superconducting materials, such as Nb3Sn and Nb3Al, have similar crystal structures and elastic properties. However, their critical-temperature degradations always show the distinct way under mechanical stresses. In this study, first-principles calculations for the low temperature superconductors based on plane-wave pseudo-potential density functional theory within the generalized gradient approximation are implemented, and the elastic moduli of Nb3Sn and Nb3Al and those superconductivities in the presence of hydrostatic pressure are evaluated. The Debye temperatures are obtained by the bulk moduli and shear moduli of superconducting materials. The MacMillan equation is further used to acquire the critical temperatures of Nb3Sn and Nb3Al under different hydrostatic pressures. It is found that the elastic constants and bulk moduli of the low temperature superconductors are enhanced by the applied hydrostatic pressure, while the critical temperatures usually are decreased with the pressure. Additionally, the decrease of critical-temperature for Nb3Sn is more sensitive to the hydrostatic pressure than the one for Nb3Al. The prediction results show good agreement with the experimental results in the literatures qualitatively.

Facet-controlled phase separation in supersaturated Au-Ni nanoparticles upon shape equilibration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Herz, A., E-mail: andreas.herz@tu-ilmenau.de, E-mail: dong.wang@tu-ilmenau.de; Rossberg, D.; Hentschel, M.

2015-08-17

Solid-state dewetting is used to fabricate supersaturated, submicron-sized Au-Ni solid solution particles out of thin Au/Ni bilayers by means of a rapid thermal annealing technique. Phase separation in such particles is studied with respect to their equilibrium crystal (or Wulff) shape by subsequent annealing at elevated temperature. It is found that (100) faceting planes of the equilibrated particles are enriched with Ni and (111) faces with Au. Both phases are considered by quantum-mechanical calculations in combination with an error-reduction scheme that was developed to compensate for a missing exchange-correlation potential that would reliably describe both Au and Ni. The observedmore » phase configuration is then related to the minimization of strongly anisotropic elastic energies of Au- and Ni-rich phases and results in a rather unique nanoparticle composite state that is characterized by nearly uniform value of elastic response to epitaxial strains all over the faceted surface. The same conclusion is yielded also by evaluating bi-axial elastic moduli when employing interpolated experimental elastic constants. This work demonstrates a useful route for studying features of physical metallurgy at the mesoscale.« less

A model for cytoplasmic rheology consistent with magnetic twisting cytometry.

PubMed

Butler, J P; Kelly, S M

1998-01-01

Magnetic twisting cytometry is gaining wide applicability as a tool for the investigation of the rheological properties of cells and the mechanical properties of receptor-cytoskeletal interactions. Current technology involves the application and release of magnetically induced torques on small magnetic particles bound to or inside cells, with measurements of the resulting angular rotation of the particles. The properties of purely elastic or purely viscous materials can be determined by the angular strain and strain rate, respectively. However, the cytoskeleton and its linkage to cell surface receptors display elastic, viscous, and even plastic deformation, and the simultaneous characterization of these properties using only elastic or viscous models is internally inconsistent. Data interpretation is complicated by the fact that in current technology, the applied torques are not constant in time, but decrease as the particles rotate. This paper describes an internally consistent model consisting of a parallel viscoelastic element in series with a parallel viscoelastic element, and one approach to quantitative parameter evaluation. The unified model reproduces all essential features seen in data obtained from a wide variety of cell populations, and contains the pure elastic, viscoelastic, and viscous cases as subsets.

Stress relaxation study of fillers for directly compressed tablets

PubMed Central

Rehula, M.; Adamek, R.; Spacek, V.

2012-01-01

It is possible to assess viscoelastic properties of materials by means of the stress relaxation test. This method records the decrease in pressing power in a tablet at its constant height. The cited method was used to evaluate the time-dependent deformation for six various materials: microcrystalline cellulose, cellulose powder, hydroxypropyl methylcellulose, mannitol, lactose monohydrate, and hydrogen phosphate monohydrate. The decrease in pressing powering of a tablet during a 180 s period was described mathematically by the parameters of three exponential equations, where the whole course of the stress relaxation is divided into three individual processes (instant elastic deformation, retarded elastic deformation and permanent plastic deformation). Three values of the moduli of plasticity and elasticity were calculated for each compound. The values of elastic parameters ATi have a strong relationship with bulk density. The plastic parameters PTi represent particle tendency to form bonds. The values of plasticity in the third process PT3 ranged from 400 to 600 MPas. Mannitol had higher plasticity and lactose monohydrate on the contrary reduced plasticity. A linear relation exists between AT3 and PT3 for the third process. No similar interpretation of moduli calculated on the basis of three exponential equations has been realized yet. PMID:24850972

Traction-free vibrations of finite trigonal elastic cylinders.

PubMed

Heyliger, Paul R; Johnson, Ward L

2003-04-01

The unrestrained, traction-free vibrations of finite elastic cylinders with trigonal material symmetry are studied using two approaches, based on the Ritz method, which formulate the weak form of the equations of motion in cylindrical and rectangular coordinates. Elements of group theory are used to divide approximation functions into orthogonal subsets, thus reducing the size of the computational problem and classifying the general symmetries of the vibrational modes. Results for the special case of an isotropic cylinder are presented and compared with values published by other researchers. For the isotropic case, the relative accuracy of the formulations in cylindrical and rectangular coordinates can be evaluated, because exact analytical solutions are known for the torsional modes. The calculation in cylindrical coordinates is found to be more accurate for a given number of terms in the series approximation functions. For a representative trigonal material, langatate, calculations of the resonant frequencies and the sensitivity of the frequencies on each of the elastic constants are presented. The dependence on geometry (ratio of length to diameter) is briefly explored. The special case of a transversely isotropic cylinder (with the elastic stiffness C14 equal to zero) is also considered.

Physical interpretation and application of principles of ultrasonic nondestructive evaluation of high-performance materials

NASA Technical Reports Server (NTRS)

Miller, James G.

1990-01-01

An ultrasonic measurement system employed in the experimental interrogation of the anisotropic properties (through the measurement of the elastic stiffness constants) of the uniaxial graphite-epoxy composites is presented. The continuing effort for the development of improved visualization techniques for physical parameters is discussed. The background is set for the understanding and visualization of the relationship between the phase and energy/group velocity for propagation in high-performance anisotropic materials by investigating the general requirements imposed by the classical wave equation. The consequences are considered when the physical parameters of the anisotropic material are inserted into the classical wave equation by a linear elastic model. The relationship is described between the phase velocity and the energy/group velocity three dimensional surfaces through graphical techniques.

Fiscal Neutrality and Local Choice in Public Education.

ERIC Educational Resources Information Center

Weber, William L.

1991-01-01

Extends Feldstein's notion of wealth neutrality to embrace fiscal neutrality, using a representative consumer context. Employs an "ideal" demand system to model school district expenditures in a general equilibrium framework. Rejects constant price and income elasticity demand models. Supports the fiscally neutral elasticity model…

Phase-field study of ripening and rearrangement of precipitates under chemomechanical coupling

NASA Astrophysics Data System (ADS)

Schwarze, C.; Gupta, A.; Hickel, T.; Darvishi Kamachali, R.

2017-05-01

We investigate the evolution of large number of δ' coherent precipitates from a supersaturated Al-8 at.% Li alloy using large-scale phase-field simulations. A chemomechanical cross-coupling between mechanical relaxation and diffusion is taken into account by considering the dependence of elastic constants of the matrix phase onto the local concentration of solute atoms. The elastic constants as a function of solute concentration have been obtained using density functional theory calculations. As a result of the coupling, inverse ripening has been observed where the smaller precipitates grow at the expense of the larger ones. This is due to size-dependent concentration gradients existing around the precipitates. At the same time, precipitates rearrange themselves as a consequence of minimization of the total elastic energy of the system. It is found that the anisotropy of the chemomechanical coupling leads to the formation of new patterns of elasticity in the matrix thereby resulting in new alignments of the precipitates.

Pressure-induced elastic, electronic and optical properties of Ba(Mg1/3Nb2/3)O3 using first principles calculations

NASA Astrophysics Data System (ADS)

Islam, A. K. M. Farid Ul; Liton, M. N. H.; Anowar, M. G. M.

2018-06-01

The pressure dependent mechanical stability, electronic structure and optical properties of Ba(Mg1/3Nb2/3)O3 (BMN) perovskite have been investigated in the framework of the density functional theory. Geometry optimization shows that the BMN possesses more compressibility along c-axis. The dependency of the elastic constants, the aggregated elastic moduli (B, G) and the elastic anisotropy on pressure has also been studied. BMN shows brittle character at ambient pressure but it becomes ductile, and also stiffer and anisotropic nature due to external pressure. Electronic structure indicates the conversion of indirect to direct band gap with increasing pressure. Dominated ionic character of BMN is confirmed from the bond population analysis. By analyzing the optical spectra, a red shift at the band edge is observed in the visible range indicating the band gap tuning. It is seen that the static dielectric constant increases with pressure.

Abnormal Elasticity of Single-Crystal Magnesiosiderite across the Spin Transition in Earth's Lower Mantle

NASA Astrophysics Data System (ADS)

Fu, Suyu; Yang, Jing; Lin, Jung-Fu

2017-01-01

Brillouin light scattering and impulsive stimulated light scattering have been used to determine the full elastic constants of magnesiosiderite [(Mg0.35Fe0.65)CO3 ] up to 70 GPa at room temperature in a diamond-anvil cell. Drastic softening in C11 , C33 , C12 , and C13 elastic moduli associated with the compressive stress component and stiffening in C44 and C14 moduli associated with the shear stress component are observed to occur within the spin transition between ˜42.4 and ˜46.5 GPa . Negative values of C12 and C13 are also observed within the spin transition region. The Born criteria constants for the crystal remain positive within the spin transition, indicating that the mixed-spin state remains mechanically stable. Significant auxeticity can be related to the electronic spin transition-induced elastic anomalies based on the analysis of Poisson's ratio. These elastic anomalies are explained using a thermoelastic model for the rhombohedral system. Finally, we conclude that mixed-spin state ferromagnesite, which is potentially a major deep-carbon carrier, is expected to exhibit abnormal elasticity, including a negative Poisson's ratio of -0.6 and drastically reduced VP by 10%, in Earth's midlower mantle.

The influence of anisotropy on the core structure of Shockley partial dislocations within FCC materials

NASA Astrophysics Data System (ADS)

Szajewski, B. A.; Hunter, A.; Luscher, D. J.; Beyerlein, I. J.

2018-01-01

Both theoretical and numerical models of dislocations often necessitate the assumption of elastic isotropy to retain analytical tractability in addition to reducing computational load. As dislocation based models evolve towards physically realistic material descriptions, the assumption of elastic isotropy becomes increasingly worthy of examination. We present an analytical dislocation model for calculating the full dissociated core structure of dislocations within anisotropic face centered cubic (FCC) crystals as a function of the degree of material elastic anisotropy, two misfit energy densities on the γ-surface ({γ }{{isf}}, {γ }{{usf}}) and the remaining elastic constants. Our solution is independent of any additional features of the γ-surface. Towards this pursuit, we first demonstrate that the dependence of the anisotropic elasticity tensor on the orientation of the dislocation line within the FCC crystalline lattice is small and may be reasonably neglected for typical materials. With this approximation, explicit analytic solutions for the anisotropic elasticity tensor {B} for both nominally edge and screw dislocations within an FCC crystalline lattice are devised, and employed towards defining a set of effective isotropic elastic constants which reproduce fully anisotropic results, however do not retain the bulk modulus. Conversely, Hill averaged elastic constants which both retain the bulk modulus and reasonably approximate the dislocation core structure are employed within subsequent numerical calculations. We examine a wide range of materials within this study, and the features of each partial dislocation core are sufficiently localized that application of discrete linear elasticity accurately describes the separation of each partial dislocation core. In addition, the local features (the partial dislocation core distribution) are well described by a Peierls-Nabarro dislocation model. We develop a model for the displacement profile which depends upon two disparate dislocation length scales which describe the core structure; (i) the equilibrium stacking fault width between two Shockley partial dislocations, R eq and (ii) the maximum slip gradient, χ, of each Shockley partial dislocation. We demonstrate excellent agreement between our own analytic predictions, numerical calculations, and R eq computed directly by both ab-initio and molecular statics methods found elsewhere within the literature. The results suggest that understanding of various plastic mechanisms, e.g., cross-slip and nucleation may be augmented with the inclusion of elastic anisotropy.

The effects of rigid motions on elastic network model force constants

PubMed Central

Lezon, Timothy R.

2012-01-01

Elastic network models provide an efficient way to quickly calculate protein global dynamics from experimentally determined structures. The model’s single parameter, its force constant, determines the physical extent of equilibrium fluctuations. The values of force constants can be calculated by fitting to experimental data, but the results depend on the type of experimental data used. Here we investigate the differences between calculated values of force constants _t to data from NMR and X-ray structures. We find that X-ray B factors carry the signature of rigid-body motions, to the extent that B factors can be almost entirely accounted for by rigid motions alone. When fitting to more refined anisotropic temperature factors, the contributions of rigid motions are significantly reduced, indicating that the large contribution of rigid motions to B factors is a result of over-fitting. No correlation is found between force constants fit to NMR data and those fit to X-ray data, possibly due to the inability of NMR data to accurately capture protein dynamics. PMID:22228562

Marangoni elasticity of flowing soap films

NASA Astrophysics Data System (ADS)

Kim, Ildoo; Mandre, Shreyas

2017-08-01

We measure the Marangoni elasticity of a flowing soap film to be 22 mN/m irrespective of its width, thickness, flow speed, or the bulk soap concentration. We perform this measurement by generating an oblique shock in the soap film and measuring the shock angle, flow speed, and thickness. We postulate that the elasticity is constant because the film surface is crowded with soap molecules. Our method allows nondestructive measurement of flowing soap film elasticity and the value 22 mN/m is likely applicable to other similarly constructed flowing soap films.

Evaluation of selected strapdown inertial instruments and pulse torque loops, volume 1

NASA Technical Reports Server (NTRS)

Sinkiewicz, J. S.; Feldman, J.; Lory, C. B.

1974-01-01

Design, operational and performance variations between ternary, binary and forced-binary pulse torque loops are presented. A fill-in binary loop which combines the constant power advantage of binary with the low sampling error of ternary is also discussed. The effects of different output-axis supports on the performance of a single-degree-of-freedom, floated gyroscope under a strapdown environment are illustrated. Three types of output-axis supports are discussed: pivot-dithered jewel, ball bearing and electromagnetic. A test evaluation on a Kearfott 2544 single-degree-of-freedom, strapdown gyroscope operating with a pulse torque loop, under constant rates and angular oscillatory inputs is described and the results presented. Contributions of the gyroscope's torque generator and the torque-to-balance electronics on scale factor variation with rate are illustrated for a SDF 18 IRIG Mod-B strapdown gyroscope operating with various pulse rebalance loops. Also discussed are methods of reducing this scale factor variation with rate by adjusting the tuning network which shunts the torque coil. A simplified analysis illustrating the principles of operation of the Teledyne two-degree-of-freedom, elastically-supported, tuned gyroscope and the results of a static and constant rate test evaluation of that instrument are presented.

Deformation of a flexible disk bonded to an elastic half space-application to the lung.

PubMed

Lai-Fook, S J; Hajji, M A; Wilson, T A

1980-08-01

An analysis is presented of the deformation of a homogeneous, isotropic, elastic half space subjected to a constant radial strain in a circular area on the boundary. Explicit analytic expressions for the normal and radial displacements and the shear stress on the boundary are used to interpret experiments performed on inflated pig lungs. The boundary strain was induced by inflating or deflating the lung after bonding a flexible disk to the lung surface. The prediction that the surface bulges outward for positive boundary strain and inward for negative strain was observed in the experiments. Poisson's ratio at two transpulmonary pressures was measured, by use of the normal displacement equation evaluated at the surface. A direct estimate of Poisson's ratio was possible because the normal displacement of the surface depended uniquely on the compressibility of the material. Qualitative comparisons between theory and experiment support the use of continuum analyses in evaluating the behavior of the lung parenchyma when subjected to small local distortions.

Torsion of a Cosserat elastic bar with square cross section: theory and experiment

NASA Astrophysics Data System (ADS)

Drugan, W. J.; Lakes, R. S.

2018-04-01

An approximate analytical solution for the displacement and microrotation vector fields is derived for pure torsion of a prismatic bar with square cross section comprised of homogeneous, isotropic linear Cosserat elastic material. This is accomplished by analytical simplification coupled with use of the principle of minimum potential energy together with polynomial representations for the desired field components. Explicit approximate expressions are derived for cross section warp and for applied torque versus angle of twist of the bar. These show that torsional rigidity exceeds the classical elasticity value, the difference being larger for slender bars, and that cross section warp is less than the classical amount. Experimental measurements on two sets of 3D printed square cross section polymeric bars, each set having a different microstructure and four different cross section sizes, revealed size effects not captured by classical elasticity but consistent with the present analysis for physically sensible values of the Cosserat moduli. The warp can allow inference of Cosserat elastic constants independently of any sensitivity the material may have to dilatation gradients; warp also facilitates inference of Cosserat constants that are difficult to obtain via size effects.

Lattice dynamic properties of Rh2XAl (X=Fe and Y) alloys

NASA Astrophysics Data System (ADS)

Al, Selgin; Arikan, Nihat; Demir, Süleyman; Iyigör, Ahmet

2018-02-01

The electronic band structure, elastic and vibrational spectra of Rh2FeAl and Rh2YAl alloys were computed in detail by employing an ab-initio pseudopotential method and a linear-response technique based on the density-functional theory (DFT) scheme within a generalized gradient approximation (GGA). Computed lattice constants, bulk modulus and elastic constants were compared. Rh2YAl exhibited higher ability to resist volume change than Rh2FeAl. The elastic constants, shear modulus, Young modulus, Poisson's ratio, B/G ratio electronic band structure, total and partial density of states, and total magnetic moment of alloys were also presented. Rh2FeAl showed spin up and spin down states whereas Rh2YAl showed none due to being non-magnetic. The calculated total densities of states for both materials suggest that both alloys are metallic in nature. Full phonon spectra of Rh2FeAl and Rh2YA1 alloys in the L21 phase were collected using the ab-initio linear response method. The obtained phonon frequencies were in the positive region indicating that both alloys are dynamically stable.

Lattice dynamics in magnetic superelastic Ni-Mn-In alloys. Neutron scattering and ultrasonic experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moya, Xavier; Gonzalez-Alonso, David; Manosa, Lluis

2009-01-01

Neutron scattering and ultrasonic methods have been used to study the lattice dynamics of two single crystals of Ni-Mn-In Heusler alloys close to Ni50Mn34In16 magnetic superelastic composition. The paper reports the experimental determination of the low-lying phonon dispersion curves and the elastic constants for this alloy system. We found that the frequencies of the TA2 branch are relatively low and it exhibits a small dip anomaly at a wave number n= 1/3, which softens with decreasing temperature. Associated with the softening of this phonon, we also observed the softening of the shear elastic constant C0 = (C11 C12)=2. Both temperaturemore » softenings are typical for bcc based solids which undergo martensitic transformations and re ect the dynamical instability of the cubic lattice against shearing of f110g planes along h1 10i directions. Additionally, we measured low-lying phonon dispersion branches and elastic constants in applied magnetic fields aimed to characterize the magnetoelastic coupling.« less

Characteristic wave speeds in the surface Brillouin scattering measurement of elastic constants of crystals

NASA Astrophysics Data System (ADS)

Every, A. G.; Kotane, L. M.; Comins, J. D.

2010-06-01

A simple and robust fitting procedure is presented for determining the three elastic constants of a cubic crystal from surface Brillouin scattering measurements carried out in the ⟨100⟩ and ⟨110⟩ directions in a (001) surface. The input data utilized are the Rayleigh surface wave velocity, the Lamb shoulder threshold velocity, and the longitudinal lateral wave velocity measured in the two directions. In fitting these velocities, use of simple closed-form expressions is made for the secular functions determining them. Corresponding expressions for the ⟨010⟩ and ⟨101¯⟩ directions in the (101) plane are also provided. The formulas for the Lamb shoulder threshold, which have not previously been available in the literature, should prove to be particularly useful, as they apply also to thin supported film structures. The procedure is applied to the determination of the elastic constants of the ternary semiconductor alloy InAs0.91Sb0.09 , yielding C11=74.4GPa , C12=40.5GPa , and C44=37.8GPa .

Investigation of different physical aspects such as structural, mechanical, optical properties and Debye temperature of Fe2ScM (M=P and As) semiconductors: A DFT-based first principles study

NASA Astrophysics Data System (ADS)

Ali, Md. Lokman; Rahaman, Md. Zahidur

2018-04-01

By using first principles calculation dependent on the density functional theory (DFT), we have investigated the mechanical, structural properties and the Debye temperature of Fe2ScM (M=P and As) compounds under various pressures up to 60 GPa. The optical properties have been investigated under zero pressure. Our calculated optimized structural parameters of both the materials are in good agreement with other theoretical predictions. The calculated elastic constants show that Fe2ScM (M=P and As) compounds are mechanically stable under external pressure below 60 GPa. From the elastic constants, the shear modulus G, the bulk modulus B, Young’s modulus E, anisotropy factor A and Poisson’s ratio ν are calculated by using the Voigt-Reuss-Hill approximation. The Debye temperature and average sound velocities are also investigated from the obtained elastic constants. The detailed analysis of all optical functions reveals that both compounds are good dielectric material.

Polynomial Expressions for Estimating Elastic Constants From the Resonance of Circular Plates

NASA Technical Reports Server (NTRS)

Salem, Jonathan A.; Singh, Abhishek

2005-01-01

Two approaches were taken to make convenient spread sheet calculations of elastic constants from resonance data and the tables in ASTM C1259 and E1876: polynomials were fit to the tables; and an automated spread sheet interpolation routine was generated. To compare the approaches, the resonant frequencies of circular plates made of glass, hardened maraging steel, alpha silicon carbide, silicon nitride, tungsten carbide, tape cast NiO-YSZ, and zinc selenide were measured. The elastic constants, as calculated via the polynomials and linear interpolation of the tabular data in ASTM C1259 and E1876, were found comparable for engineering purposes, with the differences typically being less than 0.5 percent. Calculation of additional v values at t/R between 0 and 0.2 would allow better curve fits. This is not necessary for common engineering purposes, however, it might benefit the testing of emerging thin structures such as fuel cell electrolytes, gas conversion membranes, and coatings when Poisson s ratio is less than 0.15 and high precision is needed.

Temperature effect on stress concentration around circular hole in a composite material specimen representative of X-29A forward-swept wing aircraft

NASA Technical Reports Server (NTRS)

Yeh, Hsien-Yang

1988-01-01

The theory of anisotropic elasticity was used to evaluate the anisotropic stress concentration factors of a composite laminated plate containing a small circular hole. This advanced composite was used to manufacture the X-29A forward-swept wing. It was found for composite material, that the anisotropic stress concentration is no longer a constant, and that the locations of maximum tangential stress points could shift by changing the fiber orientation with respect to the loading axis. The analysis showed that through the lamination process, the stress concentration factor could be reduced drastically, and therefore the structural performance could be improved. Both the mixture rule approach and the constant strain approach were used to calculate the stress concentration factor of room temperature. The results predicted by the mixture rule approach were about twenty percent deviate from the experimental data. However, the results predicted by the constant strain approach matched the testing data very well. This showed the importance of the inplane shear effect on the evaluation of the stress concentration factor for the X-29A composite plate.

Identification of elastic, dielectric, and piezoelectric constants in piezoceramic disks.

PubMed

Perez, Nicolas; Andrade, Marco A B; Buiochi, Flavio; Adamowski, Julio C

2010-12-01

Three-dimensional modeling of piezoelectric devices requires a precise knowledge of piezoelectric material parameters. The commonly used piezoelectric materials belong to the 6mm symmetry class, which have ten independent constants. In this work, a methodology to obtain precise material constants over a wide frequency band through finite element analysis of a piezoceramic disk is presented. Given an experimental electrical impedance curve and a first estimate for the piezoelectric material properties, the objective is to find the material properties that minimize the difference between the electrical impedance calculated by the finite element method and that obtained experimentally by an electrical impedance analyzer. The methodology consists of four basic steps: experimental measurement, identification of vibration modes and their sensitivity to material constants, a preliminary identification algorithm, and final refinement of the material constants using an optimization algorithm. The application of the methodology is exemplified using a hard lead zirconate titanate piezoceramic. The same methodology is applied to a soft piezoceramic. The errors in the identification of each parameter are statistically estimated in both cases, and are less than 0.6% for elastic constants, and less than 6.3% for dielectric and piezoelectric constants.

Manpower Theory and Policy and the Residual Occupational Elasticity of Substitution.

ERIC Educational Resources Information Center

Rostker, Bernard Daniel

By developing the short-run policy implications of a structurally disaggregated labor market, this study attempts to show that fiscal and manpower policies are complementary means to achieve full employment. Using a constant elasticity of substitution production function, the study demonstrates mathematically that the smaller the residual…

Relations between temperature coefficients of permittivity and elastic compliances in PZT ceramics near the morphotropic phase boundary.

PubMed

Boudys, M

1991-01-01

Variations of temperature coefficients of permittivity epsilon(33)(T), elastic compliances at constant electric fields s(11)(E), and constant polarization s(11)(P) with a Zr/Ti ratio of Pb(Zr(x)Ti(1-x))O(3) and Pb[(Sb(1/3)Mn(2/3))(0.05)Zr(x)Ti (0.95-x)]O(3) solid solutions, were investigated. Relations between temperature coefficients of epsilon(33)(T ), S(11)(E), and S(11) (P) were theoretically derived; a discrepancy was found between theoretical relations and experimental results. On the basis of the observed discrepancy, it is proposed that some extrinsic effects arising from the motion of interphase boundaries between the tetragonal and the rhombohedral phases which exist in grains contribute to values of both elastic compliances.

Mechanical and optical behavior of a tunable liquid lens using a variable cross section membrane: modeling results

NASA Astrophysics Data System (ADS)

Flores-Bustamante, Mario C.; Rosete-Aguilar, Martha; Calixto, Sergio

2016-03-01

A lens containing a liquid medium and having at least one elastic membrane as one of its components is known as an elastic membrane lens (EML). The elastic membrane may have a constant or variable thickness. The optical properties of the EML change by modifying the profile of its elastic membrane(s). The EML formed of elastic constant thickness membrane(s) have been studied extensively. However, EML information using elastic membrane of variable thickness is limited. In this work, we present simulation results of the mechanical and optical behavior of two EML with variable thickness membranes (convex-plane membranes). The profile of its surfaces were modified by liquid medium volume increases. The model of the convex-plane membranes, as well as the simulation of its mechanical behavior, were performed using Solidworks® software; and surface's points of the deformed elastic lens were obtained. Experimental stress-strain data, obtained from a silicone rubber simple tensile test, according to ASTM D638 norm, were used in the simulation. Algebraic expressions, (Schwarzschild formula, up to four deformation coefficients, in a cylindrical coordinate system (r, z)), of the meridional profiles of the first and second surfaces of the deformed convex-plane membranes, were obtained using the results from Solidworks® and a program in the software Mathematica®. The optical performance of the EML was obtained by simulation using the software OSLO® and the algebraic expressions obtained in Mathematica®.

Interaction potential for indium phosphide: a molecular dynamics and first-principles study of the elastic constants, generalized stacking fault and surface energies.

PubMed

Branicio, Paulo Sergio; Rino, José Pedro; Gan, Chee Kwan; Tsuzuki, Hélio

2009-03-04

Indium phosphide is investigated using molecular dynamics (MD) simulations and density-functional theory calculations. MD simulations use a proposed effective interaction potential for InP fitted to a selected experimental dataset of properties. The potential consists of two- and three-body terms that represent atomic-size effects, charge-charge, charge-dipole and dipole-dipole interactions as well as covalent bond bending and stretching. Predictions are made for the elastic constants as a function of density and temperature, the generalized stacking fault energy and the low-index surface energies.

Numerical modeling of the strain of elastic rubber elements

NASA Astrophysics Data System (ADS)

Moskvichev, E. N.; Porokhin, A. V.; Shcherbakov, I. V.

2017-11-01

A comparative analysis of the results of experimental investigation of mechanical behavior of the rubber sample during biaxial compression testing and numerical simulation results obtained by the finite element method was carried out to determine the correctness of the model applied in the engineering calculations of elastic structural elements made of the rubber. The governing equation represents the five-parameter Mooney-Rivlin model with the constants determined from experimental data. The investigation results showed that these constants reliably describe the mechanical behavior of the material under consideration. The divergence of experimental and numerical results does not exceed 15%.

Constant-Elasticity-of-Substitution Simulation

NASA Technical Reports Server (NTRS)

Reiter, G.

1986-01-01

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

Test of parameter-free local pseudopotential for the study of dynamical elastic constants - Cu as a prototype

NASA Astrophysics Data System (ADS)

Bhatia, K. G.; Vyas, S. M.; Patel, A. B.; Bhatt, N. K.; Vyas, P. R.; Gohel, V. B.

2018-05-01

Using parameter-free (first principles local) pseudopotential, in the present communication we have calculated dynamical elastic constants (C11, C12 and C44), bulk modulus (B), shear modulus (µp), Young's modulus (Y) and Poisson's ratio (σ) in long wavelength limit. Our computed results are well agreed for C44 and B with experiment and with other theoretical results obtained within framework of second order perturbation pseudopotential theory. From the present study we conclude that pseudopotential used contain s-p hybridization and no extra term is required to account core-core repulsion.

Shooting in a foam.

PubMed

Le Goff, Anne; Quéré, David; Clanet, Christophe

2014-09-21

We study the motion of a solid sphere after its fast impact on a bath of liquid foam. We identify two regimes of deceleration. At short times, the velocity is still large and the foam behaves similar to a Newtonian fluid of constant viscosity. Then we measure a velocity threshold below which the sphere starts experiencing the foam's elasticity. We interpret this behavior using a visco-elasto-plastic model for foam rheology. Finally we discuss the possibility of stopping a projectile in the foam, and evaluate the capture efficiency.

Development and Evaluation of an Uncoupled, Incremental Constitutive Model for Elastic-Plastic-Creep Behavior at Elevated Temperatures.

DTIC Science & Technology

1982-05-01

Pugh, C. E., "Creep Studies on Type 304 Stainless Steel (Heat 8043813) Under Constant and Varying Loads," ORNL -TM- 4427 , June 1974, Oak Ridge National...34 hysteria loop predictions show. Oak Ridge ( ORNL ) [30) and combined hardening rules predict overall * 21 Stes Stress...Analysis of FFTF Components," ORNL TM-3602, Oak Ridge National Laboratory, Oak Ridge, Tenn., Sept. 1972. 31. Dafalias, Y. F., and Popov, E. P., "Plastic

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

PubMed

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

2015-08-12

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

The role of elastic stored energy in controlling the long term rheological behaviour of the lithosphere

NASA Astrophysics Data System (ADS)

Regenauer-Lieb, Klaus; Weinberg, Roberto F.; Rosenbaum, Gideon

2012-04-01

The traditional definition of lithospheric strength is derived from the differential stresses required to form brittle and ductile structures at a constant strain rate. This definition is based on dissipative brittle and ductile deformation and does not take into account the ability of the lithosphere to store elastic strain. Here we show the important role of elasticity in controlling the long-term behaviour of the lithosphere. This is particularly evident when describing deformation in a thermodynamic framework, which differentiates between stored (Helmholtz free energy) and dissipative (entropy) energy potentials. In our model calculations we stretch a continental lithosphere with a wide range of crustal thickness (30-60 km) and heat flow (50-80 mW/m2) at a constant velocity. We show that the Helmholtz free energy, which in our simple calculation describes the energy stored elastically, converges for all models within a 25% range, while the dissipated energy varies over an order of magnitude. This variation stems from complex patterns in the local strain distributions of the different models, which together operate to minimize the Helmholtz free energy. This energy minimization is a fundamental material behaviour of the lithosphere, which in our simple case is defined by its elastic properties. We conclude from this result that elasticity (more generally Helmholtz free energy) is an important regulator of the long-term geological strength of the lithosphere.

Analytical and experimental investigations of human spine flexure.

NASA Technical Reports Server (NTRS)

Moffatt, C. A.; Advani, S. H.; Lin, C.-J.

1971-01-01

The authors report on experiments to measure the resistance of fresh human spines to flexion in the upper lumbar and lower thoracic regions and evaluate results by using a combination of strength of materials theory and effects of shear and comparing with data reported by other authors. The test results indicate that the thoraco-lumbar spine behaves approximately as a linear elastic beam, without relaxation effects. The authors formulate a simple continuum dynamic model of the spine simulating aircraft ejection and solve the resulting boundary value problem to illustrate the importance of the flexural mode. A constant cross-section, the selected model is a sinusoidally curved elastic beam with an end mass subjected to a Heaviside axial acceleration at the other end. The paper presents transient response results for the spinal model axial and bending displacements and axial force.-

Understanding the Effect of Plastic Deformation on Elastic Modulus of Metals Based on a Percolation Model with Electron Work Function

NASA Astrophysics Data System (ADS)

Li, Qingda; Hua, Guomin; Lu, Hao; Yu, Bin; Li, D. Y.

2018-05-01

The elastic modulus of materials is usually treated as a constant in engineering applications. However, plastic deformation may result in changes in the elastic modulus of metallic materials. Using brass, aluminum, and low-carbon steel as sample materials, it is demonstrated that plastic deformation decreased the elastic modulus of the materials by 10% to 20%. A percolation model incorporating the electron work function is proposed to correlate such plastic-strain-induced variations in the elastic modulus to corresponding changes in the electron work function. Efforts are made to understand the observed phenomenon on an electronic basis. The obtained experimental results are consistent with the theoretical analysis.

Milestone report on MD potential development for uranium silicide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Jianguo; Zhang, Yongfeng; Hales, Jason Dean

2016-03-01

This report summarizes the progress on the interatomic potential development of triuranium-disilicide (U 3Si 2) for molecular dynamics (MD) simulations. The development is based on the Tersoff type potentials for single element U and Si. The Si potential is taken from the literature and a Tersoff type U potential is developed in this project. With the primary focus on the U 3Si 2 phase, some other U-Si systems such as U 3Si are also included as a test of the transferability of the potentials for binary U-Si phases. Based on the potentials for unary U and Si, two sets ofmore » parameters for the binary U-Si system are developed using the Tersoff mixing rules and the cross-term fitting, respectively. The cross-term potential is found to give better results on the enthalpy of formation, lattice constants and elastic constants than those produced by the Tersoff mixing potential, with the reference data taken from either experiments or density functional theory (DFT) calculations. In particular, the results on the formation enthalpy and lattice constants for the U 3Si 2 phase and lattice constants for the high temperature U 3Si (h-U 3Si) phase generated by the cross-term potential agree well with experimental data. Reasonable agreements are also reached on the elastic constants of U 3Si 2, on the formation enthalpy for the low temperature U 3Si (m-U 3Si) and h-U 3Si phases, and on the lattice constants of m-U 3Si phase. All these phases are predicted to be mechanically stable. The unary U potential is tested for three metallic U phases (α, β, γ). The potential is found capable to predict the cohesive energies well against experimental data for all three phases. It matches reasonably with previous experiments on the lattice constants and elastic constants of αU.« less

First-principle calculations of structural, electronic, optical, elastic and thermal properties of MgXAs2 (X=Si, Ge) compounds

NASA Astrophysics Data System (ADS)

Cheddadi, S.; Boubendira, K.; Meradji, H.; Ghemid, S.; Hassan, F. El Haj; Lakel, S.; Khenata, R.

2017-12-01

First-principle calculations on the structural, electronic, optical, elastic and thermal properties of the chalcopyrite MgXAs2 (X=Si, Ge) have been performed within the density functional theory (DFT) using the full-potential linearized augmented plane wave (FP-LAPW) method. The obtained equilibrium structural parameters are in good agreement with the available experimental data and theoretical results. The calculated band structures reveal a direct energy band gap for the interested compounds. The predicted band gaps using the modified Becke-Johnson (mBJ) exchange approximation are in fairly good agreement with the experimental data. The optical constants such as the dielectric function, refractive index, and the extinction coefficient are calculated and analysed. The independent elastic parameters namely, C_{11}, C_{12}, C_{13}, C_{33}, C_{44} and C_{66 } are evaluated. The effects of temperature and pressure on some macroscopic properties of MgSiAs2 and MgGeAs2 are predicted using the quasiharmonic Debye model in which the lattice vibrations are taken into account.

Vitamin E nanoemulsion activity on stored red blood cells.

PubMed

Silva, C A L; Azevedo Filho, C A; Pereira, G; Silva, D C N; Castro, M C A B; Almeida, A F; Lucena, S C A; Santos, B S; Barjas-Castro, M L; Fontes, A

2017-06-01

Stored red blood cells (RBCs) undergo numerous changes that have been termed RBC storage lesion, which can be related to oxidative damage. Vitamin E is an important antioxidant, acting on cell lipids. Thus, this study aimed to investigate vitamin E activity on stored RBCs. We prepared a vitamin E nanoemulsion that was added to RBC units and stored at 4 °C. Controls, without vitamin E, were kept under the same conditions. Reactive oxygen species (ROS) production was monitored for up to 35 days of storage. RBC elasticity was also evaluated using an optical tweezer system. Vitamin E-treated samples presented a significant decrease in ROS production. Additionally, the elastic constant for vitamin E-treated RBCs did not differ from the control. Vitamin E decreased the amount of ROS in stored RBCs. Because vitamin E acts on lipid oxidation, results suggest that protein oxidation should also be considered a key factor for erythrocyte elastic properties. Thus, further studies combining vitamin E with protein antioxidants deserve attention, aiming to better preserve overall stored RBC properties. © 2017 British Blood Transfusion Society.

Knitted Patterns as a Model for Anisotropy

ERIC Educational Resources Information Center

Cepic, Mojca

2012-01-01

Anisotropy is a difficult concept, although it is often met in everyday life. This paper describes a simple model--knitted patterns--having anisotropic elastic properties. The elastic constant is measured for the force applied in different directions with respect to the knitting direction. It is also shown that the deformation of the knitted…

Income Tax Policy and Charitable Giving

ERIC Educational Resources Information Center

Brooks, Arthur C.

2007-01-01

Many studies over the past 20 years have looked at the response of charitable donations to tax incentives--the tax price elasticity of giving. Generally, authors have assumed this elasticity is constant across all types of giving. Using the 2001 Panel Study of Income Dynamics data on charitable giving, this paper estimates the tax price elasticity…

Elastic properties of dense solid phases of hard cyclic pentamers and heptamers in two dimensions.

PubMed

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

2003-03-01

Systems of model planar, nonconvex, hard-body "molecules" of fivefold and sevenfold symmetry axes are studied by constant pressure Monte Carlo simulations with variable shape of the periodic box. The molecules, referred to as pentamers (heptamers), are composed of five (seven) identical hard disks "atoms" with centers forming regular pentagons (heptagons) of sides equal to the disk diameter. The elastic compliances of defect-free solid phases are computed by analysis of strain fluctuations and the reference (equilibrium) state is determined within the same run in which the elastic properties are computed. Results obtained by using pseudorandom number generators based on the idea proposed by Holian and co-workers [Holian et al., Phys. Rev. E 50, 1607 (1994)] are in good agreement with the results generated by DRAND48. It is shown that singular behavior of the elastic constants near close packing is in agreement with the free volume approximation; the coefficients of the leading singularities are estimated. The simulations prove that the highest density structures of heptamers (in which the molecules cannot rotate) are auxetic, i.e., show negative Poisson ratios.

Non-linear optical measurement of the twist elastic constant in thermotropic and DNA lyotropic chiral nematics.

PubMed

Lucchetti, Liana; Fraccia, Tommaso P; Ciciulla, Fabrizio; Bellini, Tommaso

2017-07-10

Throughout the whole history of liquid crystals science, the balancing of intrinsic elasticity with coupling to external forces has been the key strategy for most application and investigation. While the coupling of the optical field to the nematic director is at the base of a wealth of thoroughly described optical effects, a significant variety of geometries and materials have not been considered yet. Here we show that by adopting a simple cell geometry and measuring the optically induced birefringence, we can readily extract the twist elastic coefficient K 22 of thermotropic and lyotropic chiral nematics (N*). The value of K 22 we obtain for chiral doped 5CB thermotropic N* well matches those reported in the literature. With this same strategy, we could determine for the first time K 22 of the N* phase of concentrated aqueous solutions of DNA oligomers, bypassing the limitations that so far prevented measuring the elastic constants of this class of liquid crystalline materials. The present study also enlightens the significant nonlinear optical response of DNA liquid crystals.

Viscoplasticity based on overstress with a differential growth law for the equilibrium stress

NASA Technical Reports Server (NTRS)

Krempl, E.; Mcmahon, J. J.; Yao, D.

1985-01-01

Two coupled, nonlinear differential equations are proposed for the modeling of the elastic and rate (time) dependent inelastic behavior of structural metals in the absence of recovery and aging. The structure of the model is close to the unified theories but contains essential differences. It is shown that the model reproduces almost elastic regions upon initial loading and in the unloading regions of the hysteresis loop. Under loading, unloading and reloading in strain control the model simulated the experimentally observed sharp transition from nearly elastic to inelastic behavior. When a formulation akin to existing unified theories is adopted the almost elastic regions reduce the points and the transition upon reloading is very gradual. For different formulations the behavior under sudden in(de)creases of the strain rate by two orders of magnitude is simulated by numerical experiments and differences are noted. The model represents cyclically neutral behavior and contains three constants and two positive, decreasing functions. The determination of constants and functions from monotonic loading with strain rate changes and relaxation periods is described.

The effects of rigid motions on elastic network model force constants.

PubMed

Lezon, Timothy R

2012-04-01

Elastic network models provide an efficient way to quickly calculate protein global dynamics from experimentally determined structures. The model's single parameter, its force constant, determines the physical extent of equilibrium fluctuations. The values of force constants can be calculated by fitting to experimental data, but the results depend on the type of experimental data used. Here, we investigate the differences between calculated values of force constants and data from NMR and X-ray structures. We find that X-ray B factors carry the signature of rigid-body motions, to the extent that B factors can be almost entirely accounted for by rigid motions alone. When fitting to more refined anisotropic temperature factors, the contributions of rigid motions are significantly reduced, indicating that the large contribution of rigid motions to B factors is a result of over-fitting. No correlation is found between force constants fit to NMR data and those fit to X-ray data, possibly due to the inability of NMR data to accurately capture protein dynamics. Copyright © 2011 Wiley Periodicals, Inc.

Constitutive Modelling of Resins in the Compliance Domain

NASA Astrophysics Data System (ADS)

Klasztorny, M.

2004-07-01

A rheological HWKK/H model for resins is developed taking into consideration the up-to-date analyses of experimental results. Constitutive compliance equations of linear are formulated for this model in the shear/bulk form, which describes, among other things, the first-rank reversible isothermal creep. The shear (distorsional) deformations are simulated with three independent stress history functions of fractional and normal exponential types. The volume deformations are simulated as perfectly elastic. The model is described by two elastic and six viscoelastic constants, namely three long-term creep coefficients and three retardation times. The constitutive compliance equations of viscoealsticity for resins are also formulated in the coupled form. Formulae for converting the constants of shear/bulk (uncoupled) viscoelasticity into the constants of coupled viscoelasticity are given too. An algorithm for identifying the material constants, based on the creep of uniaxially tensioned bar samples, is formulated in a way that gives unique results. The material constants are fiund for Epidian 53 epoxy and Polimal 109 polyester resins. The creep processes, simulated based on the experimental data, are presented graphically for both the resins examined.

Impact buckling of thin bars in the elastic range for any end condition

NASA Technical Reports Server (NTRS)

Taub, Josef

1934-01-01

Following a qualitative discussion of the complicated process involved in a short-period, longitudinal force applied to an originally not quite straight bar, the actual process is substituted by an idealized process for the purpose of analytical treatment. The simplifications are: the assumption of an infinitely high rate of propagation of the elastic longitudinal waves in the bar, limitation to slender bars, disregard of material damping and of rotatory inertia, the assumption of consistently small elastic deformations, the assumption of cross-sectional dimensions constant along the bar axis, the assumption of a shock-load constant in time, and the assumption of eccentricities on one plane. Then follow the mathematical principles for resolving the differential equation of the simplified problem, particularly the developability of arbitrary functions with steady first and second and intermittently steady third and fourth derivatives into one convergent series, according to the natural functions of the homogeneous differential equation.

Determination of the acoustoelastic coefficient for surface acoustic waves using dynamic acoustoelastography: an alternative to static strain.

PubMed

Ellwood, R; Stratoudaki, T; Sharples, S D; Clark, M; Somekh, M G

2014-03-01

The third-order elastic constants of a material are believed to be sensitive to residual stress, fatigue, and creep damage. The acoustoelastic coefficient is directly related to these third-order elastic constants. Several techniques have been developed to monitor the acoustoelastic coefficient using ultrasound. In this article, two techniques to impose stress on a sample are compared, one using the classical method of applying a static strain using a bending jig and the other applying a dynamic stress due to the presence of an acoustic wave. Results on aluminum samples are compared. Both techniques are found to produce similar values for the acoustoelastic coefficient. The dynamic strain technique however has the advantages that it can be applied to large, real world components, in situ, while ensuring the measurement takes place in the nondestructive, elastic regime.

An original approach to elastic constants determination using a self-developed EMAT system

NASA Astrophysics Data System (ADS)

Jenot, Frédéric; Rivart, Frédéric; Camus, Liévin

2018-04-01

Electromagnetic Acoustic Transducers (EMATs) allow non-contact ultrasonic measurements in order to characterize structures for a wide range of applications. Considering non-ferromagnetic metal materials, excitation of elastic waves is due to Lorentz forces that result from an applied magnetic field and induced eddy currents in a near surface region of the sample. EMAT's design is based on a magnet structure associated with a coil leading to multiple configurations, which are able to excite bulk and guided acoustic waves. In this work, we first present a self-developed EMAT system composed of multiple emission and reception channels. In a second part, we propose an original method in order to determine the elastic constants of an isotropic material. To achieve this goal, Rayleigh and shear waves are used and the advantages of this method are clearly highlighted. The results obtained are then compared with conventional measurements achieved with piezoelectric transducers.

DFT investigations on mechanical stability, electronic structure and magnetism in Co2TaZ (Z = Al, Ga, In) heusler alloys

NASA Astrophysics Data System (ADS)

Khandy, Shakeel Ahmad; Gupta, Dinesh C.

2017-12-01

Ferromagnetic Heusler compounds have vast and imminent applications for novel devices, smart materials thanks to density functional theory (DFT) based simulations, which have scored out a new approach to study these materials. We forecast the structural stability of Co2TaZ alloys on the basis of total energy calculations and mechanical stability criteria. The elastic constants, robust spin-polarized ferromagnetism and electron densities in these half-metallic alloys are also discussed. The observed structural aspects calculated to predict the stability and equilibrium lattice parameters agree well with the experimental results. The elastic parameters like elastic constants, bulk, Young’s and shear moduli, poison’s and Pugh ratios, melting temperatures, etc have been put together to establish their mechanical properties. The elaborated electronic band structures along with indirect band gaps and spin polarization favour the application of these materials in spintronics and memory device technology.

Structural and elastic properties of La{sub 2}Mg{sub 17} from first-principles calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luo, Tao-Peng; Ma, Li; Pan, Rong-Kai

2013-10-15

Structural and elastic properties of La{sub 2}Mg{sub 17} with layer structure have been investigated within framework of the density functional theory. Different from the general layer-structured materials, the obtained c/a is less than unity. The calculated elastic constants C{sub 33} is larger than C{sub 11}, being novel in comparison with other alloys with layer structure. The calculated bulk, shear and Young’s modulus of La{sub 2}Mg{sub 17} are higher than other Mg–La alloys with higher La content, implying the stronger covalent bonding. Moreover, the elastic isotropies of La{sub 2}Mg{sub 17} are more excellent. The electronic structure within basal plane is highlymore » symmetric, and the electronic interaction within basal plane is slightly weaker than one between basal planes, which reveal the underlying mechanism for the structural and elastic properties of La{sub 2}Mg{sub 17}. - Graphical abstract: The crystal structure (a) and the atomic positions for (b) (0 0 0 2), (c) (0 0 0 4) and (d) (1 2{sup ¯} 1 0) plane of La{sub 2}Mg{sub 17}. Display Omitted - Highlights: • The c/a of La{sub 2}Mg{sub 17} is anomalously less than unity. • It is novel that for La{sub 2}Mg{sub 17} the elastic constants C{sub 33} is larger than C{sub 11}. • The elastic modulus of La{sub 2}Mg{sub 17} is higher than other Mg–La alloys. • The elastic isotropy of La{sub 2}Mg{sub 17} is excellent. • The electronic structure within basal plane is highly symmetric.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mund, H. S., E-mail: hmoond@gmail.com; Ahuja, B. L.

2016-05-23

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.

First-principles theory of iron up to earth-core pressures: Structural, vibrational, and elastic properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Soederlind, P.; Moriarty, J.A.; Wills, J.M.

1996-06-01

{ital Ab} {ital initio} electronic-structure calculations, based on density-functional theory and a full-potential linear-muffin-tin-orbital method, have been used to predict crystal-structure phase stabilities, elastic constants, and Brillouin-zone-boundary phonons for iron under compression. Total energies for five crystal structures, bcc, fcc, bct, hcp, and dhcp, have been calculated over a wide volume range. In agreement with experiment and previous theoretical calculations, a magnetic bcc ground state is obtained at ambient pressure and a nonmagnetic hcp ground state is found at high pressure, with a predicted bcc {r_arrow} hcp phase transition at about 10 GPa. Also in agreement with very recent diamond-anvil-cellmore » experiments, a metastable dhcp phase is found at high pressure, which remains magnetic and consequently accessible at high temperature up to about 50 GPa. In addition, the bcc structure becomes mechanically unstable at pressures above 2 Mbar (200 GPa) and a metastable, but still magnetic, bct phase ({ital c}/{ital a} {approx_equal} 0.875) develops. For high-pressure nonmagnetic iron, fcc and hcp elastic constants and fcc phonon frequencies have been calculated to above 4 Mbar. These quantities rise smoothly with pressure, but an increasing tendency towards elastic anisotropy as a function of compression is observed, and this has important implications for the solid inner-core of the earth. The fcc elastic-constant and phonon data have also been used in combination with generalized pseudopotential theory to develop many-body interatomic potentials, from which high-temperature thermodynamic properties and melting can be obtained. In this paper, these potentials have been used to calculate full fcc and hcp phonon spectra and corresponding Debye temperatures as a function of compression. {copyright} {ital 1996 The American Physical Society.}« less

The influence of transition metal solutes on the dislocation core structure and values of the Peierls stress and barrier in tungsten

NASA Astrophysics Data System (ADS)

Samolyuk, G. D.; Osetsky, Y. N.; Stoller, R. E.

2013-01-01

Several transition metals were examined to evaluate their potential for improving the ductility of tungsten. The dislocation core structure and Peierls stress and barrier of 1/2<111> screw dislocations in binary tungsten-transition metal alloys (W1-xTMx) were investigated using density functional theory calculations. The periodic quadrupole approach was applied to model the structure of the 1/2<111> dislocation. Alloying with transition metals was modeled using the virtual crystal approximation and the applicability of this approach was assessed by calculating the equilibrium lattice parameter and elastic constants of the tungsten alloys. Reasonable agreement was obtained with experimental data and with results obtained from the conventional supercell approach. Increasing the concentration of a transition metal from the VIIIA group, i.e. the elements in columns headed by Fe, Co and Ni, leads to reduction of the C‧ elastic constant and increase of the elastic anisotropy A = C44/C‧. Alloying W with a group VIIIA transition metal changes the structure of the dislocation core from symmetric to asymmetric, similarly to results obtained for W1-xRex alloys in the earlier work of Romaner et al (2010 Phys. Rev. Lett. 104 195503). In addition to a change in the core symmetry, the values of the Peierls stress and barrier are reduced. The latter effect could lead to increased ductility in a tungsten-based alloy. Our results demonstrate that alloying with any of the transition metals from the VIIIA group should have a similar effect to alloying with Re.

High Pressure Elastic Constants of High-Pressure Iron Analog Osmium

NASA Astrophysics Data System (ADS)

Godwal, B. K.; Geballe, Z.; Jeanloz, R.

2011-12-01

Understanding the elasticity of hcp iron is important both for ascertaining the stable phase and for explaining the observed seismic anomalies of Earth's inner core. A systematic experimental study of analog materials is warranted because experiments at inner-core conditions remain exceptionally challenging and theory has yielded conflicting results for iron. The deformation of hexagonal close-packed (hcp) Os, an analog for the high-pressure hcp form of Fe, has been characterized under non-hydrostatic stresses using synchrotron-based angular-dispersive radial x-ray diffraction to pressures of 60 GPa at room temperature. Starting with published ultrasonic values of elastic constants and previous measurements of linear and volume compressibilities, we estimate the single-crystal elasticity tensor of osmium to 60 GPa and find that the crystal orientation with the largest shear modulus, (002), accommodates the largest shear stress (10 GPa) and a differential strain surpassing the Voigt iso-strain limit. We find the conventional elastic model, bounded by Reuss (iso-stress) and Voigt limits, inadequate for explaining our measurements. Instead, we infer that plastic deformation limits the amount of shear stress supported by the crystal planes near the a-axis, causing the more elastically strong c-axis to support the majority of the differential strain. This conclusion is consistent with the elasto-plastic self-consistent approach used to model the effect of plasticity on the high-pressure deformation of hcp-Co (Merkel et al, PRB 79, 064110 (2009)). Importantly, we document a strength anisotropy so large that the Voigt (elastic) limit is clearly surpassed.

Actin filaments growing against an elastic membrane: Effect of membrane tension

NASA Astrophysics Data System (ADS)

Sadhu, Raj Kumar; Chatterjee, Sakuntala

2018-03-01

We study the force generation by a set of parallel actin filaments growing against an elastic membrane. The elastic membrane tries to stay flat and any deformation from this flat state, either caused by thermal fluctuations or due to protrusive polymerization force exerted by the filaments, costs energy. We study two lattice models to describe the membrane dynamics. In one case, the energy cost is assumed to be proportional to the absolute magnitude of the height gradient (gradient model) and in the other case it is proportional to the square of the height gradient (Gaussian model). For the gradient model we find that the membrane velocity is a nonmonotonic function of the elastic constant μ and reaches a peak at μ =μ* . For μ <μ* the system fails to reach a steady state and the membrane energy keeps increasing with time. For the Gaussian model, the system always reaches a steady state and the membrane velocity decreases monotonically with the elastic constant ν for all nonzero values of ν . Multiple filaments give rise to protrusions at different regions of the membrane and the elasticity of the membrane induces an effective attraction between the two protrusions in the Gaussian model which causes the protrusions to merge and a single wide protrusion is present in the system. In both the models, the relative time scale between the membrane and filament dynamics plays an important role in deciding whether the shape of elasticity-velocity curve is concave or convex. Our numerical simulations agree reasonably well with our analytical calculations.

A Gradient Taguchi Method for Engineering Optimization

NASA Astrophysics Data System (ADS)

Hwang, Shun-Fa; Wu, Jen-Chih; He, Rong-Song

2017-10-01

To balance the robustness and the convergence speed of optimization, a novel hybrid algorithm consisting of Taguchi method and the steepest descent method is proposed in this work. Taguchi method using orthogonal arrays could quickly find the optimum combination of the levels of various factors, even when the number of level and/or factor is quite large. This algorithm is applied to the inverse determination of elastic constants of three composite plates by combining numerical method and vibration testing. For these problems, the proposed algorithm could find better elastic constants in less computation cost. Therefore, the proposed algorithm has nice robustness and fast convergence speed as compared to some hybrid genetic algorithms.

Determination of the reduced matrix of the piezoelectric, dielectric, and elastic material constants for a piezoelectric material with C∞ symmetry.

PubMed

Sherrit, Stewart; Masys, Tony J; Wiederick, Harvey D; Mukherjee, Binu K

2011-09-01

We present a procedure for determining the reduced piezoelectric, dielectric, and elastic coefficients for a C(∞) material, including losses, from a single disk sample. Measurements have been made on a Navy III lead zirconate titanate (PZT) ceramic sample and the reduced matrix of coefficients for this material is presented. In addition, we present the transform equations, in reduced matrix form, to other consistent material constant sets. We discuss the propagation of errors in going from one material data set to another and look at the limitations inherent in direct calculations of other useful coefficients from the data.

Phonon dispersion relation of Mg-Cu-Gd bulk metallic glasses

NASA Astrophysics Data System (ADS)

Suthar, P. H.

2016-05-01

Collective dynamics and elastic constants of bulk metallic glasses Mg65Cu25Gd10 and Mg60Cu25Gd15 are computed using the Hubbard -Beeby approach and our well recognized model potential. The important ingredients in the present study are the pair potential and local field correction functions (LFCF). The local field correction functions due to Hartree (H), Farid et al (F) and Sarkar Sen et al (S) are employed to investigation the influence of the screening effects on the longitudinal and traversed of phonon modes of glassy system. The results for the elastic constants are found to be in good agreement with experimental data.

An all-organic composite actuator material with a high dielectric constant.

PubMed

Zhang, Q M; Li, Hengfeng; Poh, Martin; Xia, Feng; Cheng, Z-Y; Xu, Haisheng; Huang, Cheng

2002-09-19

Electroactive polymers (EAPs) can behave as actuators, changing their shape in response to electrical stimulation. EAPs that are controlled by external electric fields--referred to here as field-type EAPs--include ferroelectric polymers, electrostrictive polymers, dielectric elastomers and liquid crystal polymers. Field-type EAPs can exhibit fast response speeds, low hysteresis and strain levels far above those of traditional piezoelectric materials, with elastic energy densities even higher than those of piezoceramics. However, these polymers also require a high field (>70 V micro m(-1)) to generate such high elastic energy densities (>0.1 J cm(-3); refs 4, 5, 9, 10). Here we report a new class of all-organic field-type EAP composites, which can exhibit high elastic energy densities induced by an electric field of only 13 V micro m(-1). The composites are fabricated from an organic filler material possessing very high dielectric constant dispersed in an electrostrictive polymer matrix. The composites can exhibit high net dielectric constants while retaining the flexibility of the matrix. These all-organic actuators could find applications as artificial muscles, 'smart skins' for drag reduction, and in microfluidic systems for drug delivery.

Numerical study of the electronic structure, elastic and optical properties of defect quaternary semiconductor CuGaSnSe4

NASA Astrophysics Data System (ADS)

Shen, Kesheng; Lu, Hai; Zhang, Xianzhou; Jiao, Zhaoyong

2018-06-01

The electronic structure, elastic and optical properties of the defect quaternary semiconductor CuGaSnSe4 in I 4 bar structure are systematically investigated using first-principles calculations. We summarize and discuss some of the studies on CuGaSnSe4 in partially ordered chalcopyrite structure and find that there are three atomic arrangements so far, but it is still uncertain which is the most stable. Through detailed simulation and comparison with the corresponding literature, we get three models and predict that M1 model should be the most stable. The band structure and optical properties of compound CuGaSnSe4, including dielectric constant, refractive index and absorption spectrum, are drawn for a more intuitive understanding. The elastic constants are also calculated, which not only prove that CuGaSnSe4 in I 4 bar structure is stable naturally but also help solve the problem of no data to accurately predict axial thermal expansion coefficients. The calculated values of the zero frequency dielectric constant and refractive index are comparable to those of the corresponding chalcopyrite structure but slightly larger.

High-pressure elastic properties of major materials of Earth's mantle from first principles

NASA Astrophysics Data System (ADS)

Karki, Bijaya B.; Stixrude, Lars; Wentzcovitch, Renata M.

2001-11-01

The elasticity of materials is important for our understanding of processes ranging from brittle failure, to flexure, to the propagation of elastic waves. Seismologically revealed structure of the Earth's mantle, including the radial (one-dimensional) profile, lateral heterogeneity, and anisotropy are determined largely by the elasticity of the materials that make up this region. Despite its importance to geophysics, our knowledge of the elasticity of potentially relevant mineral phases at conditions typical of the Earth's mantle is still limited: Measuring the elastic constants at elevated pressure-temperature conditions in the laboratory remains a major challenge. Over the past several years, another approach has been developed based on first-principles quantum mechanical theory. First-principles calculations provide the ideal complement to the laboratory approach because they require no input from experiment; that is, there are no free parameters in the theory. Such calculations have true predictive power and can supply critical information including that which is difficult to measure experimentally. A review of high-pressure theoretical studies of major mantle phases shows a wide diversity of elastic behavior among important tetrahedrally and octahedrally coordinated Mg and Ca silicates and Mg, Ca, Al, and Si oxides. This is particularly apparent in the acoustic anisotropy, which is essential for understanding the relationship between seismically observed anisotropy and mantle flow. The acoustic anisotropy of the phases studied varies from zero to more than 50% and is found to depend on pressure strongly, and in some cases nonmonotonically. For example, the anisotropy in MgO decreases with pressure up to 15 GPa before increasing upon further compression, reaching 50% at a pressure of 130 GPa. Compression also has a strong effect on the elasticity through pressure-induced phase transitions in several systems. For example, the transition from stishovite to CaCl2 structure in silica is accompanied by a discontinuous change in the shear (S) wave velocity that is so large (60%) that it may be observable seismologically. Unifying patterns emerge as well: Eulerian finite strain theory is found to provide a good description of the pressure dependence of the elastic constants for most phases. This is in contrast to an evaluation of Birch's law, which shows that this systematic accounts only roughly for the effect of pressure, composition, and structure on the longitudinal (P) wave velocity. The growing body of theoretical work now allows a detailed comparison with seismological observations. The athermal elastic wave velocities of most important mantle phases are found to be higher than the seismic wave velocities of the mantle by amounts that are consistent with the anticipated effects of temperature and iron content on the P and S wave velocities of the phases studied. An examination of future directions focuses on strategies for extending first-principles studies to more challenging but geophysically relevant situations such as solid solutions, high-temperature conditions, and mineral composites.

Comparison of Kinematics and Muscle Activation in Free-Weight Back Squat With and Without Elastic Bands.

PubMed

Saeterbakken, Atle H; Andersen, Vidar; van den Tillaar, Roland

2016-04-01

The purpose of the study was to compare kinematic muscle activation when performing 6 repetition maximum (6RM) squats using constant (free weights) or variable resistance (free weights + elastic bands). Twenty recreationally trained women were recruited with 4.6 ± 2.1 years of resistance training experience and a relative strength (6RM/body mass) of 1.1. After a familiarization session identifying the 6RM loads, the participants performed 6RM squats using constant and variable resistance in a randomized order. The total resistance in the variable resistance group was similar to the constant resistance in the presticking region (98%), but greater in the sticking region (105%) and the poststicking region (113%). In addition, the presticking barbell velocity was 21.0% greater using variable than constant resistance, but 22.8% lower in the poststicking region. No significant differences in muscle electromyographic activity, time occurrence, and vertical displacement between the squat modalities were observed, except for higher barbell displacement poststicking using variable resistance. It was concluded that, due to differences in total resistance in the different regions performing variable compared with constant resistance, greater barbell velocity was observed in the presticking region and lower resistance was observed in the poststicking region. However, the extra resistance in the sticking and poststicking regions during the variable resistance modality did not cause increased muscle activity. When performing squats with heavy resistance, the authors recommend using variable resistance, but we suggest increasing the percentage resistance from the elastic bands or using chains.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nagakubo, A.; Ogi, H., E-mail: ogi@me.es.osaka-u.ac.jp; Hirao, M.

Nano-polycrystalline boron nitride (BN) is expected to replace diamond as a superhard and superstiff material. Although its hardening was reported, its elasticity remains unclear and the as-measured hardness could be significantly different from the true value due to the elastic recovery. In this study, we measured the longitudinal-wave elastic constant of nano-polycrystalline BNs using picosecond ultrasound spectroscopy and confirmed the elastic softening for small-grain BNs. We also measured Vickers and Knoop hardness for the same specimens and clarified the relationship between hardness and stiffness. The Vickers hardness significantly increased as the grain size decreased, while the Knoop hardness remained nearlymore » unchanged. We attribute the apparent increase in Vickers hardness to the elastic recovery and propose a model to support this insight.« less

Emergence of linear elasticity from the atomistic description of matter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cakir, Abdullah, E-mail: acakir@ntu.edu.sg; Pica Ciamarra, Massimo; Dipartimento di Scienze Fisiche, CNR–SPIN, Università di Napoli Federico II, I-80126 Napoli

2016-08-07

We investigate the emergence of the continuum elastic limit from the atomistic description of matter at zero temperature considering how locally defined elastic quantities depend on the coarse graining length scale. Results obtained numerically investigating different model systems are rationalized in a unifying picture according to which the continuum elastic limit emerges through a process determined by two system properties, the degree of disorder, and a length scale associated to the transverse low-frequency vibrational modes. The degree of disorder controls the emergence of long-range local shear stress and shear strain correlations, while the length scale influences the amplitude of themore » fluctuations of the local elastic constants close to the jamming transition.« less

Analysis of the axisymmetric indentation of a semi-infinite piezoelectric material: The evaluation of the contact stiffness and the effective piezoelectric constant

NASA Astrophysics Data System (ADS)

Yang, Fuqian

2008-04-01

A general solution of the axisymmetric indentation is obtained in the closed form for a semi-infinite, transverse isotropic piezoelectric material by a rigid-conducting indenter of arbitrary-axisymmetric profile. Explicit relationships are derived for dependences of the indentation depth and the indentation-induced charge on indentation force and applied electrical potential. Simple formulas are obtained for contact stiffness and effective piezoelectric constant, which can be used in indentation test and piezoresponse force microscopy to analyze the elastic and piezoelectric responses of piezoelectric materials. Depending on the direction of electric field (the potential difference), the electric field can either increase or suppress indentation deformation. The corresponding results are given for cylindrical, conical, and paraboloidal indenters.

Elastic and Photoelastic Properties of M(NO3)2, MO (M = Mg, Ca, Sr, Ba)

NASA Astrophysics Data System (ADS)

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.

Microscopic Modeling of Tribological Phenomena

DTIC Science & Technology

1990-02-28

37,4132 (1988). cohesive energy and lattice constant of nickel (t, -3.54 X 10- 󈧑 erg, ’This interface orientation was chosen in view ofour previous...such as lattice constants, heats of sublimation, elastic constants, vacancy-formation energies and heats of solution (47]. Following equilibration of...of the tip and 10 substrate materials to optimize their embedding energies (which are density dependent, deriving froam the tails of the atomic

Elastic-wave velocity in marine sediments with gas hydrates: Effective medium modeling

USGS Publications Warehouse

Helgerud, M.B.; Dvorkin, J.; Nur, A.; Sakai, A.; Collett, T.

1999-01-01

We offer a first-principle-based effective medium model for elastic-wave velocity in unconsolidated, high porosity, ocean bottom sediments containing gas hydrate. The dry sediment frame elastic constants depend on porosity, elastic moduli of the solid phase, and effective pressure. Elastic moduli of saturated sediment are calculated from those of the dry frame using Gassmann's equation. To model the effect of gas hydrate on sediment elastic moduli we use two separate assumptions: (a) hydrate modifies the pore fluid elastic properties without affecting the frame; (b) hydrate becomes a component of the solid phase, modifying the elasticity of the frame. The goal of the modeling is to predict the amount of hydrate in sediments from sonic or seismic velocity data. We apply the model to sonic and VSP data from ODP Hole 995 and obtain hydrate concentration estimates from assumption (b) consistent with estimates obtained from resistivity, chlorinity and evolved gas data. Copyright 1999 by the American Geophysical Union.

Study of grain-level deformation and residual stresses in Ti-7Al under combined bending and tension using high energy diffraction microscopy (HEDM)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chatterjee, K.; Venkataraman, A.; Garbaciak, T.

In-situ high energy diffraction microscopy (HEDM) experiments are carried out to analyze the state of combined bending and tension in a Ti-7Al alloy under room temperature creep. Grain-level elastic strain tensors are evaluated from HEDM data. Atomistic calculations are used to predict elastic constants of Ti-7Al, to be used in determination of stress from strain. The stress gradient and residual stresses are successfully determined, which allows the demarcation between macro-/micro-level residual stresses. A cluster of three neighboring grains are identified that highlight the variation of mean and effective stress between grains. Crystallographic orientations and slip characteristics are analyzed for themore » selected grains. It is inferred that the interfaces between loaded grains with markedly different stress triaxiality and slip tendency are potential spots for material damage.« less

An analytical approach to the external force-free motion of pendulums on surfaces of constant curvature

NASA Astrophysics Data System (ADS)

Rubio, Rafael M.; Salamanca, Juan J.

2018-07-01

The dynamics of external force free motion of pendulums on surfaces of constant Gaussian curvature is addressed when the pivot moves along a geodesic obtaining the Lagrangian of the system. As an application it is possible the study of elastic and quantum pendulums.

Simple quasi-analytical holonomic homogenization model for the non-linear analysis of in-plane loaded masonry panels: Part 1, meso-scale

NASA Astrophysics Data System (ADS)

Milani, G.; Bertolesi, E.

2017-07-01

A simple quasi analytical holonomic homogenization approach for the non-linear analysis of masonry walls in-plane loaded is presented. The elementary cell (REV) is discretized with 24 triangular elastic constant stress elements (bricks) and non-linear interfaces (mortar). A holonomic behavior with softening is assumed for mortar. It is shown how the mechanical problem in the unit cell is characterized by very few displacement variables and how homogenized stress-strain behavior can be evaluated semi-analytically.

Longitudinal Relaxation of Ferromagnetic Grains

NASA Astrophysics Data System (ADS)

Würger, Alois

1998-07-01

We study the activated longitudinal dynamics of a small single-domain magnet with uniaxial anisotropy, coupled to quantum noise. The smallest finite eigenvalue λ1 = γ0e-EB/kBT of the relaxation matrix is evaluated in a controlled approximation. For white noise we find γ0~T-1 at moderate temperatures and γ0 = const at very low T. Coupling to elastic waves leads to a prefactor that is linear in T or constant, depending on temperature. At very low T, the discreteness of the energy spectrum is crucial.

Evaluation of mechanical and transport properties of Zr2CoSi Heusler alloy

NASA Astrophysics Data System (ADS)

Yousuf, Saleem; Khandy, S. A.; Bhat, T. M.; Gupta, D. C.

2017-05-01

Systematic investigation of mechanical and transport properties of Zr2CoSi within the density functional theory have been analysed. From the elastic constants, the shear modulus, Young's modulus, Poisson's ratio, we conclude the ductile nature of alloy. Thermoelectric properties show that Zr2CoSi as an n-type thermoelectric material with a higher increase in Seebeck coefficient with temperature. Further the power factor analysis confirms the heavily doping of the alloy fruitful for increase in thermoelectric performance and its use for the future thermoelectric spin generators.

Acoustic Radiation Force-Induced Creep-Recovery (ARFICR): A Noninvasive Method to Characterize Tissue Viscoelasticity.

PubMed

Amador Carrascal, Carolina; Chen, Shigao; Urban, Matthew W; Greenleaf, James F

2018-01-01

Ultrasound shear wave elastography is a promising noninvasive, low cost, and clinically viable tool for liver fibrosis staging. Current shear wave imaging technologies on clinical ultrasound scanners ignore shear wave dispersion and use a single group velocity measured over the shear wave bandwidth to estimate tissue elasticity. The center frequency and bandwidth of shear waves induced by acoustic radiation force depend on the ultrasound push beam (push duration, -number, etc.) and the viscoelasticity of the medium, and therefore are different across scanners from different vendors. As a result, scanners from different vendors may give different tissue elasticity measurements within the same patient. Various methods have been proposed to evaluate shear wave dispersion to better estimate tissue viscoelasticity. A rheological model such as the Kelvin-Voigt model is typically fitted to the shear wave dispersion to solve for the elasticity and viscosity of tissue. However, these rheological models impose strong assumptions about frequency dependence of elasticity and viscosity. Here, we propose a new method called Acoustic Radiation Force Induced Creep-Recovery (ARFICR) capable of quantifying rheological model-independent measurements of elasticity and viscosity for more robust tissue health assessment. In ARFICR, the creep-recovery time signal at the focus of the push beam is used to calculate the relative elasticity and viscosity (scaled by an unknown constant) over a wide frequency range. Shear waves generated during the ARFICR measurement are also detected and used to calculate the shear wave velocity at its center frequency, which is then used to calibrate the relative elasticity and viscosity to absolute elasticity and viscosity. In this paper, finite-element method simulations and experiments in tissue mimicking phantoms are used to validate and characterize the extent of viscoelastic quantification of ARFICR. The results suggest that ARFICR can measure tissue viscoelasticity reliably. Moreover, the results showed the strong frequency dependence of viscoelastic parameters in tissue mimicking phantoms and healthy liver.

The Pressure Dependence of Structural, Electronic, Mechanical, Vibrational, and Thermodynamic Properties of Palladium-Based Heusler Alloys

NASA Astrophysics Data System (ADS)

Çoban, Cansu

2017-08-01

The pressure dependent behaviour of the structural, electronic, mechanical, vibrational, and thermodynamic properties of Pd2TiX (X=Ga, In) Heusler alloys was investigated by ab initio calculations. The lattice constant, the bulk modulus and its first pressure derivative, the electronic band structure and the density of states (DOS), mechanical properties such as elastic constants, anisotropy factor, Young's modulus, etc., the phonon dispersion curves and phonon DOS, entropy, heat capacity, and free energy were obtained under pressure. It was determined that the calculated lattice parameters are in good agreement with the literature, the elastic constants obey the stability criterion, and the phonon dispersion curves have no negative frequency which shows that the compounds are stable. The band structures at 0, 50, and 70 GPa showed valence instability at the L point which explains the superconductivity in Pd2TiX (X=Ga, In).

Aggregate linear properties of ferroelectric ceramics and polycrystalline thin films: Calculation by the method of effective piezoelectric medium

NASA Astrophysics Data System (ADS)

Pertsev, N. A.; Zembilgotov, A. G.; Waser, R.

1998-08-01

The effective dielectric, piezoelectric, and elastic constants of polycrystalline ferroelectric materials are calculated from single-crystal data by an advanced method of effective medium, which takes into account the piezoelectric interactions between grains in full measure. For bulk BaTiO3 and PbTiO3 polarized ceramics, the dependences of material constants on the remanent polarization are reported. Dielectric and elastic constants are computed also for unpolarized c- and a-textured ferroelectric thin films deposited on cubic or amorphous substrates. It is found that the dielectric properties of BaTiO3 and PbTiO3 polycrystalline thin films strongly depend on the type of crystal texture. The influence of two-dimensional clamping by the substrate on the dielectric and piezoelectric responses of polarized films is described quantitatively and shown to be especially important for the piezoelectric charge coefficient of BaTiO3 films.

Generalized rules for the optimization of elastic network models

NASA Astrophysics Data System (ADS)

Lezon, Timothy; Eyal, Eran; Bahar, Ivet

2009-03-01

Elastic network models (ENMs) are widely employed for approximating the coarse-grained equilibrium dynamics of proteins using only a few parameters. An area of current focus is improving the predictive accuracy of ENMs by fine-tuning their force constants to fit specific systems. Here we introduce a set of general rules for assigning ENM force constants to residue pairs. Using a novel method, we construct ENMs that optimally reproduce experimental residue covariances from NMR models of 68 proteins. We analyze the optimal interactions in terms of amino acid types, pair distances and local protein structures to identify key factors in determining the effective spring constants. When applied to several unrelated globular proteins, our method shows an improved correlation with experiment over a standard ENM. We discuss the physical interpretation of our findings as well as its implications in the fields of protein folding and dynamics.

Defects in Nonlinear Elastic Crystals: Differential Geometry, Finite Kinematics, and Second-Order Analytical Solutions

DTIC Science & Technology

2015-04-01

of unit length: da = F L a αδ α Ad A , da = F L−1αaδ A α dA . (2.12) The metric tensor associated with the deformed... A spatial density tensor θ and Frank vector ω̂ of the following forms are consistent with geometry of the problem: θ = θzzgz ⊗ gz = ω̂δ(r)gz ⊗ gz = δ...stress depends quadratically on strain, with the elastic potential cubic in strain and including elastic constants of

ELATE: an open-source online application for analysis and visualization of elastic tensors

NASA Astrophysics Data System (ADS)

Gaillac, Romain; Pullumbi, Pluton; Coudert, François-Xavier

2016-07-01

We report on the implementation of a tool for the analysis of second-order elastic stiffness tensors, provided with both an open-source Python module and a standalone online application allowing the visualization of anisotropic mechanical properties. After describing the software features, how we compute the conventional elastic constants and how we represent them graphically, we explain our technical choices for the implementation. In particular, we focus on why a Python module is used to generate the HTML web page with embedded Javascript for dynamical plots.

Elastic anomalies associated with two successive transitions of PrV2Al20 probed by ultrasound measurements

NASA Astrophysics Data System (ADS)

Nakanishi, Y.; Taniguchi, M.; Nakamura, M. M.; Hasegawa, J.; Ohyama, R.; Nakamura, M.; Yoshizawa, M.; Tsujimoto, M.; Nakatsuji, S.

2018-05-01

We have performed the ultrasound measurement on the non-Kramers doublet system PrV2Al20 in order to figure out the low-temperature multi-quadrupolar phase appearing at low temperatures. Elastic anomalies and their systematic magnetic field evolution were clearly observed in the temperature dependence of the elastic constant C44(T). We discuss the possible origin and implications of the rich variety of phases emerging from the simple ground state: the well-isolated non-Kramers doublet Γ3 subspace.

Light-scattering study of a polymer nematic liquid crystal

NASA Astrophysics Data System (ADS)

Taratuta, Victor G.; Hurd, Alan J.; Meyer, Robert B.

1985-07-01

We study the relaxation of thermally excited orientation fluctuations in a polymer nematic liquid crystal using photon correlation spectroscopy. The material studied is poly-γ-benzyl glutamate at a concentration just above the isotropic to nematic transition point. The relaxation rates of elastic deformation modes exhibit large anisotropies. Quantitative measurements of ratios of Frank elastic constants and Leslie viscosities are described.

A Simple Experiment for Determining the Elastic Constant of a Fine Wire

ERIC Educational Resources Information Center

Freeman, W. Larry; Freda, Ronald F.

2007-01-01

Many general physics laboratories involve the use of springs to demonstrate Hooke's law, and much ado is made about how this can be used as a model for describing the elastic characteristics of materials at the molecular or atomic level. In recent years, the proliferation of computers, and appropriate sensors, have made it possible to demonstrate…

Gigahertz acoustic vibrations of elastically anisotropic Indium–tin-oxide nanorod arrays [Gigahertz modulation of the full visible spectrum via acoustic vibrations of elastically anisotropic Indium-tin-oxide nanorod arrays

DOE PAGES

Guo, Peijun; Schaller, Richard D.; Ocola, Leonidas E.; ...

2016-08-15

Active control of light is important for photonic integrated circuits, optical switches,. and telecommunications. Coupling light with acoustic vibrations in nanoscale optical resonators offers optical modulation capabilities with high bandwidth and Small footprint Instead of using noble metals, here we introduce indium tin-oxide nanorod arrays (ITO-NRAs) as the operating media;and demonstrate optical modulation covering the visible spectral range (from 360 to 700 nm), with similar to 20 GHz bandwidth through the excitation of coherent acoustic vibrations in ITO-NRAs. This broadband modulation results from the collective optical diffraction by the dielectric ITO-NRAs, and a high differential transmission modulation up to 10%more » is achieved through efficient near-infrared, on-plasmon-resonance pumping. By combining the frequency signatures Of the vibrational modes with finite-element simulations, we,further determine the anisotropic elastic constants for single-crystalline ITO, which are not known-for the bulk phase. Furthermore, this technique to determine elastic constants using Coherent acoustic vibrations of uniform nanostructures can be generalized to the study of other inorganic materials.« less

Gigahertz acoustic vibrations of elastically anisotropic Indium–tin-oxide nanorod arrays [Gigahertz modulation of the full visible spectrum via acoustic vibrations of elastically anisotropic Indium-tin-oxide nanorod arrays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guo, Peijun; Schaller, Richard D.; Ocola, Leonidas E.

Active control of light is important for photonic integrated circuits, optical switches,. and telecommunications. Coupling light with acoustic vibrations in nanoscale optical resonators offers optical modulation capabilities with high bandwidth and Small footprint Instead of using noble metals, here we introduce indium tin-oxide nanorod arrays (ITO-NRAs) as the operating media;and demonstrate optical modulation covering the visible spectral range (from 360 to 700 nm), with similar to 20 GHz bandwidth through the excitation of coherent acoustic vibrations in ITO-NRAs. This broadband modulation results from the collective optical diffraction by the dielectric ITO-NRAs, and a high differential transmission modulation up to 10%more » is achieved through efficient near-infrared, on-plasmon-resonance pumping. By combining the frequency signatures Of the vibrational modes with finite-element simulations, we,further determine the anisotropic elastic constants for single-crystalline ITO, which are not known-for the bulk phase. Furthermore, this technique to determine elastic constants using Coherent acoustic vibrations of uniform nanostructures can be generalized to the study of other inorganic materials.« less

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

NASA Technical Reports Server (NTRS)

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

2001-01-01

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

Elasticity and wave velocity in fcc iron (austenite) at elevated temperatures - Experimental verification of ab-initio calculations.

PubMed

Hutchinson, Bevis; Malmström, Mikael; Lönnqvist, Johan; Bate, Pete; Ehteshami, Hossein; Korzhavyi, Pavel A

2018-07-01

High temperature crystal elasticity constants for face centred cubic austenite are important for interpreting the ultrasonic properties of iron and steels but cannot be determined by normal single crystal methods. Values of these constants have recently been calculated using an ab-initio approach and the present work was carried out to test their applicability using laser-ultrasonic measurements. Steel samples having a known texture were examined at temperatures between 800 °C and 1100 °C to measure the velocity of longitudinal P-waves which were found to be in good agreement with modelled values. Copyright © 2018 Elsevier B.V. All rights reserved.

Elastic-Plastic Finite Element Analysis of Fatigue Crack Growth in Mode 1 and Mode 2 Conditions

NASA Technical Reports Server (NTRS)

Nakagaki, M.; Atluri, S. N.

1978-01-01

Presented is an alternate cost-efficient and accurate elastic-plastic finite element procedure to analyze fatigue crack closure and its effects under general spectrum loading. Both Modes 1 and 2 type cycling loadings are considered. Also presented are the results of an investigation, using the newly developed procedure, of various factors that cause crack growth acceleration or retardation and delay effects under high-to-low, low-to-high, single overload, and constant amplitude type cyclic loading in a Mode 1 situation. Further, the results of an investigation of a centercracked panel under external pure shear (Mode 2) cyclic loading, of constant amplitude, are reported.

Metastable phases of silver and gold in hexagonal structure

NASA Astrophysics Data System (ADS)

Jona, F.; Marcus, P. M.

2004-07-01

Metastable phases of silver and gold in hexagonal close-packed structures are investigated by means of first-principles total-energy calculations. Two different methods are employed to find the equilibrium states: determination of the minima along the hexagonal epitaxial Bain path, and direct determination of minima of the total energy by a new minimum-path procedure. Both metals have two equilibrium states at different values of the hexagonal axial ratio c/a. For both metals, the elastic constants show that the high-c/a states are stable, hence, since the ground states are face-centred cubic, these states represent hexagonal close-packed metastable phases. The elastic constants of the low-c/a states show that they are unstable.

Muscle activity during leg strengthening exercise using free weights and elastic resistance: effects of ballistic vs controlled contractions.

PubMed

Jakobsen, Markus Due; Sundstrup, Emil; Andersen, Christoffer H; Aagaard, Per; Andersen, Lars L

2013-02-01

The present study's aim was to evaluate muscle activity during leg exercises using elastic vs. isoinertial resistance at different exertion and loading levels, respectively. Twenty-four women and eighteen men aged 26-67 years volunteered to participate in the experiment. Electromyographic (EMG) activity was recorded in nine muscles during a standardized forward lunge movement performed with dumbbells and elastic bands during (1) ballistic vs. controlled exertion, and (2) at low, medium and high loads (33%, 66% and 100% of 10 RM, respectively). The recorded EMG signals were normalized to MVC EMG. Knee joint angle was measured using electronic inclinometers. The following results were obtained. Loading intensity affected EMG amplitude in the order: low

Elastic properties and fracture strength of quasi-isotropic graphite/epoxy composites

NASA Technical Reports Server (NTRS)

Sullivan, T. L.

1977-01-01

A research program is described which was devised to determine experimentally the elastic properties in tension and bending of quasi-isotropic laminates made from high-modulus graphite fiber and epoxy. Four laminate configurations were investigated, and determinations were made of the tensile modulus, Poisson's ratio, bending stiffness, fracture strength, and fracture strain. The measured properties are compared with those predicted by laminate theory, reasons for scatter in the experimental data are discussed, and the effect of fiber misalignment on predicted elastic tensile properties is examined. The results strongly suggest that fiber misalignment in combination with variation in fiber volume content is responsible for the scatter in both elastic constants and fracture strength.

Structural and elastic properties of AIBIIIC 2 VI semiconductors

NASA Astrophysics Data System (ADS)

Kumar, V.; Singh, Bhanu P.

2018-01-01

The plane wave pseudo-potential method within density functional theory has been used to calculate the structural and elastic properties of AIBIIIC 2 VI semiconductors. The electronic band structure, density of states, lattice constants (a and c), internal parameter (u), tetragonal distortion (η), energy gap (Eg), and bond lengths of the A-C (dAC) and B-C (dBC) bonds in AIBIIIC 2 VI semiconductors have been calculated. The values of elastic constants (Cij), bulk modulus (B), shear modulus (G), Young's modulus (Y), Poisson's ratio (υ), Zener anisotropy factor (A), Debye temperature (ϴD) and G/B ratio have also been calculated. The values of all 15 parameters of CuTlS2 and CuTlSe2 compounds, and 8 parameters of 20 compounds of AIBIIIC 2 VI family, except AgInS2 and AgInSe2, have been calculated for the first time. Reasonably good agreement has been obtained between the calculated, reported and available experimental values.

Modeling of monolayer charge-stabilized colloidal crystals with static hexagonal crystal lattice

NASA Astrophysics Data System (ADS)

Nagatkin, A. N.; Dyshlovenko, P. E.

2018-01-01

The mathematical model of monolayer colloidal crystals of charged hard spheres in liquid electrolyte is proposed. The particles in the monolayer are arranged into the two-dimensional hexagonal crystal lattice. The model enables finding elastic constants of the crystals from the stress-strain dependencies. The model is based on the nonlinear Poisson-Boltzmann differential equation. The Poisson-Boltzmann equation is solved numerically by the finite element method for any spatial configuration. The model has five geometrical and electrical parameters. The model is used to study the crystal with particles comparable in size with the Debye length of the electrolyte. The first- and second-order elastic constants are found for a broad range of densities. The model crystal turns out to be stable relative to small uniform stretching and shearing. It is also demonstrated that the Cauchy relation is not fulfilled in the crystal. This means that the pair effective interaction of any kind is not sufficient to proper model the elasticity of colloids within the one-component approach.

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

PubMed

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

2016-07-01

The laser ultrasonic generation of Rayleigh surface wave and longitudinal wave in an elastic plate is studied by experiment and finite element method. In order to eliminate the measurement error and the time delay of the experimental system, the linear fitting method of experimental data is applied. The finite element analysis software ABAQUS is used to simulate the propagation of Rayleigh surface wave and longitudinal wave caused by laser excitation on a sheet metal sample surface. The equivalent load method is proposed and applied. The pulsed laser is equivalent to the surface load in time and space domain to meet the Gaussian profile. The relationship between the physical parameters of the laser and the load is established by the correction factor. The numerical solution is in good agreement with the experimental result. The simple and effective numerical and experimental methods for laser ultrasonic measurement of the elastic constants are demonstrated. Copyright © 2016. Published by Elsevier B.V.

Theoretical analysis of the structural phase transformation from B3 to B1 in BeO under high pressure

NASA Astrophysics Data System (ADS)

Jain, Arvind; Verma, Saligram; Nagarch, R. K.; Shah, S.; Kaurav, Netram

2018-05-01

We have performed the phase transformation and elastic properties of BeO at high pressure by formulating effective interionic interaction potential. The elastic constants, including the long-range Coulomb and van der Waals (vdW) interactions and the short-range repulsive interaction of up to second-neighbor ions within the Hafemeister and Flygare approach, are derived. Assuming that both the ions are polarizable, we employed the Slater-Kirkwood variational method to estimate the vdW coefficients, a structural phase transition (Pt) from ZnS structure (B3) to NaCl structure (B1) at 108 GPa has been predicted for BeO. The estimated value of the phase transition pressure (Pt) and the magnitude of the discontinuity in volume at the transition pressure are consistent as compared to the theoretical data. The variations of elastic constants with pressure follow a systematic trend identical to that observed in others compounds of ZnS type structure family.

Surface-induced polymerization of actin.

PubMed Central

Renault, A; Lenne, P F; Zakri, C; Aradian, A; Vénien-Bryan, C; Amblard, F

1999-01-01

Living cells contain a very large amount of membrane surface area, which potentially influences the direction, the kinetics, and the localization of biochemical reactions. This paper quantitatively evaluates the possibility that a lipid monolayer can adsorb actin from a nonpolymerizing solution, induce its polymerization, and form a 2D network of individual actin filaments, in conditions that forbid bulk polymerization. G- and F-actin solutions were studied beneath saturated Langmuir monolayers containing phosphatidylcholine (PC, neutral) and stearylamine (SA, a positively charged surfactant) at PC:SA = 3:1 molar ratio. Ellipsometry, tensiometry, shear elastic measurements, electron microscopy, and dark-field light microscopy were used to characterize the adsorption kinetics and the interfacial polymerization of actin. In all cases studied, actin follows a monoexponential reaction-limited adsorption with similar time constants (approximately 10(3) s). At a longer time scale the shear elasticity of the monomeric actin adsorbate increases only in the presence of lipids, to a 2D shear elastic modulus of mu approximately 30 mN/m, indicating the formation of a structure coupled to the monolayer. Electron microscopy shows the formation of a 2D network of actin filaments at the PC:SA surface, and several arguments strongly suggest that this network is indeed causing the observed elasticity. Adsorption of F-actin to PC:SA leads more quickly to a slightly more rigid interface with a modulus of mu approximately 50 mN/m. PMID:10049338

Modeling Anisotropic Elastic Wave Propagation in Jointed Rock Masses

NASA Astrophysics Data System (ADS)

Hurley, R.; Vorobiev, O.; Ezzedine, S. M.; Antoun, T.

2016-12-01

We present a numerical approach for determining the anisotropic stiffness of materials with nonlinearly-compliant joints capable of sliding. The proposed method extends existing ones for upscaling the behavior of a medium with open cracks and inclusions to cases relevant to natural fractured and jointed rocks, where nonlinearly-compliant joints can undergo plastic slip. The method deviates from existing techniques by incorporating the friction and closure states of the joints, and recovers an anisotropic elastic form in the small-strain limit when joints are not sliding. We present the mathematical formulation of our method and use Representative Volume Element (RVE) simulations to evaluate its accuracy for joint sets with varying complexity. We then apply the formulation to determine anisotropic elastic constants of jointed granite found at the Nevada Nuclear Security Site (NNSS) where the Source Physics Experiments (SPE), a campaign of underground chemical explosions, are performed. Finally, we discuss the implementation of our numerical approach in a massively parallel Lagrangian code Geodyn-L and its use for studying wave propagation from underground explosions. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Micromechanical Prediction of the Effective Coefficients of Thermo-Piezoelectric Multiphase Composites

NASA Technical Reports Server (NTRS)

Aboudi, Jacob

1998-01-01

The micromechanical generalized method of cells model is employed for the prediction of the effective elastic, piezoelectric, dielectric, pyroelectric and thermal-expansion constants of multiphase composites with embedded piezoelectric materials. The predicted effective constants are compared with other micromechanical methods available in the literature and good agreements are obtained.

Monte Carlo investigations on surface elastic energy of spin-crossover solids: Direct access to image pressure and the Eshelby constant

NASA Astrophysics Data System (ADS)

Boukheddaden, Kamel

2013-10-01

We present theoretical investigations on surface elastic energy in spin-crossover (SC) solids studied in the frame of a microscopic elastic model, coupling spin, and lattice deformations. Although surface energy plays a crucial role in driving the SC transition, specific quantitative investigations on its effect have been neglected in most of the recent theoretical works based on atomistic descriptions of the SC transitions, resolved by Monte Carlo or by molecular dynamics simulations. Here, we perform a quantitative study of the surface energy resulting from an inserted high-spin (HS) domain in a low-spin (LS) lattice. This situation may be produced experimentally in SC solids, at low temperature, through a photoexcitation by a single pulse laser shot. We demonstrate that the surface energy depends on the ratio between the local molecular volume misfit (between the LS and HS sites) δυ and the lattice volume V, such as Esurf˜δυ2/V for the HS atom at the center of lattice, while it is Esurf˜δυ2/L (L is the length of the lattice) in the case of the HS atom located on the edge of the lattice. We then derived the image pressure (negative in the case of embedded dilatation centers) through the work of the free surface atoms and evaluated the Eshelby constant, which was found equal to γ˜1.90, in very good agreement with the available data of literature. Energetic configuration diagrams in the homogeneous (HS and LS) and heterogeneous (coexistence of HS and LS) are calculated, from which estimations of the macroscopic bulk modulus were deduced.

The role of elastic restoring forces in right-ventricular filling

PubMed Central

Pérez Del Villar, Candelas; Bermejo, Javier; Rodríguez-Pérez, Daniel; Martínez-Legazpi, Pablo; Benito, Yolanda; Antoranz, J. Carlos; Desco, M. Mar; Ortuño, Juan E.; Barrio, Alicia; Mombiela, Teresa; Yotti, Raquel; Ledesma-Carbayo, Maria J.; Del Álamo, Juan C.; Fernández-Avilés, Francisco

2015-01-01

Aims The physiological determinants of RV diastolic function remain poorly understood. We aimed to quantify the contribution of elastic recoil to RV filling and determine its sensitivity to interventricular interaction. Methods and results High-fidelity pressure–volume loops and simultaneous 3-dimensional ultrasound sequences were obtained in 13 pigs undergoing inotropic modulation, volume overload, and acute pressure overload induced by endotoxin infusion. Using a validated method, we isolated elastic restoring forces from ongoing relaxation using conventional pressure–volume data. The RV contracted below the equilibrium volume in >75% of the data sets. Consequently, elastic recoil generated strong sub-atmospheric passive pressure at the onset of diastole [−3 (−4 to −2) mmHg at baseline]. Stronger restoring suction pressure was related to a shorter isovolumic relaxation period, a higher rapid filling fraction, and lower atrial pressures (all P < 0.05). Restoring forces were mostly determined by the position of operating volumes around the equilibrium volume. By this mechanism, the negative inotropic effect of beta-blockade reduced and sometimes abolished restoring forces. During acute pressure overload, restoring forces initially decreased, but recovered at advanced stages. This biphasic response was related to alterations of septal curvature induced by changes in the diastolic LV–RV pressure balance. The constant of elastic recoil was closely related to the constant of passive stiffness (R = 0.69). Conclusion The RV works as a suction pump, exploiting contraction energy to facilitate filling by means of strong elastic recoil. Restoring forces are influenced by the inotropic state and RV conformational changes mediated by direct ventricular interdependence. PMID:25691537

Mechanical properties of stored red blood cells using optical tweezers

NASA Astrophysics Data System (ADS)

Fontes, Adriana; Alexandre de Thomaz, Andre; de Ysasa Pozzo, Liliana; de Lourdes Barjas-Castro, Maria; Brandao, Marcelo M.; Saad, Sara T. O.; Barbosa, Luiz Carlos; Cesar, Carlos Lenz

2005-08-01

We have developed a method for measuring the red blood cell (RBC) membrane overall elasticity μ by measuring the deformation of the cells when dragged at a constant velocity through a plasma fluid by an optical tweezers. The deformability of erythrocytes is a critical determinant of blood flow in the microcirculation. We tested our method and hydrodynamic models, which included the presence of two walls, by measuring the RBC deformation as a function of drag velocity and of the distance to the walls. The capability and sensitivity of this method can be evaluated by its application to a variety of studies, such as, the measurement of RBC elasticity of sickle cell anemia patients comparing homozygous (HbSS), including patients taking hydroxyrea (HU) and heterozygous (HbAS) with normal donors and the RBC elasticity measurement of gamma irradiated stored blood for transfusion to immunosupressed patients as a function of time and dose. These studies show that the technique has the sensitivity to discriminate heterozygous and homozygous sickle cell anemia patients from normal donors and even follow the course of HU treatment of Homozygous patients. The gamma irradiation studies show that there is no significant change in RBC elasticity over time for up to 14 days of storage, regardless of whether the unit was irradiated or not, but there was a huge change in the measured elasticity for the RBC units stored for more than 21 days after irradiation. These finds are important for the assessment of stored irradiated RBC viability for transfusion purposes because the present protocol consider 28 storage days after irradiation as the limit for the RBC usage.

The cancellous bone multiscale morphology-elasticity relationship.

PubMed

Agić, Ante; Nikolić, Vasilije; Mijović, Budimir

2006-06-01

The cancellous bone effective properties relations are analysed on multiscale across two aspects; properties of representative volume element on micro scale and statistical measure of trabecular trajectory orientation on mesoscale. Anisotropy of the microstructure is described across fabric tensor measure with trajectory orientation tensor as bridging scale connection. The scatter measured data (elastic modulus, trajectory orientation, apparent density) from compression test are fitted by stochastic interpolation procedure. The engineering constants of the elasticity tensor are estimated by last square fitt procedure in multidimensional space by Nelder-Mead simplex. The multiaxial failure surface in strain space is constructed and interpolated by modified super-ellipsoid.

The Effect of Chemical Functionalization on Mechanical Properties of Nanotube/Polymer Composites

NASA Technical Reports Server (NTRS)

Odegard, G. M.; Frankland, S. J. V.; Gates, T. S.

2003-01-01

The effects of the chemical functionalization of a carbon nanotube embedded in a nanotube/polyethylene composite on the bulk elastic properties are presented. Constitutive equations are established for both functionalized and non-functionalized nanotube composites systems by using an equivalent-continuum modeling technique. The elastic properties of both composites systems are predicted for various nanotube lengths, volume fractions, and orientations. The results indicate that for the specific composite material considered in this study, most of the elastic stiffness constants of the functionalized composite are either less than or equal to those of the non-functionalized composite.

Adhesive interaction of elastically deformable spherical particles

NASA Astrophysics Data System (ADS)

D'yachenko, E. N.; Dueck, J. G.

2012-01-01

Two spherical particles that attract each other by van der Waals volume forces and can undergo deformation as a result of the attraction are considered. Small deformations of such particles can be described by the solution of the Hertz problem. The deformation of particles, in turn, alters the force of attraction between them. It has been established that the relationship between the adhesion and elasticity of the indicated particles is determined by the degree to which these particles deform and that the adhesion force acting between the particles depends on their elasticity, size, and the Hamaker constants.

First-principles elastic constants of α- and θ-Al2O3

NASA Astrophysics Data System (ADS)

Shang, Shunli; Wang, Yi; Liu, Zi-Kui

2007-03-01

Using an efficient strain-stress method, the first-principles elastic constants cij's of α-Al2O3 and θ-Al2O3 have been predicted within the local density approximation and the generalized gradient approximation. It is indicated that more accurate calculations of cij's can be accomplished by the local density approximation. The predicted cij's of θ-Al2O3 provide helpful guidance for future measurements, especially the predicted negative c15. The present results make the stress estimation in thermally grown oxides containing of α- and θ-Al2O3 possible, which in turn provide helpful insights for preventing the failure of thermal barrier coatings on components in gas-turbine engines.

Numerical study of the defect adamantine compound CuGaGeSe4

NASA Astrophysics Data System (ADS)

Shen, Kesheng; Zhang, Xianzhou; Lu, Hai; Jiao, Zhaoyong

2018-06-01

The electronic structure, elastic and optical properties of the defect adamantine compound CuGaGeSe4 in ? structure are systematically investigated using first-principles calculations. Through detailed calculation and comparison, we obtain three independent atomic arrangements and predict the most stable atomic arrangement according to the lattice constants and enthalpy formation energies. The elastic constants are calculated, which can be used to predict the axial thermal expansion coefficients accurately. The optical properties of compound CuGaGeSe4, including the dielectric function, refractive index and absorption spectrum, are depicted for a more intuitive understanding. Our calculated zero-frequency limits ɛ1(0) and n(0) are very close to the other theoretical values, which proves that our calculations are reliable.

Some comments on the World Energy Conference (WEC) energy demand model

NASA Astrophysics Data System (ADS)

Brandell, L.

1982-04-01

The WEC model, relating the energy demand for a region in a year to gross national product (GNP), aggregated energy prices and elasticity constants, is generalized. The changes that result from the assumption that the elasticity factors are not constant are examined. The resulting differential equation contains the variables energy demand per capita and GNP per capita for the region considered. The effect of time lag in energy demand and the influence of the population growth rate are also included in the model. No projections of the future energy demand were made, but model sensitiveness to the modifications were studied. Time lag effects and population growth effects can raise the projected energy demand for a region by 10% or more.

Implementation of the glacial rebound prestress advection correction in general-purpose finite element analysis software: Springs versus foundations

NASA Astrophysics Data System (ADS)

Schmidt, Peter; Lund, Björn; Hieronymus, Christoph

2012-03-01

When general-purpose finite element analysis software is used to model glacial isostatic adjustment (GIA), the first-order effect of prestress advection has to be accounted for by the user. We show here that the common use of elastic foundations at boundaries between materials of different densities will produce incorrect displacements, unless the boundary is perpendicular to the direction of gravity. This is due to the foundations always acting perpendicular to the surface to which they are attached, while the body force they represent always acts in the direction of gravity. If prestress advection is instead accounted for by the use of elastic spring elements in the direction of gravity, the representation will be correct. The use of springs adds a computation of the spring constants to the analysis. The spring constant for a particular node is defined by the product of the density contrast at the boundary, the gravitational acceleration, and the area supported by the node. To be consistent with the finite element formulation, the area is evaluated by integration of the nodal shape functions. We outline an algorithm for the calculation and include a Python script that integrates the shape functions over a bilinear quadrilateral element. For linear rectangular and triangular elements, the area supported by each node is equal to the element area divided the number of defining nodes, thereby simplifying the computation. This is, however, not true in the general nonrectangular case, and we demonstrate this with a simple 1-element model. The spring constant calculation is simple and performed in the preprocessing stage of the analysis. The time spent on the calculation is more than compensated for by a shorter analysis time, compared to that for a model with foundations. We illustrate the effects of using springs versus foundations with a simple two-dimensional GIA model of glacial loading, where the Earth model has an inclined boundary between the overlying elastic layer and the lower viscoelastic layer. Our example shows that the error introduced by the use of foundations is large enough to affect an analysis based on high-accuracy geodetic data.

Elasticity of Calcium-Alkaline Amphiboles: Revised Properties for Crustal Seismic Models

NASA Astrophysics Data System (ADS)

Straughan, K. B.; Castle, N. R.; Brown, J.

2009-12-01

Amphiboles are dominant mineral constituents of both the oceanic and continental crust. Efforts to model crustal seismic structure and anisotropy have been limited by sparse and uncertain data for the elasticity of common rock-forming amphiboles. A single paper from 1961 reports properties of two “hornblendes” of unreported composition. We have undertaken a study of the calcium-alkaline amphiboles (minerals in this range include hornblende, tremolite, edenite, pargasite, tschermaktite and others) to explore elastic properties as a function of composition. Velocities as a function of propagation direction were measured using Impulsively Stimulated Light Scattering. All thirteen monoclinic elastic constants were determined for nine amphiboles spanning this common rock-forming compositional space. Amphiboles exhibit a wide range of elemental compositions and site occupancies. Measured trends of elastic constants with composition cannot be reduced to a single variable. Broad correlations are apparent in both (Mg+Fe) and Al concentrations. Among these samples, the isotropic average bulk modulus ranges from 85 to 98 GPa and the shear modulus ranges from 51 to 62. Poisson’s ratio varies from .23 to .27. The compressional velocity anisotropy (fast direction along the c axis and slow direction along the a-axis) varies with composition from 23% to 33%. Velocities along the c-axis are as fast as 9.0 km/s and along the a-axis are as slow as 5.8 km/s. These results exhibit far greater anisotropy and higher velocities than previously assumed based on the earlier data.

First Principles Investigation of Fluorine Based Strontium Series of Perovskites

NASA Astrophysics Data System (ADS)

Erum, Nazia; Azhar Iqbal, Muhammad

2016-11-01

Density functional theory is used to explore structural, elastic, and mechanical properties of SrLiF3, SrNaF3, SrKF3 and SrRbF3 fluoroperovskite compounds by means of an ab-initio Full Potential-Linearized Augmented Plane Wave (FP-LAPW) method. Several lattice parameters are employed to obtain accurate equilibrium volume (Vo). The resultant quantities include ground state energy, elastic constants, shear modulus, bulk modulus, young's modulus, cauchy's pressure, poisson's ratio, shear constant, ratio of elastic anisotropy factor, kleinman's parameter, melting temperature, and lame's coefficient. The calculated structural parameters via DFT as well as analytical methods are found to be consistent with experimental findings. Chemical bonding is used to investigate corresponding chemical trends which authenticate combination of covalent-ionic behavior. Furthermore electron density plots as well as elastic and mechanical properties are reported for the first time which reveals that fluorine based strontium series of perovskites are mechanically stable and posses weak resistance towards shear deformation as compared to resistance towards unidirectional compression while brittleness and ionic behavior is dominated in them which decreases from SrLiF3 to SrRbF3. Calculated cauchy's pressure, poisson's ratio and B/G ratio also proves ionic nature in these compounds. The present methodology represents an effective and influential approach to calculate the whole set of elastic and mechanical parameters which would support to understand various physical phenomena and empower device engineers for implementing these materials in numerous applications.

Elastic properties of transparent nano-polycrystalline diamond measured by GHz-ultrasonic interferometry and resonant sphere methods

NASA Astrophysics Data System (ADS)

Chang, Yun-Yuan; Jacobsen, Steven D.; Kimura, Masaki; Irifune, Tetsuo; Ohno, Ichiro

2014-03-01

The sound velocities and elastic moduli of transparent nano-polycrystalline diamond (NPD) have been determined by GHz-ultrasonic interferometry on three different bulk samples, and by resonant spectroscopy on a spherically fabricated NPD sample. We employ a newly-developed optical contact micrometer to measure the thickness of ultrasonic samples to ±0.05 μm with a spatial resolution of ∼50 μm in the same position of the GHz-ultrasonic measurements, resulting in acoustic-wave sound velocity measurements with uncertainties of 0.005-0.02%. The isotropic and adiabatic bulk and shear moduli of NPD measured by GHz-ultrasonic interferometry are KS0 = 442.5 (±0.5) GPa and G0 = 532.4 (±0.5) GPa. By rotating the shear-wave polarization direction, we observe no transverse anisotropy in this NPD. Using resonant sphere spectroscopy, we obtain KS0 = 440.3 (±0.5) GPa and G0 = 532.7 (±0.4) GPa. For comparison, we also measured by GHz-ultrasonic interferometry the elastic constants of a natural single-crystal type-IA diamond with about one-half the experimental uncertainty of previous measurements. The resulting Voigt-Reuss-Hill averaged bulk and shear moduli of natural diamond are KS0 = 441.8 (±0.8) GPa and G0 = 532.6 (±0.5) GPa, demonstrating that the bulk-elastic properties of transparent NPD are equivalent to natural single-crystal diamond as calculated from polycrystalline averaging of its elastic constants.

Theoretical Series Elastic Element Length in Rana pipiens Sartorius Muscles

PubMed Central

Matsumoto, Yorimi

1967-01-01

Assuming a two component system for the muscle, a series elastic element and a contractile component, the analyses of the isotonic and isometric data points were related to obtain the series elastic stiffness, dP/dls, from the relation, See PDF for Equation From the isometric data, dP/dt was obtained and shortening velocity, v, was a result of the isotonic experiments. Substituting (P 0 - P)/T for dP/dt and (P 0 - P)/(P + a) times b for v, dP/dls = (P + a) /bT, where P < P 0, and a, b are constants for any lengths l ≤ l 0 (Matsumoto, 1965). If the isometric tension and the shortening velocity are recorded for a given muscle length, l 0, although the series elastic, ls, and the contractile component, lc, are changing, the total muscle length, l 0 remains fixed and therefore the time constant, T. Integrating, See PDF for Equation the stress-strain relation for the series elastic element, See PDF for Equation is obtained; l sc0 - ls + l c0where l co equals the contractile component length for a muscle exerting a tension of P 0. For a given P/P 0, ls is uniquely determined and must be the same whether on the isotonic or isometric length-tension-time curve. In fact, a locus on one surface curve can be associated with the corresponding locus on the other. PMID:6033578

Visco-Elastic Membrane Tethers Extracted from Escherichia coli by Optical Tweezers

PubMed Central

Jauffred, Liselotte; Callisen, Thomas Hønger; Oddershede, Lene Broeng

2007-01-01

Tethers were created between a living Escherichia coli bacterium and a bead by unspecifically attaching the bead to the outer membrane and pulling it away using optical tweezers. Upon release, the bead returned to the bacterium, thus showing the existence of an elastic tether between the bead and the bacterium. These tethers can be tens of microns long, several times the bacterial length. Using mutants expressing different parts of the outer membrane structure, we have shown that an intact core lipopolysaccharide is a necessary condition for tether formation, regardless of whether the beads were uncoated polystyrene or beads coated with lectin. A physical characterization of the tethers has been performed yielding visco-elastic tether force-extension relationships: for first pull tethers, a spring constant of 10–12 pN/μm describes the tether visco-elasticity, for subsequent pulls the spring constant decreases to 6–7 pN/μm, and typical relaxation timescales of hundreds of seconds are observed. Studies of tether stability in the presence of proteases, lipases, and amylases lead us to propose that the extracted tether is primarily composed of the asymmetric lipopolysaccharide containing bilayer of the outer membrane. This unspecific tethered attachment mechanism could be important in the initiation of bacterial adhesion. PMID:17704145

First-principles study of the structural and elastic properties of AuxV1-x and AuxNb1-x alloys

NASA Astrophysics Data System (ADS)

Al-Zoubi, N.

2018-04-01

Ab initio total energy calculations, based on the Exact Muffin-Tin Orbitals (EMTO) method in combination with the coherent potential approximation (CPA), are used to calculate the total energy of AuxV1-x and AuxNb1-x random alloys along the Bain path that connects the body-centred cubic (bcc) and face-centred cubic (fcc) structures as a function of composition x (0 ≤ x ≤ 1). The equilibrium Wigner-Seitz radius and the elastic properties of both systems are determined as a function of composition. Our theoretical prediction in case of pure elements (x = 0 or x = 1) are in good agreement with the available experimental data. For the Au-V system, the equilibrium Wigner-Seitz radius increase as x increases, while for the Au-Nb system, the equilibrium Wigner-Seitz radius is almost constant. The bulk modulus B and C44 for both alloys exhibit nearly parabolic trend. On the other hand, the tetragonal shear elastic constant C‧ decreases as x increases and correlates reasonably well with the structural energy difference between fcc and bcc structures. Our results offer a consistent starting point for further theoretical and experimental studies of the elastic and micromechanical properties of Au-V and Au-Nb systems.

Deformation Studies and Elasticity Measurements of Hydrophobic Silica Aerogels using Double Exposure Holographic Interferometry

NASA Astrophysics Data System (ADS)

Chikode, Prashant; Sabale, Sandip; Chavan, Sugam

2017-01-01

Holographic interferometry is mainly used for the non-destructive testing of various materials and metals in industry, engineering and technological fields. This technique may used to study the elastic properties of materials. We have used the double exposure holographic interferometry (DEHI) to study the surface deformation and elastic constant such as Young's modulus of mechanically stressed aerogel samples. Efforts have been made in the past to use non-destructive techniques like sound velocity measurements through aerogels. Hydrophobic Silica aerogels were prepared by the sol-gel process followed by supercritical methanol drying. The molar ratio of tetramethoxysilane: methyltrimethoxysilane: H2O constant at 1.2:0.8:6 while the methanol / tetramethoxysilane molar ratio (M) was varied systematically from 14 to 20 to obtain hydrophobic silica aerogels. After applying the weights on the sample in grams, double exposure holograms of aerogel samples have been successfully recorded. Double exposure causes localization of interference fringes on the aerogel surface and these fringes are used to determine the surface deformation and elastic modulus of the aerogels and they are in good agreement with the experiments performed by using four point bending. University Grants Commission for Minor Research Project and Department of Science and Technology for FIST Program.

Documentation of a computer program to simulate aquifer-system compaction using the modular finite-difference ground-water flow model

USGS Publications Warehouse

Leake, S.A.; Prudic, David E.

1988-01-01

The process of permanent compaction is not routinely included in simulations of groundwater flow. To simulate storage changes from both elastic and inelastic compaction, a computer program was written for use with the U. S. Geological Survey modular finite-difference groundwater flow model. The new program is called the Interbed-Storage Package. In the Interbed-Storage Package, elastic compaction or expansion is assumed to be proportional to change in head. The constant of proportionality is the product of skeletal component of elastic specific storage and thickness of the sediments. Similarly, inelastic compaction is assumed to be proportional to decline in head. The constant of proportionality is the product of the skeletal component of inelastic specific storage and the thickness of the sediments. Storage changes are incorporated into the groundwater flow model by adding an additional term to the flow equation. Within a model time step, the package appropriately apportions storage changes between elastic and inelastic components on the basis of the relation of simulated head to the previous minimum head. Another package that allows for a time-varying specified-head boundary is also documented. This package was written to reduce the data requirements for test simulations of the Interbed-Storage Package. (USGS)

Elasticity study of textured barium strontium titanate thin films by X-ray diffraction and laser acoustic waves

NASA Astrophysics Data System (ADS)

Chaabani, Anouar; Njeh, Anouar; Donner, Wolfgang; Klein, Andreas; Hédi Ben Ghozlen, Mohamed

2017-05-01

Ba0.65Sr0.35TiO3 (BST) thin films of 300 nm were deposited on Pt(111)/TiO2/SiO2/Si(001) substrates by radio frequency magnetron sputtering. Two thin films with different (111) and (001) fiber textures were prepared. X-ray diffraction was applied to measure texture. The raw pole figure data were further processed using the MTEX quantitative texture analysis software for plotting pole figures and calculating elastic constants and Young’s modulus from the orientation distribution function (ODF) for each type of textured fiber. The calculated elastic constants were used in the theoretical studies of surface acoustics waves (SAW) propagating in two types of multilayered BST systems. Theoretical dispersion curves were plotted by the application of the ordinary differential equation (ODE) and the stiffness matrix methods (SMM). A laser acoustic waves (LAW) technique was applied to generate surface acoustic waves (SAW) propagating in the BST films, and from a recursive process, the effective Young’s modulus are determined for the two samples. These methods are used to extract and compare elastic properties of two types of BST films, and quantify the influence of texture on the direction-dependent Young’s modulus.

Surface coating influence on elastic properties of spruce wood by means of holographic vibration mode visualization

NASA Astrophysics Data System (ADS)

Bongova, M.; Urgela, Stanislav

1999-07-01

Physicoacoustical properties of wood influenced by surface coating are studied by modal analysis. Resonant spruce plates were coated by stain, nitrocellulose varnish, special violin paint and shellac. The modal testing was performed by electronic speckle pattern interferometry. For this purpose, equipment called VIBROVIZER was used. The collected values of physicoacoustical characteristics (density, Young's modulus, acoustic constant) were compared using the graphic plots of data. The 3D plots help to evaluate wooden plates from a viewpoint of the quality control. This fact offers new opportunity for musical instrument manufacturers.

Stress formulation in the all-electron full-potential linearized augmented plane wave method

NASA Astrophysics Data System (ADS)

Nagasako, Naoyuki; Oguchi, Tamio

2012-02-01

Stress formulation in the linearlized augmented plane wave (LAPW) method has been proposed in 2002 [1] as an extension of the force formulation in the LAPW method [2]. However, pressure calculations only for Al and Si were reported in Ref.[1] and even now stress calculations have not yet been fully established in the LAPW method. In order to make it possible to efficiently relax lattice shape and atomic positions simultaneously and to precisely evaluate the elastic constants in the LAPW method, we reformulate stress formula in the LAPW method with the Soler-Williams representation [3]. Validity of the formulation is tested by comparing the pressure obtained as the trace of stress tensor with that estimated from total energies for a wide variety of material systems. Results show that pressure is estimated within the accuracy of less than 0.1 GPa. Calculations of the shear elastic constant show that the shear components of the stress tensor are also precisely computed with the present formulation [4].[4pt] [1] T. Thonhauser et al., Solid State Commun. 124, 275 (2002).[0pt] [2] R. Yu et al., Phys. Rev. B 43, 6411 (1991).[0pt] [3] J. M. Soler and A. R. Williams, Phys. Rev. B 40, 1560 (1989).[0pt] [4] N. Nagasako and T. Oguchi, J. Phys. Soc. Jpn. 80, 024701 (2011).

Non-mineralized fibrocartilage shows the lowest elastic modulus in the rabbit supraspinatus tendon insertion: measurement with scanning acoustic microscopy.

PubMed

Sano, Hirotaka; Saijo, Yoshifumi; Kokubun, Shoichi

2006-01-01

The acoustic properties of rabbit supraspinatus tendon insertions were measured by scanning acoustic microscopy. After cutting parallel to the supraspinatus tendon fibers, specimens were fixed with 10% neutralized formalin, embedded in paraffin, and sectioned. Both the sound speed and the attenuation constant were measured at the insertion site. The 2-dimensional distribution of the sound speed and that of the attenuation constant were displayed with color-coded scales. The acoustic properties reflected both the histologic architecture and the collagen type. In the tendon proper and the non-mineralized fibrocartilage, the sound speed and attenuation constant gradually decreased as the predominant collagen type changed from I to II. In the mineralized fibrocartilage, they increased markedly with the mineralization of the fibrocartilaginous tissue. These results indicate that the non-mineralized fibrocartilage shows the lowest elastic modulus among 4 zones at the insertion site, which could be interpreted as an adaptation to various types of biomechanical stress.

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

NASA Astrophysics Data System (ADS)

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.

Elastic and photo-elastic characteristics of laser crystals potassium rare-earth tungstates KRE(WO₄)₂, where RE=Y, Yb, Gd and Lu.

PubMed

Mazur, M M; Velikovskiy, D Yu; Mazur, L I; Pavluk, A A; Pozhar, V E; Pustovoit, V I

2014-07-01

The elastic and photo-elastic characteristics of four laser crystals KY(WO₄)₂, KGd(WO₄)₂, KYb(WO₄)₂, and KLu(WO₄)₂ are presented. The first pair was reported early, and the last two materials have been investigated for the first time. The full matrix of elastic constants of these monoclinic crystals has been determined. Also, acousto-optical figure of merit for all the basic geometries of isotropic diffraction has been measured. It is proved that potassium rare-earth tungstates has rather good acousto-optical properties and particularly can take place of fused silica in technical applications required high power laser radiation. All the results demonstrate good prospect of these optically bi-axial laser crystals for development of new effective acousto-optical devices. Copyright © 2014 Elsevier B.V. All rights reserved.

A hybrid-stress finite element approach for stress and vibration analysis in linear anisotropic elasticity

NASA Technical Reports Server (NTRS)

Oden, J. Tinsley; Fly, Gerald W.; Mahadevan, L.

1987-01-01

A hybrid stress finite element method is developed for accurate stress and vibration analysis of problems in linear anisotropic elasticity. A modified form of the Hellinger-Reissner principle is formulated for dynamic analysis and an algorithm for the determination of the anisotropic elastic and compliance constants from experimental data is developed. These schemes were implemented in a finite element program for static and dynamic analysis of linear anisotropic two dimensional elasticity problems. Specific numerical examples are considered to verify the accuracy of the hybrid stress approach and compare it with that of the standard displacement method, especially for highly anisotropic materials. It is that the hybrid stress approach gives much better results than the displacement method. Preliminary work on extensions of this method to three dimensional elasticity is discussed, and the stress shape functions necessary for this extension are included.

Elastic energy distribution in bi-material lithosphere: implications for shear zone formation

NASA Astrophysics Data System (ADS)

So, B.; Yuen, D. A.

2013-12-01

Shear instability in the lithosphere can cause mechanical rupturing such as slab detachment and deep focus earthquake. Recent studies reported that bi-material interface, which refers to sharp elastic modulus contrast, plays an important role in triggering the instability [So and Yuen et al., 2012, GJI]. In present study, we performed two-dimensional numerical simulations to investigate the distribution of thermal-mechanical energy within the bi-material lithosphere. Under the far-field constant compression exerted on the domain, a larger elastic energy is accumulated into the compliant part than stiff medium. For instance, the compliant part has two times greater elastic energy density than surrounding stiff part, when the elastic modulus contrast between two different parts is five. Although these elastic energies in both parts are conversed into thermal energies after plastic yielding, denser elastic energy in the compliant is released more efficiently. This leads to efficient strength weakening and the subsequent ductile shear zone in the compliant part. We propose that strong shear heating occurs in lithosphere with the bi-material interface due to locally non-uniform distribution of the energy around the interface.

Coronary oscillatory flow amplitude is more affected by perfusion pressure than ventricular pressure.

PubMed

Krams, R; Sipkema, P; Westerhof, N

1990-06-01

In this study on the isolated, maximally vasodilated, blood-perfused cat heart we investigated the relation between left ventricular developed pressure (delta Piv) and coronary oscillatory flow amplitude (diastolic minus systolic flow, delta F) at different levels of constant perfusion pressure (Pp). We hypothesized that the effect of cardiac contraction on the phasic flow results from the changing elastic properties of cardiac muscle. The coronary vessel compartment can, as can the left ventricular lumen compartment, be described by a time-varying elastance. This concept predicts that the effect of left ventricular pressure on delta F is small, whereas the effect of Pp is considerable. Both the waterfall model and the intramyocardial pump model predict the inverse. The relation between delta Piv and delta F at a Pp of 10 kPa is delta F = (4.71 +/- 3.08).delta Piv + 337 +/- 75 (slope in ml.min-1.100 g-1.kPa-1 and intercept in ml.min-1.100 g-1; n = 7); the relation between (constant levels of) Pp and delta F at a constant delta Piv of 10 kPa is delta F = 51.Pp + 211 (slope in ml.min-1.100 g-1.kPa-1 and intercept in ml.min-1.100 g-1; n = 6). The differences in slope are best predicted by the time-varying elastance concept.

Comparative evaluation of the powder and compression properties of various grades and brands of microcrystalline cellulose by multivariate methods.

PubMed

Haware, Rahul V; Bauer-Brandl, Annette; Tho, Ingunn

2010-01-01

The present work challenges a newly developed approach to tablet formulation development by using chemically identical materials (grades and brands of microcrystalline cellulose). Tablet properties with respect to process and formulation parameters (e.g. compression speed, added lubricant and Emcompress fractions) were evaluated by 2(3)-factorial designs. Tablets of constant true volume were prepared on a compaction simulator at constant pressure (approx. 100 MPa). The highly repeatable and accurate force-displacement data obtained was evaluated by simple 'in-die' Heckel method and work descriptors. Relationships and interactions between formulation, process and tablet parameters were identified and quantified by multivariate analysis techniques; principal component analysis (PCA) and partial least square regressions (PLS). The method proved to be able to distinguish between different grades of MCC and even between two different brands of the same grade (Avicel PH 101 and Vivapur 101). One example of interaction was studied in more detail by mixed level design: The interaction effect of lubricant and Emcompress on elastic recovery of Avicel PH 102 was demonstrated to be complex and non-linear using the development tool under investigation.

Ab Initio High Pressure and Temperature Investigation on Cubic PbMoO3 Perovskite

NASA Astrophysics Data System (ADS)

Dar, Sajad Ahmad; Srivastava, Vipul; Sakalle, Umesh Kumar

2017-12-01

A combined high pressure and temperature investigation on recently reported cubic perovskite PbMoO3 have been performed within the most accurate density functional theory (DFT). The structure was found stable in cubic paramagnetic phase. The DFT calculated analytical and experimental lattice constant were found in good agreement. The analytical tolerance factor as well as the elastic properties further verifies the cubic stability for PbMoO3. The spin polarized electronic band structure and density of states presented metallic nature with symmetry in up and down states. The insignificant magnetic moment also confirms the paramagnetic nature for the compound. The high pressure elastic and mechanical study up to 35 GPa reveal the structural stability of the material in this pressure range. The compound was found to establish a ductile nature. The electrical conductivity obtained from the band structure results show a decreasing trend with increasing temperature. The temperature dependence of thermodynamic parameters such as specific heat ( C v), thermal expansion ( α) has also been evaluated.

Forces on intraocular lens haptics induced by capsular fibrosis. An experimental study.

PubMed

Guthoff, R; Abramo, F; Draeger, J; Chumbley, L C; Lang, G K; Neumann, W

1990-01-01

Electronic dynamometry measurements, performed upon intraocular lens (IOL) haptics of prototype one-piece three-loop silicone lenses, accurately defined the relationships between elastic force and haptic displacement. Lens implantations in the capsular bag of dogs (loop span equal to capsular bag diameter, loops underformed immediately after the operation) were evaluated macrophotographically 5-8 months postoperatively. The highly constant elastic property of silicon rubber permitted quantitative correlation of subsequent in vivo haptic displacement with the resultant force vectors responsible for tissue contraction. The lens optics were well centered in 17 (85%) and slightly offcenter in 3 (15%) of 20 implanted eyes. Of the 60 supporting loops, 28 could be visualized sufficiently well to permit reliable haptic measurement. Of these 28, 20 (71%) were clearly displaced, ranging from 0.45 mm away from to 1.4 mm towards the lens' optic center. These extremes represented resultant vector forces of 0.20 and 1.23 mN respectively. Quantitative vector analysis permits better understanding of IOL-capsular interactions.

Transversely Isotropic Hyperelastic Constitutive Model of Short Fiber Reinforced EPDM Based on Tensor Function

NASA Astrophysics Data System (ADS)

Feng, Q. L.; Li, C.; Liao, Y. F.

2017-12-01

Short fiber reinforced EPDM is a new kind of composite material used in solid rocket motor winding and coating. It has relatively large deformation under the small stress condition, and the physical non-linear characteristic is obvious. Due to the addition of fiber in the specific direction of the rubber, the macroscopic mechanical properties are expressed as transversely isotropic properties. In order to describe the mechanical behavior under the impact and vibration, the transversely isotropic hyperelastic constitutive model based on tensor function is proposed. The symmetry of the transversely isotropic incompressible material limits the stress tensor ‘ K ’ to be characterized as a function of 5 tensor invariants and 4 scalar invariants. The third power constitutive equations of the model give 12 independent elastic constants of the transversely isotropic nonlinear elastic material. The experimental results show that the non-zero elastic constants are different in the fiber direction and at the different strain rate. Number and value of adiabatic layer and related products R & D has a reference value.

First-principles study of the phonon, mechanical and thermodynamic properties of B2-phase AlY under high pressures

NASA Astrophysics Data System (ADS)

Wang, Leini; Jian, Zhang; Ning, Wei

2017-12-01

We have investigated the phonon, mechanical and thermodynamic properties of B2-phase AlY under high pressure by performing density functional theory (DFT). The result of phonon band structure shows B2-phase AlY exhibits dynamical stability. Then, the elastic properties of AlY under high pressure have been discussed. The elastic constants of AlY increase monotonically with the increase of the pressure and all the elastic constants meet the mechanical stability standard under high pressure. By analyzing the Poisson’s ratio ν and the value of B/G of AlY, we first predicted that AlY undergoes transformation from brittleness to ductility at 30 GPa and high pressure can improve the ductility. To obtain the thermodynamic properties of B2-phase AlY, the quasi-harmonic Debye model has been employed. Debye temperature ΘD, thermal expansion coefficient α, heat capacity Cp and Grüneisen parameter γ of B2-phase AlY are systematically explored at pressure of 0-75 GPa and temperature of 0-700 K.

Structural and elastoplastic properties of β -Ga2O3 films grown on hybrid SiC/Si substrates

NASA Astrophysics Data System (ADS)

Osipov, A. V.; Grashchenko, A. S.; Kukushkin, S. A.; Nikolaev, V. I.; Osipova, E. V.; Pechnikov, A. I.; Soshnikov, I. P.

2018-04-01

Structural and mechanical properties of gallium oxide films grown on (001), (011) and (111) silicon substrates with a buffer layer of silicon carbide are studied. The buffer layer was fabricated by the atom substitution method, i.e., one silicon atom per unit cell in the substrate was substituted by a carbon atom by chemical reaction with carbon monoxide. The surface and bulk structure properties of gallium oxide films have been studied by atomic-force microscopy and scanning electron microscopy. The nanoindentation method was used to investigate the elastoplastic characteristics of gallium oxide, and also to determine the elastic recovery parameter of the films under study. The ultimate tensile strength, hardness, elastic stiffness constants, elastic compliance constants, Young's modulus, linear compressibility, shear modulus, Poisson's ratio and other characteristics of gallium oxide have been calculated by quantum chemistry methods based on the PBESOL functional. It is shown that all these properties of gallium oxide are essentially anisotropic. The calculated values are compared with experimental data. We conclude that a change in the silicon orientation leads to a significant reorientation of gallium oxide.

Theory for rates, equilibrium constants, and Brønsted slopes in F1-ATPase single molecule imaging experiments

PubMed Central

Volkán-Kacsó, Sándor; Marcus, Rudolph A.

2015-01-01

A theoretical model of elastically coupled reactions is proposed for single molecule imaging and rotor manipulation experiments on F1-ATPase. Stalling experiments are considered in which rates of individual ligand binding, ligand release, and chemical reaction steps have an exponential dependence on rotor angle. These data are treated in terms of the effect of thermodynamic driving forces on reaction rates, and lead to equations relating rate constants and free energies to the stalling angle. These relations, in turn, are modeled using a formalism originally developed to treat electron and other transfer reactions. During stalling the free energy profile of the enzymatic steps is altered by a work term due to elastic structural twisting. Using biochemical and single molecule data, the dependence of the rate constant and equilibrium constant on the stall angle, as well as the Børnsted slope are predicted and compared with experiment. Reasonable agreement is found with stalling experiments for ATP and GTP binding. The model can be applied to other torque-generating steps of reversible ligand binding, such as ADP and Pi release, when sufficient data become available. PMID:26483483

Laser Melt/Particle Injection Processing; Characterization and Performance of Materials

DTIC Science & Technology

1989-05-01

cases of the present more general solution. Closed-form solutions of the elastic field for both the inclusion with nonshear eigenstrain and 27 N GEO...ellipsoidal inclusion with shear eigenstrain in the half-space are obtained by the combination of present innovative method and Mindlin’s point force... eigenstrain which had been accepted by the Journal of Applied Mechanics, and are incorporated herein. Elastic Constants of Films Determined by the

Complete elastic constants of α-BaB2O4: Schaefer-Bergmann acousto-optic diffraction and resonant ultrasound spectroscopy.

PubMed

Pfeiffer, Jonathan B; Wagner, Kelvin H; Kaufman, Yaniv; Ledbetter, Hassel; Soos, Jolanta; Diestler, Mark

2016-10-01

Both Schaefer-Bergmann diffraction and resonant ultrasound spectroscopy were used to measure the six independent elastic-stiffness coefficients of the trigonal, non-piezoelectric crystal α-BaB 2 O 4 . The two measurement sets resulted in a root-mean-square variance of 1.2%. This paper provides a detailed analysis of the two different measurement techniques and discusses the similarities and differences.

High Temperature Elastic Properties of Reduced Activation Ferritic-Martensitic (RAFM) Steel Using Impulse Excitation Technique

NASA Astrophysics Data System (ADS)

Tripathy, Haraprasanna; Raju, Subramanian; Hajra, Raj Narayan; Saibaba, Saroja

2018-03-01

The polycrystalline elastic constants of an indigenous variant of 9Cr-1W-based reduced activation ferritic-martensitic (RAFM) steel have been determined as a function of temperature from 298 K to 1323 K (25 °C to 1000 °C), using impulse excitation technique (IET). The three elastic constants namely, Young's modulus E, shear modulus G, and bulk modulus B, exhibited significant softening with increasing temperature, in a pronounced non-linear fashion. In addition, clearly marked discontinuities in their temperature variations are noticed in the region, where ferrite + carbides → austenite phase transformation occurred upon heating. Further, the incidence of austenite → martensite transformation upon cooling has also been marked by a step-like jump in both elastic E and shear moduli G. The martensite start M s and M f finish temperatures estimated from this study are, M s = 652 K (379 °C) and M f =580 K (307 °C). Similarly, the measured ferrite + carbide → austenite transformation onset ( Ac 1) and completion ( Ac 3) temperatures are found to be 1126 K and 1143 K (853 °C and 870 °C), respectively. The Poisson ratio μ exhibited distinct discontinuities at phase transformation temperatures; but however, is found to vary in the range 0.27 to 0.29. The room temperature estimates of E, G, and μ for normalized and tempered microstructure are found to be 219 GPa, 86.65 GPa, and 0.27, respectively. For the metastable austenite phase, the corresponding values are: 197 GPa, 76.5 GPa, and 0.29, respectively. The measured elastic properties as well as their temperature dependencies are found to be in good accord with reported estimates for other 9Cr-based ferritic-martensitic steel grades. Estimates of θ D el , the elastic Debye temperature and γ G, the thermal Grüneisen parameter obtained from measured bulk elastic properties are found to be θ D el = 465 K (192 °C) and γ G = 1.57.

Effect of structural evolution on mechanical properties of ZrO2 coated Ti-6Al-7Nb-biomedical application

NASA Astrophysics Data System (ADS)

Zalnezhad, E.

2016-05-01

Zirconia (ZrO2) nanotube arrays were fabricated by anodizing pure zirconium (Zr) coated Ti-6Al-7Nb in fluoride/glycerol electrolyte at a constant potential of 60 V for different times. Zr was deposited atop Ti-6Al-7Nb via a physical vapor deposition magnetron sputtering (PVDMS) technique. Structural investigations of coating were performed utilizing X-ray diffraction (XRD) analysis. Field emission scanning electron microscopy (FESEM) and atomic force microscopy (AFM) were used to characterize the morphology and microstructure of coatings. Unannealed ZrO2 nanotube arrays were amorphous. Monoclinic and tetragonal ZrO2 appeared when the coated substrates were heat treated at 450 °C and 650 °C, while monoclinic ZrO2 was found at 850 °C and 900 °C. Mechanical properties, including nanohardness and modulus of elasticity, were evaluated at different annealing temperatures using a nanoindentation test. The nanoindentation results show that the nanohardness and modulus of elasticity for Ti-6AL-7Nb increased by annealing ZrO2 coated substrate at 450 °C. The nanohardness and modulus of elasticity for coated substrate decreased with annealing temperatures of 650, 850, and 900 °C. At an annealing temperature of 900 °C, cracks in the ZrO2 thin film coating occurred. The highest nanohardness and elastic modulus values of 6.34 and 218 GPa were achieved at an annealing temperature of 450 °C.

Assessing exchange-correlation functionals for elasticity and thermodynamics of α -ZrW2O8 : A density functional perturbation theory study

NASA Astrophysics Data System (ADS)

Weck, Philippe F.; Kim, Eunja; Greathouse, Jeffery A.; Gordon, Margaret E.; Bryan, Charles R.

2018-04-01

Elastic and thermodynamic properties of negative thermal expansion (NTE) α -ZrW2O8 have been calculated using PBEsol and PBE exchange-correlation functionals within the framework of density functional perturbation theory (DFPT). Measured elastic constants are reproduced within ∼ 2 % with PBEsol and ∼ 6 % with PBE. The thermal evolution of the Grüneisen parameter computed within the quasi-harmonic approximation exhibits negative values below the Debye temperature, consistent with observation. The standard molar heat capacity is predicted to be CP0 = 192.2 and 193.8 J mol-1K-1 with PBEsol and PBE, respectively. These results suggest superior accuracy of DFPT/PBEsol for studying the lattice dynamics, elasticity and thermodynamics of NTE materials.

First principles predictions of electronic and elastic properties of BaPb2As2 in the ThCr2Si2-type structure

NASA Astrophysics Data System (ADS)

Bourourou, Y.; Amari, S.; Yahiaoui, I. E.; Bouhafs, B.

2018-01-01

A first-principles approach is used to predicts the electronic and elastic properties of BaPb2As2 superconductor compound, using full-potential linearized augmented plane wave plus local orbitals (FP-L/APW+lo) scheme within the local density approximation LDA. The calculated equilibrium structural parameter a agree well with the experiment while the c/a ratio is far away from the experimental result. The band structure, density of states, together with the charge density and chemical bonding are discussed. The calculated elastic constants for our compound indicate that it is mechanically stable at ambient pressure. Polycrystalline elastic moduli (Young's, Bulk, shear Modulus and the Poisson's ratio) were calculated according to the Voigte-Reusse-Hill (VRH) average.

Film thickness for different regimes of fluid-film lubrication. [elliptical contacts

NASA Technical Reports Server (NTRS)

Hamrock, B. J.; Dowson, D.

1983-01-01

Mathematical formulas are presented which express the dimensionless minimum film thickness for the four lubrication regimes found in elliptical contacts: isoviscous-rigid regime; piezoviscous-rigid regime; isoviscous-elastic regime; and piezoviscous-elastic regime. The relative importance of pressure on elastic distortion and lubricant viscosity is the factor that distinguishes these regimes for a given conjunction geometry. In addition, these equations were used to develop maps of the lubrication regimes by plotting film thickness contours on a log-log grid of the dimensionless viscosity and elasticity parameters for three values of the ellipticity parameter. These results present a complete theoretical film thickness parameter solution for elliptical constants in the four lubrication regimes. The results are particularly useful in initial investigations of many practical lubrication problems involving elliptical conjunctions.

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

NASA Astrophysics Data System (ADS)

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.

Equilibrium structures of carbon diamond-like clusters and their elastic properties

NASA Astrophysics Data System (ADS)

Lisovenko, D. S.; Baimova, Yu. A.; Rysaeva, L. Kh.; Gorodtsov, V. A.; Dmitriev, S. V.

2017-04-01

Three-dimensional carbon diamond-like phases consisting of sp 3-hybridized atoms, obtained by linking of carcasses of fullerene-like molecules, are studied by methods of molecular dynamics modeling. For eight cubic and one hexagonal diamond-like phases on the basis of four types of fullerene-like molecules, equilibrium configurations are found and the elastic constants are calculated. The results obtained by the method of molecular dynamics are used for analytical calculations of the elastic characteristics of the diamond- like phases with the cubic and hexagonal anisotropy. It is found that, for a certain choice of the dilatation axis, three of these phases have negative Poisson's ratio, i.e., are partial auxetics. The variability of the engineering elasticity coefficients (Young's modulus, Poisson's ratio, shear modulus, and bulk modulus) is analyzed.

Elastic Model Transitions: A Hybrid Approach Utilizing Quadratic Inequality Constrained Least Squares (LSQI) and Direct Shape Mapping (DSM)

NASA Technical Reports Server (NTRS)

Hannan, Mike R.; Jurenko, Robert J.; Bush, Jason; Ottander, John

2014-01-01

A method for transitioning linear time invariant (LTI) models in time varying simulation is proposed that utilizes a hybrid approach for determining physical displacements by augmenting the original quadratically constrained least squares (LSQI) algorithm with Direct Shape Mapping (DSM) and modifying the energy constraints. The approach presented is applicable to simulation of the elastic behavior of launch vehicles and other structures that utilize discrete LTI finite element model (FEM) derived mode sets (eigenvalues and eigenvectors) that are propagated throughout time. The time invariant nature of the elastic data presents a problem of how to properly transition elastic states from the prior to the new model while preserving motion across the transition and ensuring there is no truncation or excitation of the system. A previous approach utilizes a LSQI algorithm with an energy constraint to effect smooth transitions between eigenvector sets with no requirement that the models be of similar dimension or have any correlation. This approach assumes energy is conserved across the transition, which results in significant non-physical transients due to changing quasi-steady state energy between mode sets, a phenomenon seen when utilizing a truncated mode set. The computational burden of simulating a full mode set is significant so a subset of modes is often selected to reduce run time. As a result of this truncation, energy between mode sets may not be constant and solutions across transitions could produce non-physical transients. In an effort to abate these transients an improved methodology was developed based on the aforementioned approach, but this new approach can handle significant changes in energy across mode set transitions. It is proposed that physical velocities due to elastic behavior be solved for using the LSQI algorithm, but solve for displacements using a two-step process that independently addresses the quasi-steady-state and non-steady-state contributions to the elastic displacement. For structures subject to large external forces, such as thrust or atmospheric drag, it is imperative to capture these forces when solving for elastic displacement. To simplify the mathematical formulation, assumptions are made regarding mass matrix normalization, constant external forcing, and constant viscous damping. These simplifications allow for direct solutions to the quasi-steady-state displacements through a process titled Direct Shape Mapping. DSM solves for the displacements using the eigenvalues of the elastic modes and the external forcing and returns a set of elastic displacements dictated by the eigenvectors of the post-transition mode set. For the non-steady-state contributions to displacement we formulate a LSQI problem that is constrained by energy of the non-steady state terms. The contributions from the quasi-steady-state and non-steady state solutions are then combined to obtain the physical displacements associated with the new set of eigenvectors. Results for the LSQI-DSM approach show significant reduction/complete removal of transients across mode set transitions while maintaining elastic motion from the prior state. For time propagation applications employing discrete elastic models that need to be transitioned in time and where running with full a full mode set is not feasible, the method developed offers a practical solution to simulating vehicle elasticity.

Effectiveness of damped braces to mitigate seismic torsional response of unsymmetric-plan buildings

NASA Astrophysics Data System (ADS)

Mazza, Fabio; Pedace, Emilia; Favero, Francesco Del

2017-02-01

The seismic retrofitting of unsymmetric-plan reinforced concrete (r.c.) framed buildings can be carried out by the incorporation of damped braces (DBs). Yet most of the proposals to mitigate the seismic response of asymmetric framed buildings by DBs rest on the hypothesis of elastic (linear) structural response. The aim of the present work is to evaluate the effectiveness and reliability of a Displacement-Based Design procedure of hysteretic damped braces (HYDBs) based on the nonlinear behavior of the frame members, which adopts the extended N2 method considered by Eurocode 8 to evaluate the higher mode torsional effects. The Town Hall of Spilinga (Italy), a framed structure with an L-shaped plan built at the beginning of the 1960s, is supposed to be retrofitted with HYDBs to attain performance levels imposed by the Italian seismic code (NTC08) in a high-risk zone. Ten structural solutions are compared by considering two in-plan distributions of the HYDBs, to eliminate (elastic) torsional effects, and different design values of the frame ductility combined with a constant design value of the damper ductility. A computer code for the nonlinear dynamic analysis of r.c. spatial framed structures is adopted to evaluate the critical incident angle of bidirectional earthquakes. Beams and columns are simulated with a lumped plasticity model, including flat surface modeling of the axial load-biaxial bending moment elastic domain at the end sections, while a bilinear law is used to idealize the behavior of the HYDBs. Damage index domains are adopted to estimate the directions of least seismic capacity, considering artificial earthquakes whose response spectra match those adopted by NTC08 at serviceability and ultimate limit states.

Effect of Thermal Gradient on Vibration of Non-uniform Visco-elastic Rectangular Plate

NASA Astrophysics Data System (ADS)

Khanna, Anupam; Kaur, Narinder

2016-04-01

Here, a theoretical model is presented to analyze the effect of bilinear temperature variations on vibration of non-homogeneous visco-elastic rectangular plate with non-uniform thickness. Non-uniformity in thickness of the plate is assumed linear in one direction. Since plate's material is considered as non-homogeneous, authors characterized non-homogeneity in poisson ratio and density of the plate's material exponentially in x-direction. Plate is supposed to be clamped at the ends. Deflection for first two modes of vibration is calculated by using Rayleigh-Ritz technique and tabulated for various values of plate's parameters i.e. taper constant, aspect ratio, non-homogeneity constants and thermal gradient. Comparison of present findings with existing literature is also provided in tabular and graphical manner.

Structural, electronic and elastic properties of heavy fermion YbRh2 Laves phase compound

NASA Astrophysics Data System (ADS)

Pawar, Harsha; Shugani, Mani; Aynyas, Mahendra; Sanyal, Sankar P.

2018-05-01

The structural, electronic and elastic properties of YbRh2 Laves phase intermetallic compound which crystallize in cubic (MgCu2-type) structure have been investigated using ab-initio full potential linearized augmented plane wave (FP- LAPW) method with LDA and LDA+U approximation. The calculated ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B') are in good agreement with available experimental and theoretical data. The electronic properties are analyzed from band structures and density of states. Elastic constants are predicted first time for this compound which obeys the stability criteria for cubic system.

Tensile elastic properties of 18:8 chromium-nickel steel as affected by plastic deformation

NASA Technical Reports Server (NTRS)

Mcadam, D J; Mebs, R W

1939-01-01

The relationship between stress and strain, and between stress and permanent set, for 18:8 alloy as affected by prior plastic deformation is discussed. Hysteresis and creep and their effects on the stress-strain and stress-set curves are also considered, as well as the influence of duration of the rest interval after cold work and the influence of plastic deformation on proof stresses, on the modulus of elasticity at zero stress, and on the curvature of the stress-strain line. A constant (c sub 1) is suggested to represent the variation of the modulus of elasticity with stress.

The first principles study of elastic and thermodynamic properties of ZnSe

NASA Astrophysics Data System (ADS)

Khatta, Swati; Kaur, Veerpal; Tripathi, S. K.; Prakash, Satya

2018-05-01

The elastic and thermodynamic properties of ZnSe are investigated using thermo_pw package implemented in Quantum espresso code within the framework of density functional theory. The pseudopotential method within the local density approximation is used for the exchange-correlation potential. The physical parameters of ZnSe bulk modulus and shear modulus, anisotropy factor, Young's modulus, Poisson's ratio, Pugh's ratio and Frantsevich's ratio are calculated. The sound velocity and Debye temperature are obtained from elastic constant calculations. The Helmholtz free energy and internal energy of ZnSe are also calculated. The results are compared with available theoretical calculations and experimental data.

Skin blood flow with elastic compressive extravehicular activity space suit.

PubMed

Tanaka, Kunihiko; Gotoh, Taro M; Morita, Hironobu; Hargens, Alan R

2003-10-01

During extravehicular activity (EVA), current space suits are pressurized with 100% oxygen at approximately 222 mmHg. A tight elastic garment, or mechanical counter pressure (MCP) suit that generates pressure by compression, may have several advantages over current space suit technology. In this study, we investigated local microcirculatory effects produced with negative ambient pressure with an MCP sleeve. The MCP glove and sleeve generated pressures similar to the current space suit. MCP remained constant during negative pressure due to unchanged elasticity of the material. Decreased skin capillary blood flow and temperature during MCP compression was counteracted by greater negative pressure or a smaller pressure differential.

Measurement of process-dependent material properties of pharmaceutical solids by nanoindentation.

PubMed

Liao, Xiangmin; Wiedmann, Timothy Scott

2005-01-01

The purpose of this work was to evaluate nanoindentation as a means to characterize the material properties of pharmaceutical solids. X-ray diffraction of potassium chloride and acetaminophen showed that samples prepared by cooling a melt to a crystalline sample as opposed to slow recrystallization had the same crystal structure. With analysis of the force-displacement curves, the KCl quenched samples had a hardness that was 10 times higher than the recrystallized KCl, while acetaminophen quenched samples were 25% harder than the recrystallized samples. The elastic moduli of the quenched samples were also much greater than that observed for the recrystallized samples. Although the elasticity was independent of load, the hardness increased with load for acetaminophen. With each sample, the flow at constant load increased with applied load. Etching patterns obtained by atomic force microscopy showed that the KCl quenched sample had a higher dislocation density than the recrystallized sample, although there was no evident difference in the acetaminophen samples. Overall, the differences in the observed sample properties may be related to the dislocation density. Thus, nanoindentation has been shown to be a sensitive method for determining a processed-induced change in the hardness, creep, and elasticity of KCl and acetaminophen. (c) 2004 Wiley-Liss, Inc.

Experimental and first-principles studies on the elastic properties of α-hafnium metal under pressure

DOE PAGES

Qi, Xintong; Wang, Xuebing; Chen, Ting; ...

2016-03-30

Compressional and shear wave velocities of the α phase of hafnium have been measured up to 10.4 GPa at room temperature using ultrasonic interferometry in a multi-anvil apparatus. A finite strain equation of state analysis yielded K s0 = 110.4 (5) GPa, G 0 = 54.7(5) GPa,K s0' = 3.7 and G 0' = 0.6 for the elastic bulk and shear moduli and their pressure derivatives at ambient conditions. Complementary to the experimental data, the single crystal elastic constants, elastic anisotropy and the unit cell axial ratio c/a of α-hafnium at high pressures were investigated by Density Functional Theory (DFT)more » based first principles calculations. A c/a value of 1.605 is predicted for α-Hf at 40 GPa, which is in excellent agreement with previous experimental results. The low-pressure derivative of the shear modulus observed in our experimental data up to 10 GPa was found to originate from the elastic constant C44 which exhibits negligible pressure dependence within the current experimental pressure range. At higher pressures (>10 GPa), C 44 was predicted to soften and the shear wave velocity ν S trended to decrease with pressure, which can be interpreted as a precursor to the α-ω transition similar to that observed in other group IV elements (titanium and zirconium). Here, the acoustic velocities, bulk and shear moduli, and the acoustic Debye temperature (θ D = 240.1 K) determined from the current experiments were all compared well with those predicted by our theoretical DFT calculations.« less

Analysis of a monolithic crystal plate acoustic wave filter.

PubMed

He, Huijing; Liu, Jinxi; Yang, Jiashi

2011-12-01

We study thickness-shear and thickness-twist vibrations of a finite, monolithic, AT-cut quartz plate crystal filter with two pairs of electrodes. The equations of anisotropic elasticity are used with the omission of the small elastic constant c(56). An analytical solution is obtained using Fourier series from which the resonant frequencies, mode shapes, and the vibration confinement due to the electrode inertia are calculated and examined. Copyright © 2011 Elsevier B.V. All rights reserved.

Density and mechanical properties of calcium aluminate cement

NASA Astrophysics Data System (ADS)

Ahmed, Syed Taqi Uddin; Ahmmad, Shaik Kareem

2018-04-01

Calcium aluminate cements are a special type of cements which have their composition mainly dominated by the presence of Monocalcium Aluminates. In the present paper for the first time we have shown theoretical density and elastic constants for various calcium aluminate cements. The density of the present CAS decrease with aluminates presents in the cement. Using the density data, the elastic moduli namely Young's modulus, bulk and shear modulus show strong linear dependence as a function of compositional parameter.

Elastic-plastic analysis of a propagating crack under cyclic loading

NASA Technical Reports Server (NTRS)

Newman, J. C., Jr.; Armen, H., Jr.

1974-01-01

Development and application of a two-dimensional finite-element analysis to predict crack-closure and crack-opening stresses during specified histories of cyclic loading. An existing finite-element computer program which accounts for elastic-plastic material behavior under cyclic loading was modified to account for changing boundary conditions - crack growth and intermittent contact of crack surfaces. This program was subsequently used to study the crack-closure behavior under constant-amplitude and simple block-program loading.

Room temperature elastic properties of Rh-based alloys studied by surface Brillouin scattering

NASA Astrophysics Data System (ADS)

Sumanya, C.; Mathe, B. A.; Comins, J. D.; Every, A. G.; Osawa, M.; Harada, H.

2014-10-01

Platinum metal group alloys are promising materials for use in a new generation of gas turbine engines owing to their excellent high-temperature properties. In the present work, room temperature elastic properties of single crystals of Rh3Nb and Rh3Zr are investigated. Surface Brillouin scattering spectra for a range of wave vector directions on the (001) surface have been acquired in order to determine the angular variation of the velocities of the Rayleigh and pseudo-surface acoustic waves and that of the longitudinal lateral wave (LLW) threshold within the Lamb shoulder. The elastic stiffness constants C11, C12, and C44 of these cubic crystal specimens have been derived using two approaches: the first involving the least-squares fit of the combined measured wave velocity data to calculated values and the second an analytical approach using the Rayleigh velocities in the [100] and [110] directions and LLW velocity in the [100] direction, and extracting the elastic stiffness constants from the secular equations for these velocities. Results from the two methods are in good agreement and are for Rh3Nb, C11 = 368 ± 3, C12 = 186 ± 5, and C44 = 161 ± 3 in GPa; and for Rh3Zr, C11 = 329 ± 4, C12 = 185 ± 6, and C44 = 145 ± 4 in GPa.

Lattice Mechanical Properties of Noble and Transition Metals

NASA Astrophysics Data System (ADS)

Baria, J. K.

2004-04-01

A model pseudopotential depending on an effective core radius but otherwise parameter free is used to study the interatomic interactions, phonon dispersion curves (in q and r-space analysis), phonon density of states, mode Grüneisen parameters, dynamical elastic constants ( C 11, C 12 and C 44), bulk modulus ( B), shear modulus ( C'), deviation from Cauchy relation ( C 12 C 44), Poisson’s ratio ( σ), Young’s modulus ( Y), behavior of phonon frequencies in the elastic limit independent of the direction ( Y 1), limiting value in the [110] direction ( Y 2), degree of elastic anisotropy ( A), maximum frequency ω max, mean frequency < ω>, < ω 2>1/2=(< ω>/< ω -1>)1/2, fundamental frequency < ω 2>, and propagation velocities of the elastic constants in Cu, Ag, Au, Ni, Pd, and Pt. The contribution of s-like electrons is calculated in the second-order perturbation theory for the model potential while that of d-like electrons is taken into account by introducing repulsive short-range Born-Mayer like term. Very recently proposed screening function due to Sarkar et al. has been used to obtain the screened form factor. The theoretical results are compared with experimental findings wherever possible. A good agreement between theoretical investigations and experimental findings has proved the ability of our model potential for predicting a large number of physical properties of transition metals.

Exploratory studies of new avenues to achieve high electromechanical response and high dielectric constant in polymeric materials

NASA Astrophysics Data System (ADS)

Huang, Cheng

High performance soft electronic materials are key elements in advanced electronic devices for broad range applications including capacitors, actuators, artificial muscles and organs, smart materials and structures, microelectromechanical (MEMS) and microfluidic devices, acoustic devices and sensors. This thesis exploits new approaches to improve the electromechanical response and dielectric response of these materials. By making use of novel material phenomena such as large anisotropy in dipolar response in liquid crystals (LCs) and all-organic composites in which high dielectric constant organic solids and conductive polymers are either physically blended into or chemically grafted to a polymer matrix, we demonstrate that high dielectric constant and high electromechanical conversion efficiency comparable to that in ceramic materials can be achieved. Nano-composite approach can also be utilized to improve the performance of the electronic electroactive polymers (EAPs) and composites, for example, exchange coupling between the fillers and matrix with very large dielectric contrast can lead to significantly enhance the dielectric response as well as electromechanical response when the heterogeneity size of the composite is comparable to the exchange length. In addition to the dielectric composites, in which high dielectric constant fillers raise the dielectric constant of composites, conductive percolation can also lead to high dielectric constant in polymeric materials. An all-polymer percolative composite is introduced which exhibits very high dielectric constant (>7,000). The flexible all-polymer composites with a high dielectric constant make it possible to induce a high electromechanical response under a much reduced electric field in the field effect electroactive polymer (EAP) actuators (a strain of 2.65% with an elastic energy density of 0.18 J/cm3 can be achieved under a field of 16 V/mum). Agglomeration of the particles can also be effectively prevented by in situ preparation. High dielectric constant copper phthalocyanine oligomer and conductive polyaniline oligomer were successfully bonded to polyurethane backbone to form fully functionalized nano-phase polymers. Improvement of dispersibility of oligomers in polymer matrix makes the system self-organize the nanocomposites possessing oligomer nanophase (below 30nm) within the fully functionalized polymers. The resulting nanophase polymers significantly enhance the interface effect, which through the exchange coupling raises the dielectric response markedly above that expected from simple mixing rules for dielectric composites. Consequently, these nano-phase polymers offer a high dielectric constant (a dielectric constant near 1,000 at 20 Hz), improve the breakdown field and mechanical properties, and exhibit high electromechanical response. A longitudinal strain of more than -14% can be induced under a much reduced field, 23 V/mum, with an elastic energy density of higher than 1 J/cm3. The elastic modulus is as high as 100MPa, and a transverse strain is 7% under the same field. (Abstract shortened by UMI.)

Structure and elasticity of serpentine at high-pressure

NASA Astrophysics Data System (ADS)

Mookherjee, Mainak; Stixrude, Lars

2009-03-01

Serpentines occur in the subduction zone settings, both along the slab and within the mantle wedge, they are candidates for transporting water in to the deep earth. Their presence is manifested by serpentine mud volcanoes, high electrical conductivities, magnetic and seismic anomalies. Using theoretical methods, we predict a pressure induced structural transformations in serpentine. The transformations are related to the behavior of the silicate framework and misfit between octahedral and tetrahedral layers. As the structure is compressed, the octahedral layer and tetrahedral layers are compressed at different rates. At 7 GPa, the misfit between the layers vanishes. This causes non-linear pressure dependence of tetrahedral rotational angle. This is also manifested by the onset of anomalous pressure dependence of the elastic constants c11, c33, c12, c13. Beyond 7 GPa, the misfit between the layers grows again reaching extremum at 22 GPa. This is also manifested by discontinuity in average Si-O bond length, volume of tetrahedron and re-orientation of hydroxyl vector. The symmetry of the crystal-structure however, remains unaffected. Evidence of pressure-induced hydrogen bonding is absent in serpentine, as evident from reduction of O-H bond length upon compression. Results of compression for the low-pressure regime ( P < 7 GPa) is well represented by a fourth order Birch-Murnaghan finite strain expression with K0 = 79 GPa, K0' = 12 and K0″ = - 2, where K is the bulk modulus, prime indicates pressure derivatives, and O refers to zero pressure. Our best estimates of K0, K0' and the Grüneisen parameter, γ at 300 K and zero pressure based on our results are: 61 GPa, 17, and 0.77, respectively. At low pressures, serpentine structure is anisotropic with c11 ~ 2.4 × c33. The pressure derivative of elastic constants ( ∂cij/ ∂P) are such, that around 22 GPa c11~ c33. An elastic instability ( c66 < 0) at somewhat higher pressures (> 50 GPa) is also noted. The elastic constant tensor reveals large acoustic anisotropy (41% in VP) and seismic wave velocities that are significantly higher than those inferred from experiments on serpentinites.

Low-temperature elastic properties of YbSbPt probed by ultrasound measurements

NASA Astrophysics Data System (ADS)

Nakanishi, Y.; Takahashi, S.; Ohyama, R.; Hasegawa, J.; Nakamura, M.; Suzuki, H.; Yoshizawa, M.

2018-03-01

The elastic properties of a single crystal of the half-Heusler compound YbSbPt have been investigated by means of the ultrasonic measurement. In particular, careful measurements of the temperature (T) dependent elastic constant C 11(T) was performed in the vicinity of its phase transition point near T N of 0.5 K. A clear step-like anomaly accompanied by spin-density-wave type antiferromagnetic (AFM) phase transition was found in the C 11(T) curve. The low-temperature magnetic phase diagram is proposed on the basis of the results. The phase diagram consists of, at least two main distinct phases: a low-field and high-field regime with a transition field of approximately 0.6 T at zero field. We discuss the low-temperature elastic property based on analysis of Landau-type free energy.

Actin-mediated bacterial propulsion: comet profile, velocity pulsations.

PubMed

Benza, V G

2008-05-23

The propulsion of bacteria under the action of an actin gel network is examined in terms of gel concentration dynamics. The model includes the elasticity of the network, the gel-bacterium interaction, the bulk and interface polymerization. A formula for the cruise velocity is obtained where the contributions to bacterial motility arising from elasticity and polymerization are made explicit. Higher velocities correspond to lower concentration peaks and longer tails, in agreement with experimental results. The condition for the onset of motion is explicitly given. The behavior of the system is explored by varying the growth rates and the gel elasticity. At steady state two regimes are found, respectively, of constant and pulsating velocity; in the latter case, the velocity undergoes sudden accelerations and subsequent recoveries. The transition to the pulsating regime is obtained by increasing the elastic response of the gel.

Elasticity Theory Solution of the Problem on Plane Bending of a Narrow Layered Cantilever Beam by Loads at Its Free End

NASA Astrophysics Data System (ADS)

Goryk, A. V.; Koval'chuk, S. B.

2018-05-01

An exact elasticity theory solution for the problem on plane bending of a narrow layered composite cantilever beam by tangential and normal loads distributed on its free end is presented. Components of the stress-strain state are found for the whole layers package by directly integrating differential equations of the plane elasticity theory problem by using an analytic representation of piecewise constant functions of the mechanical characteristics of layer materials. The continuous solution obtained is realized for a four-layer beam with account of kinematic boundary conditions simulating the rigid fixation of its one end. The solution obtained allows one to predict the strength and stiffness of composite cantilever beams and to construct applied analytical solutions for various problems on the elastic bending of layered beams.

Assessing exchange-correlation functionals for elasticity and thermodynamics of α - ZrW 2 O 8 : A density functional perturbation theory study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weck, Philippe F.; Kim, Eunja; Greathouse, Jeffery A.

Elastic and thermodynamic properties of negative thermal expansion (NTE) αα-ZrW2O8 have been calculated using PBEsol and PBE exchange-correlation functionals within the framework of density functional perturbation theory (DFPT). Measured elastic constants are reproduced within ~2% with PBEsol and 6% with PBE. The thermal evolution of the Grüneisen parameter computed within the quasi-harmonic approximation exhibits negative values below the Debye temperature, consistent with observation. The standard molar heat capacity is predicted to be Cmore » $$O\\atop{P}$$=192.2 and 193.8 J mol -1K -1 with PBEsol and PBE, respectively. These results suggest superior accuracy of DFPT/PBEsol for studying the lattice dynamics, elasticity and thermodynamics of NTE materials.« less

Nonstationary Deformation of an Elastic Layer with Mixed Boundary Conditions

NASA Astrophysics Data System (ADS)

Kubenko, V. D.

2016-11-01

The analytic solution to the plane problem for an elastic layer under a nonstationary surface load is found for mixed boundary conditions: normal stress and tangential displacement are specified on one side of the layer (fourth boundary-value problem of elasticity) and tangential stress and normal displacement are specified on the other side of the layer (second boundary-value problem of elasticity). The Laplace and Fourier integral transforms are applied. The inverse Laplace and Fourier transforms are found exactly using tabulated formulas and convolution theorems for various nonstationary loads. Explicit analytical expressions for stresses and displacements are derived. Loads applied to a constant surface area and to a surface area varying in a prescribed manner are considered. Computations demonstrate the dependence of the normal stress on time and spatial coordinates. Features of wave processes are analyzed

Elastic gauge fields and Hall viscosity of Dirac magnons

NASA Astrophysics Data System (ADS)

Ferreiros, Yago; Vozmediano, María A. H.

2018-02-01

We analyze the coupling of elastic lattice deformations to the magnon degrees of freedom of magnon Dirac materials. For a honeycomb ferromagnet we find that, as happens in the case of graphene, elastic gauge fields appear coupled to the magnon pseudospinors. For deformations that induce constant pseudomagnetic fields, the spectrum around the Dirac nodes splits into pseudo-Landau levels. We show that when a Dzyaloshinskii-Moriya interaction is considered, a topological gap opens in the system and a Chern-Simons effective action for the elastic degrees of freedom is generated. Such a term encodes a phonon Hall viscosity response, entirely generated by quantum fluctuations of magnons living in the vicinity of the Dirac points. The magnon Hall viscosity vanishes at zero temperature, and grows as temperature is raised and the states around the Dirac points are increasingly populated.

Assessing exchange-correlation functionals for elasticity and thermodynamics of α - ZrW 2 O 8 : A density functional perturbation theory study

DOE PAGES

Weck, Philippe F.; Kim, Eunja; Greathouse, Jeffery A.; ...

2018-03-15

Elastic and thermodynamic properties of negative thermal expansion (NTE) αα-ZrW2O8 have been calculated using PBEsol and PBE exchange-correlation functionals within the framework of density functional perturbation theory (DFPT). Measured elastic constants are reproduced within ~2% with PBEsol and 6% with PBE. The thermal evolution of the Grüneisen parameter computed within the quasi-harmonic approximation exhibits negative values below the Debye temperature, consistent with observation. The standard molar heat capacity is predicted to be Cmore » $$O\\atop{P}$$=192.2 and 193.8 J mol -1K -1 with PBEsol and PBE, respectively. These results suggest superior accuracy of DFPT/PBEsol for studying the lattice dynamics, elasticity and thermodynamics of NTE materials.« less

Elastic moduli of a smectic membrane: a rod-level scaling analysis

NASA Astrophysics Data System (ADS)

Wensink, H. H.; Morales Anda, L.

2018-02-01

Chiral rodlike colloids exposed to strong depletion attraction may self-assemble into chiral membranes whose twisted director field differs from that of a 3D bulk chiral nematic. We formulate a simple microscopic variational theory to determine the elastic moduli of rods assembled into a bidimensional smectic membrane. The approach is based on a simple Onsager-Straley theory for a non-uniform director field that we apply to describe rod twist within the membrane. A microscopic approach enables a detailed estimate of the individual Frank elastic moduli (splay, twist and bend) as well as the twist penetration depth of the smectic membrane in relation to the rod density and shape. We find that the elastic moduli are distinctly different from those of a bulk nematic fluid, with the splay elasticity being much stronger and the curvature elasticity much weaker than for rods assembled in a three-dimensional nematic fluid. We argue that the use of the simplistic one-constant approximation in which all moduli are assumed to be of equal magnitude is not appropriate for modelling the structure-property relation of smectic membranes.

Elastic-Mathematical Theory of Cells and Mitochondria in Swelling Process

PubMed Central

Mela, M. J.

1968-01-01

The elastic behavior of the cell wall as a function of the temperature has been studied with particular attention being given to the swelling of egg cells of Strongylocentrotus purpuratus and Crassostrea virginica in different sea water concentrations at different temperatures. It was found that the modulus of elasticity is a nonlinear function of temperature. At about 12-13°C the modulus of elasticity (E) is constant, independent of the stress (σ) and strain (εν) which exist at the cell wall; the membranous material follows Hooke's law, and E ≈ 3 × 107 dyn/cm2 for S. purpuratus and C. virginica. When the temperature is higher or lower than 12-13°C, the modulus of elasticity increases, and the membranous material does not follow Hooke's law, but is almost directly proportional to the stresses existing at the cell wall. On increasing the stress, the function Eσ = E(σ) approaches saturation. The corresponding stress-strain diagrams, σ = σ(εν), and the graphs, Eσ = E(σ) and Eσ = E(t) are given. The cyto-elastic phenomena at the membrane are discussed. PMID:5689191

Ab initio study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals.

PubMed

Zhu, L-F; Friák, M; Lymperakis, L; Titrian, H; Aydin, U; Janus, A M; Fabritius, H-O; Ziegler, A; Nikolov, S; Hemzalová, P; Raabe, D; Neugebauer, J

2013-04-01

We employ ab initio calculations and investigate the single-crystalline elastic properties of (Ca,Mg)CO3 crystals covering the whole range of concentrations from pure calcite CaCO3 to pure magnesite MgCO3. Studying different distributions of Ca and Mg atoms within 30-atom supercells, our theoretical results show that the energetically most favorable configurations are characterized by elastic constants that nearly monotonously increase with the Mg content. Based on the first principles-derived single-crystalline elastic anisotropy, the integral elastic response of (Ca,Mg)CO3 polycrystals is determined employing a mean-field self-consistent homogenization method. As in case of single-crystalline elastic properties, the computed polycrystalline elastic parameters sensitively depend on the chemical composition and show a significant stiffening impact of Mg atoms on calcite crystals in agreement with the experimental findings. Our analysis also shows that it is not advantageous to use a higher-scale two-phase mix of stoichiometric calcite and magnesite instead of substituting Ca atoms by Mg ones on the atomic scale. Such two-phase composites are not significantly thermodynamically favorable and do not provide any strong additional stiffening effect. Copyright © 2013 Elsevier Ltd. All rights reserved.

Structure, Elastic Constants and XRD Spectra of Extended Solids under High Pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Batyrev, I. G.; Coleman, S. P.; Ciezak-Jenkins, J. A.

We present results of evolutionary simulations based on density functional calculations of a potentially new type of energetic materials called extended solids: P-N and N-H. High-density structures with covalent bonds generated using variable and fixed concentration methods were analysed in terms of thermo-dynamical stability and agreement with experimental X-ray diffraction (XRD) spectra. X-ray diffraction spectra were calculated using a virtual diffraction algorithm that computes kinematic diffraction intensity in three-dimensional reciprocal space before being reduced to a two-theta line profile. Calculated XRD patterns were used to search for the structure of extended solids present at experimental pressures by optimizing data accordingmore » to experimental XRD peak position, peak intensity and theoretically calculated enthalpy. Elastic constants has been calculated for thermodynamically stable structures of P-N system.« less

Ab Initio Simulation Beryllium in Solid Molecular Hydrogen: Elastic Constant

NASA Astrophysics Data System (ADS)

Guerrero, Carlo L.; Perlado, Jose M.

2016-03-01

In systems of inertial confinement fusion targets Deuterium-Tritium are manufactured with a solid layer, it must have specific properties to increase the efficiency of ignition. Currently there have been some proposals to model the phases of hydrogen isotopes and hence their high pressure, but these works do not allow explaining some of the structures present at the solid phase change effect of increased pressure. By means of simulation with first principles methods and Quantum Molecular Dynamics, we compare the structural difference of solid molecular hydrogen pure and solid molecular hydrogen with beryllium, watching beryllium inclusion in solid hydrogen matrix, we obtain several differences in mechanical properties, in particular elastic constants. For C11 the difference between hydrogen and hydrogen with beryllium is 37.56%. This may produce a non-uniform initial compression and decreased efficiency of ignition.

Calculated temperature dependence of elastic constants and phonon dispersion of hcp and bcc beryllium

NASA Astrophysics Data System (ADS)

Hahn, Steven; Arapan, Sergiu; Harmon, Bruce; Eriksson, Olle

2011-03-01

Conventional first principle methods for calculating lattice dynamics are unable to calculate high temperature thermophysical properties of materials containing modes that are entropically stabilized. In this presentation we use a relatively new approach called self-consistent ab initio lattice dynamics (SCAILD) to study the hcp to bcc transition (1530 K) in beryllium. The SCAILD method goes beyond the harmonic approximation to include phonon-phonon interactions and produces a temperature-dependent phonon dispersion. In the high temperature bcc structure, phonon-phonon interactions dynamically stabilize the N-point phonon. Fits to the calculated phonon dispersion were used to determine the temperature dependence of the elastic constants in the hcp and bcc phases. Work at the Ames Laboratory was supported by the Department of Energy-Basic Energy Sciences under Contract No. DE-AC02-07CH11358.

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

PubMed

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

2013-05-01

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

Chains are more flexible under tension

PubMed Central

Carrillo, Jan-Michael Y.; Rubinstein, Michael

2010-01-01

The mechanical response of networks, gels, and brush layers is a manifestation of the elastic properties of the individual macromolecules. Furthermore, the elastic response of macromolecules to an applied force is the foundation of the single-molecule force spectroscopy techniques. The two main classes of models describing chain elasticity include the worm-like and freely-jointed chain models. The selection between these two classes of models is based on the assumptions about chain flexibility. In many experimental situations the choice is not clear and a model describing the crossover between these two limiting classes is therefore in high demand. We are proposing a unified chain deformation model which describes the force-deformation curve in terms of the chain bending constant K and bond length b. This model demonstrates that the worm-like and freely-jointed chain models correspond to two different regimes of polymer deformation and the crossover between these two regimes depends on the chain bending rigidity and the magnitude of the applied force. Polymer chains with bending constant K>1 behave as a worm-like chain under tension in the interval of the applied forces f ≤ KkBT/b and as a freely-jointed chain for f ≥ KkBT/b (kB is the Boltzmann constant and T is the absolute temperature). The proposed crossover expression for chain deformation is in excellent agreement with the results of the molecular dynamics simulations of chain deformation and single-molecule deformation experiments of biological and synthetic macromolecules. PMID:21415940

Effect of matrix elasticity on the continuous foaming of food models.

PubMed

Narchi, I; Vial, Ch; Djelveh, G

2008-12-01

The aim is to understand the effect of matrix elasticity on continuous foaming using food models based on glucose syrup. This was modified by adding polyacrylamide (PAA) with 2% whey protein isolate (WPI) or Tween 80 as foaming agents. Foaming was conducted in a stirred column. Rotation speed N and gas-to-liquid flow ratio (G/L) were varied. Overrun, average bubble size d (32), texture and stability were measured using densimetry, image analysis, and rheometry, respectively. Experimental results showed that 0.01% PAA did not modify the viscosity of 2% WPI models, but conferred low elastic behavior. PAA (0.05%) doubled matrix viscosity and drastically increased elasticity. The increase of elasticity became slower for further PAA addition. Foaming experiments demonstrated that theoretical overrun could not be achieved for inelastic WPI models in two cases: for high viscosity and low N, as dispersion effectiveness was reduced; for high G/L and N because of enhanced coalescence. Matrix elasticity was shown to increase overrun at constant viscosity for high G/L by enhancing interface stabilization. However, in elastic models, gas dispersion was more difficult and d (32) was higher than in inelastic fluids of similar viscosity. Finally, when the limiting step was dispersion, foaming was shown to be negatively affected by matrix elasticity.

A new method for the visualization and quantification of internal skin elasticity by ultrasound imaging.

PubMed

Osanai, Osamu; Ohtsuka, Mayumi; Hotta, Mitsuyuki; Kitaharai, Takashi; Takema, Yoshinori

2011-08-01

Skin elasticity has been assessed previously only in the surface layer. We developed a new method that uses tissue strain imaging (TSI) technology, and the aim of this study was to test this new method to assess internal skin elasticity. Using a pressure device with a 12 MHz ultrasound transducer, constant and linear compressions were applied to the cheek skin of 35 volunteers (aged: 20-60 years). The elasticity of each layer (dermis, subcutaneous and muscle) was measured and analyzed using the TSI application software incorporated into the Toshiba Aplio(™) XV ultrasound system. A skin tissue-equivalent phantom, which is a block of material with the acoustic velocity (1530 m/s) of human skin, was collaboratively developed by OST Inc. This phantom was placed between the skin and the transducer as a reference material. Skin elasticity was clearly visualized and quantified in each layer of the skin. Age-dependent decreases in elasticity were determined in all layers of the skin. Among the three internal skin layers, the highest elasticity was determined in the subcutaneous layer followed by the muscle layer. These findings support the validity and sensitivity of the TSI method to assess the elasticity of various layers of skin. © 2011 John Wiley & Sons A/S.

An overview of self-consistent methods for fiber-reinforced composites

NASA Technical Reports Server (NTRS)

Gramoll, Kurt C.; Freed, Alan D.; Walker, Kevin P.

1991-01-01

The Walker et al. (1989) self-consistent method to predict both the elastic and the inelastic effective material properties of composites is examined and compared with the results of other self-consistent and elastically based solutions. The elastic part of their method is shown to be identical to other self-consistent methods for non-dilute reinforced composite materials; they are the Hill (1965), Budiansky (1965), and Nemat-Nasser et al. (1982) derivations. A simplified form of the non-dilute self-consistent method is also derived. The predicted, elastic, effective material properties for fiber reinforced material using the Walker method was found to deviate from the elasticity solution for the v sub 31, K sub 12, and mu sub 31 material properties (fiber is in the 3 direction) especially at the larger volume fractions. Also, the prediction for the transverse shear modulus, mu sub 12, exceeds one of the accepted Hashin bounds. Only the longitudinal elastic modulus E sub 33 agrees with the elasticity solution. The differences between the Walker and the elasticity solutions are primarily due to the assumption used in the derivation of the self-consistent method, i.e., the strain fields in the inclusions and the matrix are assumed to remain constant, which is not a correct assumption for a high concentration of inclusions.

Scale-dependent effects on wave propagation in magnetically affected single/double-layered compositionally graded nanosize beams

NASA Astrophysics Data System (ADS)

Ebrahimi, Farzad; Barati, Mohammad Reza

2018-04-01

This article deals with the wave propagation analysis of single/double layered functionally graded (FG) size-dependent nanobeams in elastic medium and subjected to a longitudinal magnetic field employing nonlocal elasticity theory. Material properties of nanobeam change gradually according to the sigmoid function. Applying an analytical solution, the acoustical and optical dispersion relations are explored for various wave number, nonlocality parameter, material composition, elastic foundation constants, and magnetic field intensity. It is found that frequency and phase velocity of waves propagating in S-FGM nanobeam are significantly affected by these parameters. Also, presence of cut-off and escape frequencies in wave propagation analysis of embedded S-FGM nanobeams is investigated.

The electronic structure, elastic and optical properties of Cu2ZnGe(SexS1 - x)4 alloys: density functional calculations

NASA Astrophysics Data System (ADS)

Shen, Kesheng; Jia, Guangrui; Zhang, Xianzhou; Jiao, Zhaoyong

2016-10-01

The electronic structure, elastic and optical properties of Cu2ZnGe(SexS1 - x)4 alloys are systematically analysed using first-principles calculations. The lattice parameters agree well with the theoretical and experimental values which are searched as complete as possible indicating our calculations are reliable. The elastic properties are investigated first and are compared with the similar compounds CZTS and CZTSe due to the unavailable experimental data currently. The variation of the optical properties caused by the increase of Se/S ratio is discussed. The static optical constants are calculated and the corrected values are also predicted according to the available experimental data.

High pressure and temperature induced structural and elastic properties of lutetium chalcogenides

NASA Astrophysics Data System (ADS)

Shriya, S.; Kinge, R.; Khenata, R.; Varshney, Dinesh

2018-04-01

The high-pressure structural phase transition and pressure as well temperature induced elastic properties of rock salt to CsCl structures in semiconducting LuX (X = S, Se, and Te) chalcogenides compound have been performed using effective interionic interaction potential with emphasis on charge transfer interactions and covalent contribution. Estimated values of phase transition pressure and the volume discontinuity in pressure-volume phase diagram indicate the structural phase transition from ZnS to NaCl structure. From the investigations of elastic constants the pressure (temperature) dependent volume collapse/expansion, melting temperature TM, Hardness (HV), and young modulus (E) the LuX lattice infers mechanical stiffening, and thermal softening.

Structural, Electronic and Elastic Properties of Heavy Fermion YbTM2 (TM= Ir and Pt) Laves Phase Compounds

NASA Astrophysics Data System (ADS)

Pawar, H.; Shugani, M.; Aynyas, M.; Sanyal, S. P.

2018-02-01

The structural, electronic and elastic properties of YbTM2 (TM = Ir and Pt) Laves phase intermetallic compounds which crystallize in cubic (MgCu2-type) structure, have been investigated using ab-initio full potential linearized augmented plane wave (FP-LAPW) method with LDA and LDA+U approximation. The calculated ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B‧) are in good agreement with available experimental and theoretical data. The electronic properties are analyzed from band structures and density of states. Elastic constants are predicted first time for these compounds which obey the stability criteria for cubic system.

The single crystal elastic constants of hexagonal SiC to 1000 C

NASA Technical Reports Server (NTRS)

Li, Z.; Bradt, R. C.

1988-01-01

The relationships between the sound velocities in the cubic and hexagonal crystal structures and the tensor transformations for the two structures are applied to determine the elastic stiffnesses for the hexagonal structures of SiC to 1000 C. These results are then applied to calculate the polycrystalline elastic moduli, E and G, and their temperature variations. The calculated values for E and G at 20 C are 420 and 180 GPa; for (dE/dT) and (dG/dT), the values are -0.020 and -0.007 GPa/C, respectively.These agree well with published experimental values for E and G of dense polycrystalline alpha silicon carbides.

Elasticity dominates strength and failure in metallic glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Z. Q.; Qu, R. T.; Zhang, Z. F., E-mail: zhfzhang@imr.ac.cn

2015-01-07

Two distinct deformation mechanisms of shearing and volume dilatation are quantitatively analyzed in metallic glasses (MGs) from the fundamental thermodynamics. Their competition is deduced to intrinsically dominate the strength and failure behaviors of MGs. Both the intrinsic shear and normal strengths give rise to the critical mechanical energies to activate destabilization of amorphous structures, under pure shearing and volume dilatation, respectively, and can be determined in terms of elastic constants. By adopting an ellipse failure criterion, the strength and failure behaviors of MGs can be precisely described just according to their shear modulus and Poisson's ratio without mechanical testing. Quantitativemore » relations are established systematically and verified by experimental results. Accordingly, the real-sense non-destructive failure prediction can be achieved in various MGs. By highlighting the broad key significance of elasticity, a “composition-elasticity-property” scheme is further outlined for better understanding and controlling the mechanical properties of MGs and other glassy materials from the elastic perspectives.« less

Does maltose influence on the elasticity of SOPC membrane?

NASA Astrophysics Data System (ADS)

Genova, J.; Zheliaskova, A.; Mitov, M. D.

2010-11-01

Thermally induced shape fluctuations of giant quasi-spherical lipid vesicles are used to study the influence of the disaccharide maltose, dissolved in the aqueous solution, on the curvature elasticity kc of a lipid membrane. The influence of the carbohydrate solute is investigated throughout a considerably wide interval of concentrations. The values of the bending elastic modulus for 200 mM and 400 mM of maltose in the water solution are obtained. The data for kc in presence of maltose is compared with previously obtained results for this constant for the most popular hydrocarbons: monosaccharides glucose and fructose and disaccharides sucrose and trehalose. It is shown that the presence of maltose, dissolved in the aqueous phase surrounding the membrane does not influence on the bending elasticity with the increase of its concentration in the aqueous solution. Up to our knowledge this is the first sugar that does not show decrease of the bending elastic modulus of the lipid membrane, when present in the water surrounding it in concentration up to 400mM.

Mechanical and Thermophysical Properties of Cubic Rock-Salt AlN Under High Pressure

NASA Astrophysics Data System (ADS)

Lebga, Noudjoud; Daoud, Salah; Sun, Xiao-Wei; Bioud, Nadhira; Latreche, Abdelhakim

2018-03-01

Density functional theory, density functional perturbation theory, and the Debye model have been used to investigate the structural, elastic, sound velocity, and thermodynamic properties of AlN with cubic rock-salt structure under high pressure, yielding the equilibrium structural parameters, equation of state, and elastic constants of this interesting material. The isotropic shear modulus, Pugh ratio, and Poisson's ratio were also investigated carefully. In addition, the longitudinal, transverse, and average elastic wave velocities, phonon contribution to the thermal conductivity, and interesting thermodynamic properties were predicted and analyzed in detail. The results demonstrate that the behavior of the elastic wave velocities under increasing hydrostatic pressure explains the hardening of the corresponding phonons. Based on the elastic stability criteria under pressure, it is found that AlN with cubic rock-salt structure is mechanically stable, even at pressures up to 100 GPa. Analysis of the Pugh ratio and Poisson's ratio revealed that AlN with cubic rock-salt structure behaves in brittle manner.

An In-Depth Tutorial on Constitutive Equations for Elastic Anisotropic Materials

NASA Technical Reports Server (NTRS)

Nemeth, Michael P.

2011-01-01

An in-depth tutorial on the constitutive equations for elastic, anisotropic materials is presented. Basic concepts are introduced that are used to characterize materials, and notions about how anisotropic material deform are presented. Hooke s law and the Duhamel-Neuman law for isotropic materials are presented and discussed. Then, the most general form of Hooke s law for elastic anisotropic materials is presented and symmetry requirements are given. A similar presentation is also given for the generalized Duhamel-Neuman law for elastic, anisotropic materials that includes thermal effects. Transformation equations for stress and strains are presented and the most general form of the transformation equations for the constitutive matrices are given. Then, specialized transformation equations are presented for dextral rotations about the coordinate axes. Next, concepts of material symmetry are introduced and criteria for material symmetries are presented. Additionally, engineering constants of fully anisotropic, elastic materials are derived from first principles and the specialized to several cases of practical importance.

Primary reaction control system/remote manipulator system interaction with loaded arm. Space shuttle engineering and operations support

NASA Technical Reports Server (NTRS)

Taylor, E. C.; Davis, J. D.

1978-01-01

A study of the interaction between the orbiter primary reaction control system (PRCS) and the remote manipulator system (RMS) with a loaded arm is documented. This analysis was performed with the Payload Deployment and Retrieval Systems Simulation (PDRSS) program with the passive arm bending option. The passive-arm model simulates the arm as massless elastic links with locked joints. The study was divided into two parts. The first part was the evaluation of the response of the arm to step inputs (i.e. constant jet torques) about each of the orbiter body axes. The second part of the study was the evaluation of the response of the arm to minimum impulse primary RCS jet firings with both single pulse and pulse train inputs.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Versino, Daniele; Brock, Jerry Steven

In this manuscript we describe test cases for the dynamic sphere problem in presence of finite deformations. The spherical shell in exam is made of a homogeneous, isotropic or transverse isotropic material and elastic and elastic-plastic material behaviors are considered. Twenty cases, (a) to (t), are thus defined combining material types and boundary conditions. The inner surface radius, the outer surface radius and the material's density are kept constant for all the considered test cases and their values are r i = 10mm, r o = 20mm and p = 1000Kg/m 3 respectively.

Proof test of the computer program BUCKY for plasticity problems

NASA Technical Reports Server (NTRS)

Smith, James P.

1994-01-01

A theoretical equation describing the elastic-plastic deformation of a cantilever beam subject to a constant pressure is developed. The theoretical result is compared numerically to the computer program BUCKY for the case of an elastic-perfectly plastic specimen. It is shown that the theoretical and numerical results compare favorably in the plastic range. Comparisons are made to another research code to further validate the BUCKY results. This paper serves as a quality test for the computer program BUCKY developed at NASA Johnson Space Center.

Analysis of Particulate Composite Behavior Based on Nonlinear Elasticity and an Improved Mori-Tanaka Theory

DTIC Science & Technology

1998-09-01

to characterize the weakening constraint power of the matrix as opposed to earlier analyses that used an additional eigenstrain term. It also...matrix Poisson ratio was constant and the inclusions were rigid, he showed that the disturbed strain and the eigenstrain in the Eshelby method could...Eshelby, elastic properties, prediction, energy balance, mechanical behavior, eigenstrain , nonlinear dcd03e So7S&3 UNCLASSIFIED SECURITY CLASSIFICATION OF FORM (Highest classification of Title, Abstract, Keywords)

Fatigue-Crack-Growth Structural Analysis

NASA Technical Reports Server (NTRS)

Newman, J. C., Jr.

1986-01-01

Elastic and plastic deformations calculated under variety of loading conditions. Prediction of fatigue-crack-growth lives made with FatigueCrack-Growth Structural Analysis (FASTRAN) computer program. As cyclic loads are applied to initial crack configuration, FASTRAN predicts crack length and other parameters until complete break occurs. Loads are tensile or compressive and of variable or constant amplitude. FASTRAN incorporates linear-elastic fracture mechanics with modifications of load-interaction effects caused by crack closure. FASTRAN considered research tool, because of lengthy calculation times. FASTRAN written in FORTRAN IV for batch execution.

Methodology based on genetic heuristics for in-vivo characterizing the patient-specific biomechanical behavior of the breast tissues

PubMed Central

Lago, M. A.; Rúperez, M. J.; Martínez-Martínez, F.; Martínez-Sanchis, S.; Bakic, P. R.; Monserrat, C.

2015-01-01

This paper presents a novel methodology to in-vivo estimate the elastic constants of a constitutive model proposed to characterize the mechanical behavior of the breast tissues. An iterative search algorithm based on genetic heuristics was constructed to in-vivo estimate these parameters using only medical images, thus avoiding invasive measurements of the mechanical response of the breast tissues. For the first time, a combination of overlap and distance coefficients were used for the evaluation of the similarity between a deformed MRI of the breast and a simulation of that deformation. The methodology was validated using breast software phantoms for virtual clinical trials, compressed to mimic MRI-guided biopsies. The biomechanical model chosen to characterize the breast tissues was an anisotropic neo-Hookean hyperelastic model. Results from this analysis showed that the algorithm is able to find the elastic constants of the constitutive equations of the proposed model with a mean relative error of about 10%. Furthermore, the overlap between the reference deformation and the simulated deformation was of around 95% showing the good performance of the proposed methodology. This methodology can be easily extended to characterize the real biomechanical behavior of the breast tissues, which means a great novelty in the field of the simulation of the breast behavior for applications such as surgical planing, surgical guidance or cancer diagnosis. This reveals the impact and relevance of the presented work. PMID:27103760

Methodology based on genetic heuristics for in-vivo characterizing the patient-specific biomechanical behavior of the breast tissues.

PubMed

Lago, M A; Rúperez, M J; Martínez-Martínez, F; Martínez-Sanchis, S; Bakic, P R; Monserrat, C

2015-11-30

This paper presents a novel methodology to in-vivo estimate the elastic constants of a constitutive model proposed to characterize the mechanical behavior of the breast tissues. An iterative search algorithm based on genetic heuristics was constructed to in-vivo estimate these parameters using only medical images, thus avoiding invasive measurements of the mechanical response of the breast tissues. For the first time, a combination of overlap and distance coefficients were used for the evaluation of the similarity between a deformed MRI of the breast and a simulation of that deformation. The methodology was validated using breast software phantoms for virtual clinical trials, compressed to mimic MRI-guided biopsies. The biomechanical model chosen to characterize the breast tissues was an anisotropic neo-Hookean hyperelastic model. Results from this analysis showed that the algorithm is able to find the elastic constants of the constitutive equations of the proposed model with a mean relative error of about 10%. Furthermore, the overlap between the reference deformation and the simulated deformation was of around 95% showing the good performance of the proposed methodology. This methodology can be easily extended to characterize the real biomechanical behavior of the breast tissues, which means a great novelty in the field of the simulation of the breast behavior for applications such as surgical planing, surgical guidance or cancer diagnosis. This reveals the impact and relevance of the presented work.

Atomistic and Ab Initio Calculations or Ternary II-IV-V2 Semiconductors

DTIC Science & Technology

1999-12-07

consisting of two- and three-body terms is developed reproducing crystal lattice constants, elastic and dielectric constants very well. The calculated...the lattice . This difference may well be due to defect-induced lattice distortion which plays a key role in stabilizing the hole states in the... lattice . 15. SUBJECT TERMS Chalcopyrites, Defects, Atomistic and AB Initio Calculations 16. SECURITY CLASSIFICATION OF: a. REPORT u b. ABSTRACT U

Measurements of Young's and shear moduli of rail steel at elevated temperatures.

PubMed

Bao, Yuanye; Zhang, Haifeng; Ahmadi, Mehdi; Karim, Md Afzalul; Felix Wu, H

2014-03-01

The design and modelling of the buckling effect of Continuous Welded Rail (CWR) requires accurate material constants, especially at elevated temperatures. However, such material constants have rarely been found in literature. In this article, the Young's moduli and shear moduli of rail steel at elevated temperatures are determined by a new sonic resonance method developed in our group. A network analyser is used to excite a sample hanged inside a furnace through a simple tweeter type speaker. The vibration signal is picked up by a Polytec OFV-5000 Laser Vibrometer and then transferred back to the network analyser. Resonance frequencies in both the flexural and torsional modes are measured, and the Young's moduli and shear moduli are determined through the measured resonant frequencies. To validate the measured elastic constants, the measurements have been repeated by using the classic sonic resonance method. The comparisons of obtained moduli from the two methods show an excellent consistency of the results. In addition, the material elastic constants measured are validated by an ultrasound test based on a pulse-echo method and compared with previous published results at room temperature. The measured material data provides an invaluable reference for the design of CWR to avoid detrimental buckling failure. Copyright © 2013 Elsevier B.V. All rights reserved.

Hierarchic models for laminated plates. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Actis, Ricardo Luis

1991-01-01

Structural plates and shells are three-dimensional bodies, one dimension of which happens to be much smaller than the other two. Thus, the quality of a plate or shell model must be judged on the basis of how well its exact solution approximates the corresponding three-dimensional problem. Of course, the exact solution depends not only on the choice of the model but also on the topology, material properties, loading and constraints. The desired degree of approximation depends on the analyst's goals in performing the analysis. For these reasons models have to be chosen adaptively. Hierarchic sequences of models make adaptive selection of the model which is best suited for the purposes of a particular analysis possible. The principles governing the formulation of hierarchic models for laminated plates are presented. The essential features of the hierarchic models described models are: (1) the exact solutions corresponding to the hierarchic sequence of models converge to the exact solution of the corresponding problem of elasticity for a fixed laminate thickness; and (2) the exact solution of each model converges to the same limit as the exact solution of the corresponding problem of elasticity with respect to the laminate thickness approaching zero. The formulation is based on one parameter (beta) which characterizes the hierarchic sequence of models, and a set of constants whose influence was assessed by a numerical sensitivity study. The recommended selection of these constants results in the number of fields increasing by three for each increment in the power of beta. Numerical examples analyzed with the proposed sequence of models are included and good correlation with the reference solutions was found. Results were obtained for laminated strips (plates in cylindrical bending) and for square and rectangular plates with uniform loading and with homogeneous boundary conditions. Cross-ply and angle-ply laminates were evaluated and the results compared with those of MSC/PROBE. Hierarchic models make the computation of any engineering data possible to an arbitrary level of precision within the framework of the theory of elasticity.

Study of the dynamic properties and effects of temperature using a spring model for the bouncing ball

NASA Astrophysics Data System (ADS)

Wadhwa, Ajay

2013-05-01

We studied the motion of a bouncing ball by representing it through an equivalent mass-spring system executing damped harmonic oscillations. We represented the elasticity of the system through the spring constant ‘k’ and the viscous damping effect, causing loss of energy, through damping constant ‘c’. By including these two factors we formed a differential equation for the equivalent mass-spring system of the bouncing ball. This equation was then solved to study the elastic and dynamic properties of its motion by expressing them in terms of experimentally measurable physical quantities such as contact time, coefficient of restitution, etc. We used our analysis for different types of ball material: rubber (lawn-tennis ball, super ball, soccer ball and squash ball) and plastic (table-tennis ball) at room temperature. Since the effect of temperature on the bounce of a squash ball is significant, we studied the temperature dependence of its elastic properties. The experiments were performed using audio and surface-temperature sensors interfaced with a computer through a USB port. The work presented here is suitable for undergraduate laboratories. It particularly emphasizes the use of computer interfacing for conducting conventional physics experiments.

An analytical solution for the elastic response to surface loads imposed on a layered, transversely isotropic and self-gravitating Earth

NASA Astrophysics Data System (ADS)

Pan, E.; Chen, J. Y.; Bevis, M.; Bordoni, A.; Barletta, V. R.; Molavi Tabrizi, A.

2015-12-01

We present an analytical solution for the elastic deformation of an elastic, transversely isotropic, layered and self-gravitating Earth by surface loads. We first introduce the vector spherical harmonics to express the physical quantities in the layered Earth. This reduces the governing equations to a linear system of equations for the expansion coefficients. We then solve for the expansion coefficients analytically under the assumption (i.e. approximation) that in the mantle, the density in each layer varies as 1/r (where r is the radial coordinate) while the gravity is constant and that in the core the gravity in each layer varies linearly in r with constant density. These approximations dramatically simplify the subsequent mathematical analysis and render closed-form expressions for the expansion coefficients. We implement our solution in a MATLAB code and perform a benchmark which shows both the correctness of our solution and the implementation. We also calculate the load Love numbers (LLNs) of the PREM Earth for different degrees of the Legendre function for both isotropic and transversely isotropic, layered mantles with different core models, demonstrating for the first time the effect of Earth anisotropy on the LLNs.

Multi scale modeling of 2450MHz electric field effects on microtubule mechanical properties.

PubMed

Setayandeh, S S; Lohrasebi, A

2016-11-01

Microtubule (MT) rigidity and response to 2450MHz electric fields were investigated, via multi scale modeling approach. For this purpose, six systems were designed and simulated to consider all types of feasible interactions between α and β monomers in MT, by using all atom molecular dynamics method. Subsequently, coarse grain modeling was used to design different lengths of MT. Investigation of effects of external 2450MHz electric field on MT showed MT less rigidity in the presence of such field, which may perturb its functions. Moreover, an additional computational setup was designed to study effects of 2450MHz field on MT response to AFM tip. It was found, more tip velocity led to MT faster transformation and less time was required to change MT elastic response to plastic one, applying constant radius. Moreover it was observed smaller tip caused to increase required time to change MT elastic response to plastic one, considering constant velocity. Furthermore, exposing MT to 2450MHz field led to no significant changes in MT response to AFM tip, but quick change in MT elastic response to plastic one. Copyright © 2016 Elsevier Inc. All rights reserved.

Resonant Acoustic Determination of Complex Elastic Moduli

NASA Technical Reports Server (NTRS)

Brown, David A.; Garrett, Steven L.

1991-01-01

A simple, inexpensive, yet accurate method for measuring the dynamic complex modulus of elasticity is described. Using a 'free-free' bar selectively excited in three independent vibrational modes, the shear modulus is obtained by measuring the frequency of the torsional resonant mode and the Young's modulus is determined from measurement of either the longitudinal or flexural mode. The damping properties are obtained by measuring the quality factor (Q) for each mode. The Q is inversely proportional to the loss tangent. The viscoelastic behavior of the sample can be obtained by tracking a particular resonant mode (and thus a particular modulus) using a phase locked loop (PLL) and by changing the temperature of the sample. The change in the damping properties is obtained by measuring the in-phase amplitude of the PLL which is proportional to the Q of the material. The real and imaginary parts or the complex modulus can be obtained continuously as a function of parameters such as temperature, pressure, or humidity. For homogeneous and isotropic samples only two independent moduli are needed in order to characterize the complete set of elastic constants, thus, values can be obtained for the dynamic Poisson's ratio, bulk modulus, Lame constants, etc.

Viscoelastic Lithosphere Response and Stress Memory of Tectonic Force History (Invited)

NASA Astrophysics Data System (ADS)

Kusznir, N. J.

2009-12-01

While great attention is often paid to the details of creep deformation mechanisms, brittle failure and their compositional controls when predicting the response of lithosphere to tectonic forces, the lithosphere’s elastic properties are usually neglected; a viscous rheology alone is often used to predict the resulting distribution of stress with depth or to determine lithosphere strength. While this may simplify geodynamic modelling of lithosphere response to tectonic processes, the omission of the elastic properties can often give misleading or false predictions. The addition of the elastic properties of lithosphere material in the form of a visco-elastic rheology results is a fundamentally different lithosphere response. This difference can be illustrated by examining the application of horizontal tectonic force to a section of lithosphere incorporating the brittle-visco-elastic response of each infinitesimal lithosphere layer with temperature and stress dependent viscous rheology. The transient response of a visco-elastic lithosphere to a constant applied tectonic force and the resulting distribution of stress with depth are substantially different from that predicted by a viscous lithosphere model, with the same lithosphere composition and temperature structure, subjected to a constant lateral strain rate. For visco-elastic lithosphere subject to an applied horizontal tectonic force, viscous creep in the lower crust and mantle leads to stress decay in these regions and to stress amplification in the upper lithosphere through stress redistribution. Cooling of lithosphere with a visco-elastic rheology results in thermal stresses which, as a consequence of stress dissipation by creep and brittle failure, results in a complex and sometimes counter-intuitive distribution of stress with depth. This can be most clearly illustrated for the cooling of oceanic lithosphere, however similar or more complex behaviour can be expected to occur for continental lithosphere. The application of changes in applied tectonic force with time to a visco-elastic lithosphere model results in reversals in the sign of stress with depth as a consequence of the “memory” of past stress dissipation by creep and brittle deformation. Because of this “memory”, locally stress polarity may be opposite to that of the current applied tectonic force. A lithosphere with viscous rheology displays no such “memory” of the applied tectonic stress history. The stress “memory” of lithosphere with visco-elastic rheology to its history of applied tectonic force, heating and cooling adds to its effective rheological complexity, particularly for continental lithosphere.

Porous calcium polyphosphate bone substitutes: additive manufacturing versus conventional gravity sinter processing-effect on structure and mechanical properties.

PubMed

Hu, Youxin; Shanjani, Yaser; Toyserkani, Ehsan; Grynpas, Marc; Wang, Rizhi; Pilliar, Robert

2014-02-01

Porous calcium polyphosphate (CPP) structures proposed as bone-substitute implants and made by sintering CPP powders to form bending test samples of approximately 35 vol % porosity were machined from preformed blocks made either by additive manufacturing (AM) or conventional gravity sintering (CS) methods and the structure and mechanical characteristics of samples so made were compared. AM-made samples displayed higher bending strengths (≈1.2-1.4 times greater than CS-made samples), whereas elastic constant (i.e., effective elastic modulus of the porous structures) that is determined by material elastic modulus and structural geometry of the samples was ≈1.9-2.3 times greater for AM-made samples. X-ray diffraction analysis showed that samples made by either method displayed the same crystal structure forming β-CPP after sinter annealing. The material elastic modulus, E, determined using nanoindentation tests also showed the same value for both sample types (i.e., E ≈ 64 GPa). Examination of the porous structures indicated that significantly larger sinter necks resulted in the AM-made samples which presumably resulted in the higher mechanical properties. The development of mechanical properties was attributed to the different sinter anneal procedures required to make 35 vol % porous samples by the two methods. A primary objective of the present study, in addition to reporting on bending strength and sample stiffness (elastic constant) characteristics, was to determine why the two processes resulted in the observed mechanical property differences for samples of equivalent volume percentage of porosity. An understanding of the fundamental reason(s) for the observed effect is considered important for developing improved processes for preparation of porous CPP implants as bone substitutes for use in high load-bearing skeletal sites. Copyright © 2013 Wiley Periodicals, Inc.

Probing the Effect of Hydrogen on Elastic Properties and Plastic Deformation in Nickel Using Nanoindentation and Ultrasonic Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lawrence, Samantha K.; Somerday, Brian P.; Ingraham, Mathew Duffy

Hydrogen effects on small-volume plasticity and elastic stiffness constants are investigated with nanoindentation of Ni-201 and sonic velocity measurements of bulk Ni single crystals. Elastic modulus of Ni-201, calculated from indentation data, decreases ~22% after hydrogen charging. This substantial decrease is independently confirmed by sonic velocity measurements of Ni single crystals; c 44 decreases ~20% after hydrogen exposure. Furthermore, clear hydrogen-deformation interactions are observed. The maximum shear stress required to nucleate dislocations in hydrogen-charged Ni-201 is markedly lower than in as-annealed material, driven by hydrogen-reduced shear modulus. Additionally, a larger number of depth excursions are detected prior to general yieldingmore » in hydrogen-charged material, suggesting cross-slip restriction. Together, these data reveal direct correlation between hydrogen-affected elastic properties and plastic deformation in Ni alloys.« less

Probing the Effect of Hydrogen on Elastic Properties and Plastic Deformation in Nickel Using Nanoindentation and Ultrasonic Methods

DOE PAGES

Lawrence, Samantha K.; Somerday, Brian P.; Ingraham, Mathew Duffy; ...

2018-04-11

Hydrogen effects on small-volume plasticity and elastic stiffness constants are investigated with nanoindentation of Ni-201 and sonic velocity measurements of bulk Ni single crystals. Elastic modulus of Ni-201, calculated from indentation data, decreases ~22% after hydrogen charging. This substantial decrease is independently confirmed by sonic velocity measurements of Ni single crystals; c 44 decreases ~20% after hydrogen exposure. Furthermore, clear hydrogen-deformation interactions are observed. The maximum shear stress required to nucleate dislocations in hydrogen-charged Ni-201 is markedly lower than in as-annealed material, driven by hydrogen-reduced shear modulus. Additionally, a larger number of depth excursions are detected prior to general yieldingmore » in hydrogen-charged material, suggesting cross-slip restriction. Together, these data reveal direct correlation between hydrogen-affected elastic properties and plastic deformation in Ni alloys.« less

Elastic properties of iron-based superconductor SrFe2(As1-xPx)2

NASA Astrophysics Data System (ADS)

Horikoshi, Keita; Imai, Jo; Nakanishi, Yoshiki; Nakamura, Mitsuteru; Kobayashi, Tatsuya; Adachi, Toru; Miyasaka, Shigeki; Tajima, Setsuko; Yoshizawa, Masahito

2018-05-01

We have measured the transverse elastic constants C44 and C66 of iron-based superconductor SrFe2(As1-xPx)2 (Sr122) single crystals as a function of temperature. Under-doped samples show elastic anomalies towards the structural/magnetic transition temperature. Optimal sample shows an upturn at the superconducting transition temperature in both C44 and C66. These behavior is similar to Ba122, while only C66 shows anomaly for Ba122. The elastic anomalies were analyzed by Jahn-Teller formula, and it was found that the Jahn-Teller energy of C44 is much larger than that of C66. This indicates that monoclinic structural fluctuations exist inherently in Sr122 in addition to the known tetragonal fluctuations. Co-existence of these diverse fluctuations and their cooperation are a key to investigate the mechanism and properties of superconductivity in iron based superconductors.

The elasticity of soap bubbles containing wormlike micelles.

PubMed

Sabadini, Edvaldo; Ungarato, Rafael F S; Miranda, Paulo B

2014-01-28

Slow-motion imaging of the rupture of soap bubbles generally shows the edges of liquid films retracting at a constant speed (known as the Taylor-Culick velocity). Here we investigate soap bubbles formed from simple solutions of a cationic surfactant (cetyltrimethylammonium bromide - CTAB) and sodium salicylate. The interaction of salicylate ions with CTAB leads to the formation of wormlike micelles (WLM), which yield a viscoelastic behavior to the liquid film of the bubble. We demonstrate that these elastic bubbles collapse at a velocity up to 30 times higher than the Taylor-Culick limit, which has never been surpassed. This is because during the bubble inflation, the entangled WLM chains stretch, storing elastic energy. This extra energy is then released during the rupture of the bubble, yielding an additional driving force for film retraction (besides surface tension). This new mechanism for the bursting of elastic bubbles may have important implications to the breakup of viscoelastic sprays in industrial applications.

Elastic properties of some transition metal arsenides

NASA Astrophysics Data System (ADS)

Nayak, Vikas; Verma, U. P.; Bisht, P. S.

2018-05-01

The elastic properties of transition metal arsenides (TMAs) have been studied by employing Wien2K package based on density functional theory in the zinc blende (ZB) and rock salt (RS) phase treating valance electron scalar relativistically. Further, we have also treated them non-relativistically to find out the relativistic effect. We have calculated the elastic properties by computing the volume conservative stress tensor for small strains, using the method developed by Charpin. The obtained results are discussed in paper. From the obtained results, it is clear that the values of C11 > C12 and C44 for all the compounds. The values of shear moduli of these compounds are also calculated. The internal parameter for these compounds shows that ZB structures of these compounds have high resistance against bond order. We find that the estimated elastic constants are in good agreement with the available data.

Atomistic calculations of interface elastic properties in noncoherent metallic bilayers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mi Changwen; Jun, Sukky; Kouris, Demitris A.

2008-02-15

The paper describes theoretical and computational studies associated with the interface elastic properties of noncoherent metallic bicrystals. Analytical forms of interface energy, interface stresses, and interface elastic constants are derived in terms of interatomic potential functions. Embedded-atom method potentials are then incorporated into the model to compute these excess thermodynamics variables, using energy minimization in a parallel computing environment. The proposed model is validated by calculating surface thermodynamic variables and comparing them with preexisting data. Next, the interface elastic properties of several fcc-fcc bicrystals are computed. The excess energies and stresses of interfaces are smaller than those on free surfacesmore » of the same crystal orientations. In addition, no negative values of interface stresses are observed. Current results can be applied to various heterogeneous materials where interfaces assume a prominent role in the systems' mechanical behavior.« less

Probing the Effect of Hydrogen on Elastic Properties and Plastic Deformation in Nickel Using Nanoindentation and Ultrasonic Methods

NASA Astrophysics Data System (ADS)

Lawrence, S. K.; Somerday, B. P.; Ingraham, M. D.; Bahr, D. F.

2018-04-01

Hydrogen effects on small-volume plasticity and elastic stiffness constants are investigated with nanoindentation of Ni-201 and sonic velocity measurements of bulk Ni single crystals. Elastic modulus of Ni-201, calculated from indentation data, decreases 22% after hydrogen charging. This substantial decrease is independently confirmed by sonic velocity measurements of Ni single crystals; c 44 decreases 20% after hydrogen exposure. Furthermore, clear hydrogen-deformation interactions are observed. The maximum shear stress required to nucleate dislocations in hydrogen-charged Ni-201 is markedly lower than in as-annealed material, driven by hydrogen-reduced shear modulus. Additionally, a larger number of depth excursions are detected prior to general yielding in hydrogen-charged material, suggesting cross-slip restriction. Together, these data reveal a direct correlation between hydrogen-affected elastic properties and plastic deformation in Ni alloys.

First-principles investigations on structural, elastic, electronic properties and Debye temperature of orthorhombic Ni3Ta under pressure

NASA Astrophysics Data System (ADS)

Li, Pan; Zhang, Jianxin; Ma, Shiyu; Jin, Huixin; Zhang, Youjian; Zhang, Wenyang

2018-06-01

The structural, elastic, electronic properties and Debye temperature of Ni3Ta under different pressures are investigated using the first-principles method based on density functional theory. Our calculated equilibrium lattice parameters at 0 GPa well agree with the experimental and previous theoretical results. The calculated negative formation enthalpies and elastic constants both indicate that Ni3Ta is stable under different pressures. The bulk modulus B, shear modulus G, Young's modulus E and Poisson's ratio ν are calculated by the Voigt-Reuss-Hill method. The bigger ratio of B/G indicates Ni3Ta is ductile and the pressure can improve the ductility of Ni3Ta. In addition, the results of density of states and the charge density difference show that the stability of Ni3Ta is improved by the increasing pressure. The Debye temperature ΘD calculated from elastic modulus increases along with the pressure.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Yu; Gao, Kai; Huang, Lianjie

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 acquiredmore » 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.« less

Brillouin Scattering from Opaque Semiconducting Alloys and Thin Films.

NASA Astrophysics Data System (ADS)

Krabach, Timothy Norbert

Brillouin scattering spectra were measured in MBE grown single crystal films of Al_{ rm x}Ga_{rm 1 - x}As alloys and Al_{ rm x}Ga_{rm 1 - x}As-GaAs superlattices on GaAs substrates, and GaAs films grown on miscut Si substrates. To detect the Brillouin shifted light against the strong elastic background present in opaque materials, a tandem multipass Fabry-Perot system was designed and constructed, providing high resolution and contrast. Scattering from both surface and bulk acoustic waves were used to derive information on the elastic and dielectric constants of Al_{rm x}Ga_{rm 1 - x} As alloys. The surface acoustic wave velocities along the (100) and (110) axes were measured for a number of aluminum concentrations. In samples that were transparent to the exciting laser frequency, a leaky surface longitudinal wave was also observed. By fitting to this data, the elastic constants as a function of alloy concentration were found to be c_{11} = 11.88 + 0.05x, c_{12} = 5.38 + 1.6x, and c_{44} = 5.95 - .8x (times 10^{10} dyn/cm ^2). Scattering from bulk acoustic waves was used to measure the complex index of refraction. The results agree very closely with previous ellipsometric data. Spectra were taken on two superlattices and compared to an alloy of the same average aluminum concentration. No differences were seen in the acoustic velocities or the index of refraction. Brillouin spectra taken of GaAs films on Si exhibited peaks due to acoustic waves trapped in the film. The dispersion curves of these modes as a function of wavevector were fitted by using the bulk elastic constants of GaAs and Si. The good fit obtained, and the narrowness of the peaks, are corroborating evidence of the high crystalline quality of these films.

Silicate garnet studies at high pressures: A view into the Earth's mantle

NASA Astrophysics Data System (ADS)

Conrad, Pamela Gales

Silicate garnets are an abundant component in the Earth's upper mantle and transition zone. Therefore, an understanding of garnet behavior under the pressure and temperature conditions of the mantle is critical to the development of models for mantle mineralogy and dynamics. Work from three projects is presented in this report. Each investigation explores an aspect of silicate garnet behavior under high pressures. Moreover, each investigation was made possible by state-of-the-art methods that have previously been unavailable. Brillouin scattering was used to determine the elastic constants and aggregate elastic moduli of three end-member garnets at high pressures in a diamond anvil cell. These are the first high-pressure measurements of the elastic constants of end-member silicate garnets by direct measurement of acoustic velocities. The results indicate that the pressure dependence of silicate garnet elastic constants varies with composition. Therefore, extrapolation from measurements on mixed composition garnets is not possible. A new method of laser heating minerals in a diamond anvil cell has made possible the determination of the high-pressure and high-temperature stability of almandine garnet. This garnet does not transform to a silicate perovskite phase as does pyrope garnet, but it decomposes to its constituent oxides: FeO, Alsb2Osb3, and SiOsb2. These results disprove an earlier prediction that ferrous iron may expand the stability field of garnet to the lower mantle. The present results demonstrate that this is not the case. The third topic is a presentation of the results of a new technique for studying inclusions in mantle xenoliths with synchrotron X-ray microdiffraction. The results demonstrate the importance of obtaining structural as well as chemical information on inclusions within diamonds and other high-pressure minerals. An unusual phase with garnet composition is investigated and several other phases are identified from a suite of natural diamonds that are thought to have a lower mantle origin.

Antiplane wave scattering from a cylindrical cavity in pre-stressed nonlinear elastic media

PubMed Central

Shearer, Tom; Parnell, William J.; Abrahams, I. David

2015-01-01

The effect of a longitudinal stretch and a pressure-induced inhomogeneous radial deformation on the scattering of antiplane elastic waves from a cylindrical cavity is determined. Three popular nonlinear strain energy functions are considered: the neo-Hookean, the Mooney–Rivlin and a two-term Arruda–Boyce model. A new method is developed to analyse and solve the governing wave equations. It exploits their properties to determine an asymptotic solution in the far-field, which is then used to derive a boundary condition to numerically evaluate the equations local to the cavity. This method could be applied to any linear ordinary differential equation whose inhomogeneous coefficients tend to a constant as its independent variable tends to infinity. The effect of the pre-stress is evaluated by considering the scattering cross section. A longitudinal stretch is found to decrease the scattered power emanating from the cavity, whereas a compression increases it. The effect of the pressure difference depends on the strain energy function employed. For a Mooney–Rivlin material, a cavity inflation increases the scattered power and a deflation decreases it; for a neo-Hookean material, the scattering cross section is unaffected by the radial deformation; and for a two-term Arruda–Boyce material, both inflation and deflation are found to decrease the scattered power. PMID:26543398

Internally Consistent Single-Crystal Elasticity of (Mg0.89Fe0.11)2SiO4 Wadsleyite at High Pressures and High Temperatures

NASA Astrophysics Data System (ADS)

Buchen, J.; Marquardt, H.; Kurnosov, A.; Boffa Ballaran, T.; Speziale, S.; Kawazoe, T.

2016-12-01

The transition zone in Earth's upper mantle attains a pivotal role in deep Earth dynamics. Various scenarios for the fate of subducted lithospheric slabs have been identified from seismic tomographic images while petrological observations point to potential reservoirs of volatile elements in the transition zone. Among the mineral phases expected to assemble a mantle rock at depths between 410 km and 520 km, wadsleyite stands out with a remarkable hydrogen storage capacity of several weight percent H2O, a volume fraction of about 60 % for a pyrolitic mantle composition, and the potential to cause seismic anisotropy. Interpretations of seismological observations in terms of the thermal and mineralogical state of the upper transition zone rely on the elastic properties of wadsleyite at the prevailing conditions of pressure and temperature including its elastic anisotropy. We have determined internally consistent single-crystal elastic constants for wadsleyite with a relevant composition ((Mg0.89Fe0.11)1.98H0.04SiO4, 0.25(3) wt-% H2O) up to a pressure of 16 GPa at room temperature and conducted first measurements at combined high pressures and high temperatures. Single-crystal segments were cut from oriented thin sections with a focused ion beam and complementary orientations loaded together into the same pressure chamber of resistively heated diamond anvil cells. Using this two-sample approach and a combination of Brillouin spectroscopy and single-crystal X-ray diffraction, all nine independent elastic constants can be obtained under consistent conditions of pressure and temperature. Comparison of our room temperature results with those reported for wadsleyites with different iron contents suggests a very small effect of Fe-Mg substitution on the bulk modulus while the shear modulus decreases with increasing iron content. This differential effect of iron on the elastic moduli bears the potential to be seismically distinguishable from the signatures of temperature or other chemical substituents like volatile elements. The two-sample approach is currently being extended to four crystal segments to directly quantify the effect of hydrogen incorporation on the elastic behavior of iron-bearing wadsleyite.

Demand for pneumococcal vaccination under subsidy program for the elderly in Japan.

PubMed

Kondo, Masahide; Yamamura, Mariko; Hoshi, Shu-Ling; Okubo, Ichiro

2012-09-12

Vaccination programs often organize subsidies and public relations in order to obtain high uptake rates and coverage. However, effects of subsidies and public relations have not been studied well in the literature. In this study, the demand function of pneumococcal vaccination among the elderly in Japan is estimated, incorporating effects of public relations and subsidy. Using a data from a questionnaire survey sent to municipalities, the varying and constant elasticity models were applied to estimate the demand function. The response variable is the uptake rate. Explanatory variables are: subsidy supported shot price, operating years of the program, target population size for vaccination, shot location intensity, income and various public relations tools. The best model is selected by c-AIC, and varying and constant price elasticities are calculated from estimation results. The vaccine uptake rate and the shot price have a negative relation. From the results of varying price elasticity, the demand for vaccination is elastic at municipalities with a shot price higher than 3,708 JPY (35.7 USD). Effects of public relations on the uptake rate are not found. It can be suggested that municipalities with a shot price higher than 3,708 JPY (35.7 USD) could subsidize more and reduce price to increase the demand for vaccination. Effects of public relations are not confirmed in this study, probably due to measurement errors of variables used for public relations, and studies at micro level exploring individual's response to public relations would be required.

Elasticity of ferropericlase across the spin crossover in the Earth’s lower mantle

DOE PAGES

Yang, Jing; Tong, Xinyue; Lin, Jung-Fu; ...

2015-12-01

Knowing the elasticity of ferropericlase across the spin transition can help explain seismic and mineralogical models of the lower-mantle including the origin of seismic heterogeneities in the middle to lowermost parts of the lower mantle1–4. However, the effects of spin transition on full elastic constants of ferropericlase remain experimentally controversial due to technical challenges in directly measuring sound velocities under lower-mantle conditions1–5. Here we have reliably measured both V P and V S of a single-crystal ferropericlase ((Mg 0.92,Fe 0.08)O) using complementary Brillouin Light Scattering and Impulsive Stimulated Light Scattering coupled with a diamond anvil cell up to 96 GPa.more » The derived elastic constants show drastically softened C 11 and C 12 within the spin transition at 40–60 GPa while C 44 is not affected. The spin transition is associated with a significant reduction of the aggregate V P/V S via the aggregate V P softening because V S softening does not visibly occur within the transition. Based on thermoelastic modelling along an expected geotherm, the spin crossover in ferropericlase can contribute to 2% reduction in V P/V S in a pyrolite mineralogical model in mid lower-mantle. Our results indicate that the middle to lowermost parts of the lower-mantle would exhibit enhanced seismic heterogeneities due to the occurrence of the mixed-spin and low-spin ferropericlase.« less

Temperature-dependent elastic anisotropy and mesoscale deformation in a nanostructured ferritic alloy

DOE PAGES

Stoica, G. M.; Stoica, A. D.; Miller, M. K.; ...

2014-10-10

Nanostructured ferritic alloys (NFA) are a new class of ultrafine-grained oxide dispersion-strengthened steels, promising for service in extreme environments of high temperature and high irradiation in the next-generation of nuclear reactors. This is owing to the remarkable stability of their complex microstructures containing a high density of Y-Ti-O nanoclusters within grains and along the grain boundaries. While nanoclusters have been recognized to be the primary contributor to the exceptional resistance to irradiation and high-temperature creep, very little is known about the mechanical roles of the polycrystalline grains that constitute the bulk ferritic matrix. Here we report the mesoscale characterization ofmore » anisotropic responses of the ultrafine NFA grains to tensile stresses at various temperatures using the state-of-the-art in situ neutron diffraction. We show the first experimental determination of temperature-dependent single-crystal elastic constants for the NFA, and reveal a strong temperature-dependent elastic anisotropy due to a sharp decrease in the shear stiffness constant [c'=(c_11-c_12)/2] when a critical temperature ( T_c ) is approached, indicative of elastic softening and instability of the ferritic matrix. We also show, from anisotropy-induced intergranular strain/stress accumulations, that a common dislocation slip mechanism operates at the onset of yielding for low temperatures, while there is a deformation crossover from low-temperature lattice hardening to high temperature lattice softening in response to extensive plastic deformation.« less

Ab initio study of the structural, electronic, elastic and thermal conductivity properties of SrClF with pressure effects

NASA Astrophysics Data System (ADS)

Lv, Zhen-Long; Cui, Hong-Ling; Wang, Hui; Li, Xiao-Hong; Ji, Guang-Fu

2017-04-01

SrClF is an important optical crystal and can be used as pressure gauge in diamond anvil cell at high pressure. In this work, we performed a systematic study on the structural, electronic and elastic properties of SrClF under pressure, as well as its thermal conductivity, by first-principles calculation. Different exchange-correlation functionals were tested and PBESOL was finally chosen to study these properties of SrClF. Studies reveal that SrClF has a bulk modulus of about 56.2 GPa (by fitting equation of states) or 54.3 GPa (derived from elastic constants), which agree well with the experimental result. SrClF is mechanically and dynamically stable up to 50 GPa. Its elastic constants increase with the applied pressure, but its mechanical anisotropy deteriorates as the pressure increases. Investigation of its electronic properties reveals that SrClF is a direct band-gap insulator with a gap value of 5.73 eV at 0 GPa, which decreases with the increasing pressure and the reason is found by analysing the partial density of states. Based on the calculated phonon dispersion curves, thermal conductivity of SrClF is predicated. At ambient conditions, the predicted thermal conductivity is about 3.74 Wm-1 K-1, while that obtained using the simplified Slack model give a slightly larger value of 4.62 Wm-1 K-1.

Vibrational and elastic properties of Ln2Sn2O7 (Ln = La, Sm, Gd, Dy, Ho, Er, Yb, or Lu)

NASA Astrophysics Data System (ADS)

Akbudak, S.; Kushwaha, A. K.

2018-04-01

In this study, an eight-parameter bond-bending force constant model was used to calculate the zone center phonon frequencies, elastic constants, and related properties of the stannate compounds Ln2Sn2O7 (Ln = La, Sm, Gd, Dy, Ho, Er, Yb, or Lu) with a pyrochlore structure. We found that the Snsbnd O bond strengths dominate the Ln-O and Osbnd O bonds. We also found that all of the materials are ductile and anisotropic in nature. The anisotropic nature of the compounds increases in the order of: La2Sn2O7 < Sm2Sn2O7 < Gd2Sn2O7 < Dy2Sn2O7 < Ho2Sn2O7 < Er2Sn2O7 < Yb2Sn2O7 < Lu2Sn2O7.

Lattice dynamics and lattice thermal conductivity of thorium dicarbide

NASA Astrophysics Data System (ADS)

Liao, Zongmeng; Huai, Ping; Qiu, Wujie; Ke, Xuezhi; Zhang, Wenqing; Zhu, Zhiyuan

2014-11-01

The elastic and thermodynamic properties of ThC2 with a monoclinic symmetry have been studied by means of density functional theory and direct force-constant method. The calculated properties including the thermal expansion, the heat capacity and the elastic constants are in a good agreement with experiment. Our results show that the vibrational property of the C2 dimer in ThC2 is similar to that of a free standing C2 dimer. This indicates that the C2 dimer in ThC2 is not strongly bonded to Th atoms. The lattice thermal conductivity for ThC2 was calculated by means of the Debye-Callaway model. As a comparison, the conductivity of ThC was also calculated. Our results show that the ThC and ThC2 contributions of the lattice thermal conductivity to the total conductivity are 29% and 17%, respectively.

Ab initio study of phase stability of NaZr{sub 2}(PO{sub 4}){sub 3} under pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chinnappan, Ravi; Kaur, Gurpreet; Panigrahi, B. K.

2016-05-23

The elastic constants of NaZr{sub 2}(PO{sub 4}){sub 3} were computed as a function of pressure through Density Functional Theory calculations. The behavior of elastic constants show that the rhombohedral (R-3c) NaZr{sub 2}(PO{sub 4}){sub 3} becomes unstable above 8 GPa and is driven by softening of C{sub 44} through one of the Born stability criteria. High pressure equation of state and enthalpy show further that the ambient rhombohedral (R-3c)) NaZr{sub 2}(PO{sub 4}){sub 3} transforms first to another rhombohedral (R3) phase and subsequently to LiZr{sub 2}(PO{sub 4}){sub 3}-type orthorhombic phase at pressures above 6 and 8 GPa respectively which are in agreement with recentmore » X-ray diffraction study.« less

An approach for maximizing the smallest eigenfrequency of structure vibration based on piecewise constant level set method

NASA Astrophysics Data System (ADS)

Zhang, Zhengfang; Chen, Weifeng

2018-05-01

Maximization of the smallest eigenfrequency of the linearized elasticity system with area constraint is investigated. The elasticity system is extended into a large background domain, but the void is vacuum and not filled with ersatz material. The piecewise constant level set (PCLS) method is applied to present two regions, the original material region and the void region. A quadratic PCLS function is proposed to represent the characteristic function. Consequently, the functional derivative of the smallest eigenfrequency with respect to PCLS function takes nonzero value in the original material region and zero in the void region. A penalty gradient algorithm is proposed, which initializes the whole background domain with the original material and decreases the area of original material region till the area constraint is satisfied. 2D and 3D numerical examples are presented, illustrating the validity of the proposed algorithm.

A simplified method for elastic-plastic-creep structural analysis

NASA Technical Reports Server (NTRS)

Kaufman, A.

1984-01-01

A simplified inelastic analysis computer program (ANSYPM) was developed for predicting the stress-strain history at the critical location of a thermomechanically cycled structure from an elastic solution. The program uses an iterative and incremental procedure to estimate the plastic strains from the material stress-strain properties and a plasticity hardening model. Creep effects are calculated on the basis of stress relaxation at constant strain, creep at constant stress or a combination of stress relaxation and creep accumulation. The simplified method was exercised on a number of problems involving uniaxial and multiaxial loading, isothermal and nonisothermal conditions, dwell times at various points in the cycles, different materials and kinematic hardening. Good agreement was found between these analytical results and nonlinear finite element solutions for these problems. The simplified analysis program used less than 1 percent of the CPU time required for a nonlinear finite element analysis.

A simplified method for elastic-plastic-creep structural analysis

NASA Technical Reports Server (NTRS)

Kaufman, A.

1985-01-01

A simplified inelastic analysis computer program (ANSYPM) was developed for predicting the stress-strain history at the critical location of a thermomechanically cycled structure from an elastic solution. The program uses an iterative and incremental procedure to estimate the plastic strains from the material stress-strain properties and a plasticity hardening model. Creep effects are calculated on the basis of stress relaxation at constant strain, creep at constant stress or a combination of stress relaxation and creep accumulation. The simplified method was exercised on a number of problems involving uniaxial and multiaxial loading, isothermal and nonisothermal conditions, dwell times at various points in the cycles, different materials and kinematic hardening. Good agreement was found between these analytical results and nonlinear finite element solutions for these problems. The simplified analysis program used less than 1 percent of the CPU time required for a nonlinear finite element analysis.

An equilibrium method for prediction of transverse shear stresses in a thick laminated plate

NASA Technical Reports Server (NTRS)

Chaudhuri, R. Z.

1986-01-01

First two equations of equilibrium are utilized to compute the transverse shear stress variation through thickness of a thick laminated plate after in-plane stresses have been computed using an assumed quadratic displacement triangular element based on transverse inextensibility and layerwise constant shear angle theory (LCST). Centroid of the triangle is the point of exceptional accuracy for transverse shear stresses. Numerical results indicate close agreement with elasticity theory. An interesting comparison between the present theory and that based on assumed stress hybrid finite element approach suggests that the latter does not satisfy the condition of free normal traction at the edge. Comparison with numerical results obtained by using constant shear angle theory suggests that LCST is close to the elasticity solution while the CST is closer to classical (CLT) solution. It is also demonstrated that the reduced integration gives faster convergence when the present theory is applied to a thin plate.

Constitutive Modelling of Resins in the Stiffness Domain

NASA Astrophysics Data System (ADS)

Klasztorny, M.

2004-09-01

An analytic method for inverting the constitutive compliance equations of viscoelasticity for resins is developed. These equations describe the HWKK/H rheological model, which makes it possible to simulate, with a good accuracy, short-, medium- and long-term viscoelastic processes in epoxy and polyester resins. These processes are of first-rank reversible isothermal type. The time histories of deviatoric stresses are simulated with three independent strain history functions of fractional and normal exponential types. The stiffness equations are described by two elastic and six viscoelastic constants having a clear physic meaning (three long-term relaxation coefficients and three relaxation times). The time histories of axiatoric stresses are simulated as perfectly elastic. The inversion method utilizes approximate constitutive stiffness equations of viscoelasticity for the HWKK/H model. The constitutive compliance equations for the model are a basis for determining the exact complex shear stiffness, whereas the approximate constitutive stiffness equations are used for determining the approximate complex shear stiffness. The viscoelastic constants in the stiffness domain are derived by equating the exact and approximate complex shear stiffnesses. The viscoelastic constants are obtained for Epidian 53 epoxy and Polimal 109 polyester resins. The accuracy of the approximate constitutive stiffness equations are assessed by comparing the approximate and exact complex shear stiffnesses. The constitutive stiffness equations for the HWKK/H model are presented in uncoupled (shear/bulk) and coupled forms. Formulae for converting the constants of shear viscoelasticity into the constants of coupled viscoelasticity are given as well.

Sensitivity of Force Fields on Mechanical Properties of Metals Predicted by Atomistic Simulations

NASA Astrophysics Data System (ADS)

Rassoulinejad-Mousavi, Seyed Moein; Zhang, Yuwen

Increasing number of micro/nanoscale studies for scientific and engineering applications, leads to huge deployment of atomistic simulations such as molecular dynamics and Monte-Carlo simulation. Many complains from users in the simulation community arises for obtaining wrong results notwithstanding of correct simulation procedure and conditions. Improper choice of force field, known as interatomic potential is the likely causes. For the sake of users' assurance, convenience and time saving, several interatomic potentials are evaluated by molecular dynamics. Elastic properties of multiple FCC and BCC pure metallic species are obtained by LAMMPS, using different interatomic potentials designed for pure species and their alloys at different temperatures. The potentials created based on the Embedded Atom Method (EAM), Modified EAM (MEAM) and ReaX force fields, adopted from available open databases. Independent elastic stiffness constants of cubic single crystals for different metals are obtained. The results are compared with the experimental ones available in the literature and deviations for each force field are provided at each temperature. Using current work, users of these force fields can easily judge on the one they are going to designate for their problem.

Elastic-Plastic Behaviour of Ultrasonic Assisted Compression of Polyvinyl Chloride (PVC) Foam

NASA Astrophysics Data System (ADS)

Muhalim, N. A. D.; Hassan, M. Z.; Daud, Y.

2018-04-01

The present study aims to investigate the elastic-plastic behaviour of ultrasonic assisted compression of PVC closed-cell foam. A series of static and ultrasonic compression test of PVC closed-cell foam were conducted at a constant cross head speed of 30 mm/min on dry surface condition. For quasi-static test, specimen was compressed between two rigid platens using universal testing machine. In order to evaluate the specimen behavior under ultrasonic condition, specimen was placed between a specifically design double-slotted block horn and rigid platen. The horn was designed and fabricated prior to the test as a medium to transmit the ultrasonic vibration from the ultrasonic transducer to the working specimen. It was tuned to a frequency of 19.89 kHz in longitudinal mode and provided an average oscillation amplitude at 6 µm on the uppermost surface. Following, the characteristics of stress-strain curves for quasi-static and ultrasonic compression tests were analyzed. It was found that the compressive stress was significantly reduced at the onset of superimposed ultrasonic vibration during plastic deformation.

Structural, Electronic and Elastic Properties of Half-Heusler Alloys CrNiZ (Z = Al, Si, Ge and As)

NASA Astrophysics Data System (ADS)

Zitouni, A.; Benstaali, W.; Abbad, A.; Lantri, T.; Bouadjemi, B.; Aziz, Z.

2018-06-01

In the present work, a self-consistent ab-initio calculation using the full- potential linearized augmented plane wave (FP-LAPW) method within the framework of the spin-polarized density functional theory (DFT) was used to study the structural, electronic, magnetic and elastic properties of the half Heusler alloys CrNiZ (Z = Al, Si, Ge and As) in three phases ( α, β and γ phases). The generalized gradient approximation (GGA) described by Perdew-Burke-Ernzerhof (PBE) was used. The results obtained for the spin-polarized band structure and the density of states show a halfmetallic behavior for the four compounds. The elastic constants ( C ij ) show that our compounds are ductile, stiff and anisotropic.

Pressure induced structural phase transition in metal nitrides: An effective interionic potential calculations

NASA Astrophysics Data System (ADS)

Soni, Shubhangi; Choudhary, K. K.; Kaurav, Netram

2018-05-01

Structural and elastic properties of transition metal nitrides, XN (X = Co, Fe and Cu), are investigated through an effective inter-ionic potential method. The B3(ZnS) type ambient crystal structure of these compounds undergoes to B1(NaCl) type structure with pressure. Structural phase transition pressure in CoN, FeN and CuN was 35, 55 and 35 GPa, respectively, predicated by computing Gibbs' free energy (G) as a function of pressure and has good agreement with available theoretical results. The elastic properties were also estimated as a function of pressure. It is found that the elastic constants increased linearly with increasing pressure due to stronger hybridization, bonding and covalent properties of constituent elements of a compound.

High-temperature elastic properties of a nickel-based superalloy studied by surface Brillouin scattering

NASA Astrophysics Data System (ADS)

Zhang, X.; Stoddart, P. R.; Comins, J. D.; Every, A. G.

2001-03-01

Surface Brillouin scattering (SBS) has been used to study the thermally induced surface vibrations (phonons) and thereby obtain the elastic properties of the nickel-based superalloy CMSX-4. SBS spectra have been acquired for a range of wavevector directions in the (001) surface in the single-crystal specimen to determine the angular variation of SAW velocities and the nature of the various excitations. Rayleigh and pseudo-surface acoustic waves as well as the details of the Lamb shoulder are studied, and the elastic constants and engineering moduli are determined using different, but self-consistent, methods at ambient and high temperatures. Calculations of the SBS spectra using surface Green function methods are in good agreement with the experimental results.

Elastic-mathematical theory of cells and mitochondria in swelling process. II. Effect of temperature upon modulus of elasticity of membranous material of egg cells of sea urchin, Strongylocentrotus purpuratus, and of oyster, Crassostrea virginica.

PubMed

Mela, M J

1968-01-01

The elastic behavior of the cell wall as a function of the temperature has been studied with particular attention being given to the swelling of egg cells of Strongylocentrotus purpuratus and Crassostrea virginica in different sea water concentrations at different temperatures. It was found that the modulus of elasticity is a nonlinear function of temperature. At about 12-13 degrees C the modulus of elasticity (E) is constant, independent of the stress (sigma) and strain (epsilon(nu)) which exist at the cell wall; the membranous material follows Hooke's law, and E approximately 3 x 10(7) dyn/cm(2) for S. purpuratus and C. virginica. When the temperature is higher or lower than 12-13 degrees C, the modulus of elasticity increases, and the membranous material does not follow Hooke's law, but is almost directly proportional to the stresses existing at the cell wall. On increasing the stress, the function E(sigma) = E(sigma) approaches saturation. The corresponding stress-strain diagrams, sigma = sigma(epsilon(nu)), and the graphs, E(sigma) = E(sigma) and E(sigma) = E(t) are given. The cyto-elastic phenomena at the membrane are discussed.

Mechanical Model Analysis for Quantitative Evaluation of Liver Fibrosis Based on Ultrasound Tissue Elasticity Imaging

NASA Astrophysics Data System (ADS)

Shiina, Tsuyoshi; Maki, Tomonori; Yamakawa, Makoto; Mitake, Tsuyoshi; Kudo, Masatoshi; Fujimoto, Kenji

2012-07-01

Precise evaluation of the stage of chronic hepatitis C with respect to fibrosis has become an important issue to prevent the occurrence of cirrhosis and to initiate appropriate therapeutic intervention such as viral eradication using interferon. Ultrasound tissue elasticity imaging, i.e., elastography can visualize tissue hardness/softness, and its clinical usefulness has been studied to detect and evaluate tumors. We have recently reported that the texture of elasticity image changes as fibrosis progresses. To evaluate fibrosis progression quantitatively on the basis of ultrasound tissue elasticity imaging, we introduced a mechanical model of fibrosis progression and simulated the process by which hepatic fibrosis affects elasticity images and compared the results with those clinical data analysis. As a result, it was confirmed that even in diffuse diseases like chronic hepatitis, the patterns of elasticity images are related to fibrous structural changes caused by hepatic disease and can be used to derive features for quantitative evaluation of fibrosis stage.

Postbuckling of magneto-electro-elastic CNT-MT composite nanotubes resting on a nonlinear elastic medium in a non-uniform thermal environment

NASA Astrophysics Data System (ADS)

Kamali, M.; Shamsi, M.; Saidi, A. R.

2018-03-01

As a first endeavor, the effect of nonlinear elastic foundation on the postbuckling behavior of smart magneto-electro-elastic (MEE) composite nanotubes is investigated. The composite nanotube is affected by a non-uniform thermal environment. A typical MEE composite nanotube consists of microtubules (MTs) and carbon nanotubes (CNTs) with a MEE cylindrical nanoshell for smart control. It is assumed that the nanoscale layers of the system are coupled by a polymer matrix or filament network depending on the application. In addition to thermal loads, magneto-electro-mechanical loads are applied to the composite nanostructure. Length scale effects are taken into account using the nonlocal elasticity theory. The principle of virtual work and von Karman's relations are used to derive the nonlinear governing differential equations of MEE CNT-MT nanotubes. Using Galerkin's method, nonlinear critical buckling loads are determined. Various types of non-uniform temperature distribution in the radial direction are considered. Finally, the effects of various parameters such as the nonlinear constant of elastic medium, thermal loading factor and small scale coefficient on the postbuckling of MEE CNT-MT nanotubes are studied.

Nematic liquid crystals on sinusoidal channels: the zigzag instability.

PubMed

Silvestre, Nuno M; Romero-Enrique, Jose M; Telo da Gama, Margarida M

2017-01-11

Substrates which are chemically or topographically patterned induce a variety of liquid crystal textures. The response of the liquid crystal to competing surface orientations, typical of patterned substrates, is determined by the anisotropy of the elastic constants and the interplay of the relevant lengths scales, such as the correlation length and the surface geometrical parameters. Transitions between different textures, usually with different symmetries, may occur under a wide range of conditions. We use the Landau-de Gennes free energy to investigate the texture of nematics in sinusoidal channels with parallel anchoring bounded by nematic-air interfaces that favour perpendicular (hometropic) anchoring. In micron size channels 5CB was observed to exhibit a non-trivial texture characterized by a disclination line, within the channel, which is broken into a zigzag pattern. Our calculations reveal that when the elastic anisotropy of the nematic does not favour twist distortions the defect is a straight disclination line that runs along the channel, which breaks into a zigzag pattern with a characteristic period, when the twist elastic constant becomes sufficiently small when compared to the splay and bend constants. The transition occurs through a twist instability that drives the defect line to rotate from its original position. The interplay between the energetically favourable twist distortions that induce the defect rotation and the liquid crystal anchoring at the surfaces leads to the zigzag pattern. We investigate in detail the dependence of the periodicity of the zigzag pattern on the geometrical parameters of the sinusoidal channels, which in line with the experimental results is found to be non-linear.

Fractures of the growing mandible.

PubMed

Kushner, George M; Tiwana, Paul S

2009-03-01

Oral and maxillofacial surgeons must constantly weigh the risks of surgical intervention for pediatric mandible fractures against the wonderful healing capacity of children. The majority of pediatric mandibular fractures can be managed with closed techniques using short periods of maxillomandibular fixation or training elastics alone. Generally, the use of plate- and screw-type internal fixation is reserved for difficult fractures. This article details general and special considerations for this surgery including: craniofacial growth & development, surgical anatomy, epidemiology evaluation, various fractures, the role rigid internal fixation and the Risdon cable in pediatric maxillofacial trauma. It concludes with suggestions concerning long-term follow-up care in light of the mobility, insurance obstacles, and family dynamics facing the patient population.

Harmonic elastic inclusions in the presence of point moment

NASA Astrophysics Data System (ADS)

Wang, Xu; Schiavone, Peter

2017-12-01

We employ conformal mapping techniques to design harmonic elastic inclusions when the surrounding matrix is simultaneously subjected to remote uniform stresses and a point moment located at an arbitrary position in the matrix. Our analysis indicates that the uniform and hydrostatic stress field inside the inclusion as well as the constant hoop stress along the entire inclusion-matrix interface (on the matrix side) are independent of the action of the point moment. In contrast, the non-elliptical shape of the harmonic inclusion depends on both the remote uniform stresses and the point moment.

Measurement of leaky Lamb wave dispersion curves with application on coating characterization

NASA Astrophysics Data System (ADS)

Lee, Yung-Chun; Cheng, Sheng Wen

2001-04-01

This paper describes a new measurement system for measuring dispersion curves of leaky Lamb waves. The measurement system is based on a focusing PVDF transducer, the defocusing measurement, the V(f,z) waveform processing method, and an image displaying technique. The measurement system is applied for the determination of thin-film elastic properties, namely Young's modulus and shear modulus, by the inversion of dispersion curves measured from a thin-film/plate configuration. Elastic constants of electro-deposited nickel layers are determined with this method.

Leads and Quality Enlistments: The Relative Impacts of Joint and Navy Specific Advertising on Production of Upper Mental, HSDG (High School Degree Graduate), Male, Navy Enlistments,

DTIC Science & Technology

1983-03-01

regression parameters being interpreted as elasticities, e.g., the elasticity of a given resource on NOIC leads is the percentage increase in NOIC leads that...would have been expected if a 1% increase in the resource had occurred, everything else being held constant. This model has the important features that...the total minimm cost of increasing NOIC - Navy leads from the various sources. Using the so-called duality relationship associated with a generalized

Mechanical stiffening and thermal softening of rare earth chalcogenides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shriya, S.; Varshney, Dinesh; Singh, Namita, E-mail: namita.singh.2050@gmail.com

2014-04-24

The pressure and temperature dependent elastic properties such as melting temperature nature in REX; (RE = La, Pr, Eu; X = O, S, Se, Te) chalcogenides is computed with emphasis on charge transfer interactions and covalent contribution in the effective interionic interaction potential. The pressure dependent elastic constants and melting temperature confirms that REX chalcogens lattice get stiffened as a consequence of bond compression and bond strengthening, however thermal softening arose due to bond expansion and bond weakening is evidenced from temperature dependence of melting temperature (T{sub M})

Rheological properties of polymer melts with high elasticity

NASA Astrophysics Data System (ADS)

Feranc, Jozef; Matvejová, Martina; Alexy, Pavol; Pret'o, Jozef; Hronkovič, Ján

2017-05-01

In the recent years efforts to complex description of the rheological characteristic increase even in the case of polymeric blends with high part of elastic deformation. However, unlike the most thermoplastic these blends have a certain specific features. Besides the already mentioned the higher part of elastic deformation it is especially higher viscosity, which are shown mainly for the measurement in the range of high shear rates. For this reason, the presented work is focused on the description of measurement methodology for blends with high part of elastic deformation using capillary rheometer. The measurements were carried out on a commercial polymer blend with trade name A517 based on rubbery polymer. Capillary rheometer Gottfert RG 75 was used, with diameter of chamber 15 mm. Measurements were performed using capillaries with different ratio of length/diameter at temperature 100°C. Because of existence elastic part of deformation, it is not possible to achieve a steady state pressure using measurements at constant volumetric flow at high shear rates. Therefore we decided to measure the flow characteristic using isobaric mode.

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

NASA Astrophysics Data System (ADS)

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.

Synergistic effect of alloying elements doping and external pressure on the elastic property of Ni{sub 3}Al: A first-principles study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, C., E-mail: lichun@nwpu.edu.cn; Shang, J.; Yue, Z.

2015-07-15

In this paper, the basic electronic structures and elastic properties of Ni{sub 3}Al doping with alloying elements (Re, Cr, and Mo) under different pressures have been investigated using first-principles calculations based on density functional theory. It is shown that both alloying elements and external applied pressure contribute positively to the elastic properties of Ni{sub 3}Al, and the configurations of the compounds remain almost unchanged. The calculated elastic constants and moduli increase linearly with the pressure increasing from 0 and 40 GPa. Among the alloying elements studied in the present work, Re exhibits the most significant effect compared with the othermore » elements, showing its practical importance. Especially, if both alloying elements doping and pressure effects are considered simultaneously, which has not been considered previously, the studied compounds exhibit an even better elastic property than the simple superposition of the two influences. Such synergistic effect demonstrates promising applications of Ni-based single crystal superalloys in possible extreme mechanical environments.« less

Second order Method for Solving 3D Elasticity Equations with Complex Interfaces

PubMed Central

Wang, Bao; Xia, Kelin; Wei, Guo-Wei

2015-01-01

Elastic materials are ubiquitous in nature and indispensable components in man-made devices and equipments. When a device or equipment involves composite or multiple elastic materials, elasticity interface problems come into play. The solution of three dimensional (3D) elasticity interface problems is significantly more difficult than that of elliptic counterparts due to the coupled vector components and cross derivatives in the governing elasticity equation. This work introduces the matched interface and boundary (MIB) method for solving 3D elasticity interface problems. The proposed MIB elasticity interface scheme utilizes fictitious values on irregular grid points near the material interface to replace function values in the discretization so that the elasticity equation can be discretized using the standard finite difference schemes as if there were no material interface. The interface jump conditions are rigorously enforced on the intersecting points between the interface and the mesh lines. Such an enforcement determines the fictitious values. A number of new techniques has been developed to construct efficient MIB elasticity interface schemes for dealing with cross derivative in coupled governing equations. The proposed method is extensively validated over both weak and strong discontinuity of the solution, both piecewise constant and position-dependent material parameters, both smooth and nonsmooth interface geometries, and both small and large contrasts in the Poisson’s ratio and shear modulus across the interface. Numerical experiments indicate that the present MIB method is of second order convergence in both L∞ and L2 error norms for handling arbitrarily complex interfaces, including biomolecular surfaces. To our best knowledge, this is the first elasticity interface method that is able to deliver the second convergence for the molecular surfaces of proteins.. PMID:25914422

Thermodynamic stability in elastic systems: Hard spheres embedded in a finite spherical elastic solid.

PubMed

Solano-Altamirano, J M; Goldman, Saul

2015-12-01

We determined the total system elastic Helmholtz free energy, under the constraints of constant temperature and volume, for systems comprised of one or more perfectly bonded hard spherical inclusions (i.e. "hard spheres") embedded in a finite spherical elastic solid. Dirichlet boundary conditions were applied both at the surface(s) of the hard spheres, and at the outer surface of the elastic solid. The boundary conditions at the surface of the spheres were used to describe the rigid displacements of the spheres, relative to their initial location(s) in the unstressed initial state. These displacements, together with the initial positions, provided the final shape of the strained elastic solid. The boundary conditions at the outer surface of the elastic medium were used to ensure constancy of the system volume. We determined the strain and stress tensors numerically, using a method that combines the Neuber-Papkovich spherical harmonic decomposition, the Schwartz alternating method, and Least-squares for determining the spherical harmonic expansion coefficients. The total system elastic Helmholtz free energy was determined by numerically integrating the elastic Helmholtz free energy density over the volume of the elastic solid, either by a quadrature, or a Monte Carlo method, or both. Depending on the initial position of the hard sphere(s) (or equivalently, the shape of the un-deformed stress-free elastic solid), and the displacements, either stationary or non-stationary Helmholtz free energy minima were found. The non-stationary minima, which involved the hard spheres nearly in contact with one another, corresponded to lower Helmholtz free energies, than did the stationary minima, for which the hard spheres were further away from one another.

Sub-Micrometer Zeolite Films on Gold-Coated Silicon Wafers with Single-Crystal-Like Dielectric Constant and Elastic Modulus

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tiriolo, Raffaele; Rangnekar, Neel; Zhang, Han

A low-temperature synthesis coupled with mild activation produces zeolite films exhibiting low dielectric constant (low-k) matching the theoretically predicted and experimentally measured values for single crystals. This synthesis and activation method allows for the fabrication of a device consisting of a b-oriented film of the pure-silica zeolite MFI (silicalite-1) supported on a gold-coated silicon wafer. The zeolite seeds are assembled by a manual assembly process and subjected to optimized secondary growth conditions that do not cause corrosion of the gold underlayer, while strongly promoting in-plane growth. The traditional calcination process is replaced with a non-thermal photochemical activation to ensure preservationmore » of an intact gold layer. The dielectric constant (k), obtained through measurement of electrical capacitance in a metal-insulator-metal configuration, highlights the ultralow k approximate to 1.7 of the synthetized films, which is among the lowest values reported for an MFI film. There is large improvement in elastic modulus of the film (E approximate to 54 GPa) over previous reports, potentially allowing for integration into silicon wafer processing technology.« less

Elastic interaction among transition metals in one-dimensional spin-crossover solids

NASA Astrophysics Data System (ADS)

Boukheddaden, K.; Miyashita, S.; Nishino, M.

2007-03-01

We present an exact examination of a one-dimensional (1D) spin-phonon model describing the thermodynamical properties of spin-crossover (SC) solids. This model has the advantage of giving a physical mechanism for the interaction between the SC units. The origin of the interaction comes from the fact that the elastic constant of the spring linking two atoms depends on their electronic states. This leads to local variation of the elastic constant. Up to now, all the statistical studies of this model have been performed in the frame of the mean-field (MF) approach, which is not adequate to describe 1D systems with short-range interactions. An alternative method, based on the variational approach and taking into account the short-range correlations between neighboring molecules, was also suggested, but it consists in an extension of the previous MF approximation. Here, we solve exactly this Hamiltonian in the frame of classical statistical mechanics using the transfer-matrix technique. The temperature dependence of the high spin fraction and that of the total energy are obtained analytically. Our results clearly show that there is a clear tendency to a sharp transition when we tune the elastic constants adequately, which indicates that first-order phase transition takes place at higher dimensions. In addition, we demonstrate the existence of an interesting isomorphism between the present model and Ising model under effective interaction and effective ligand field energy, in which both depend linearly on temperature and both come from the phonon contribution. We have also studied the effect of the pressure (the tension) on the thermodynamical properties of the high spin (HS) fraction and have found a nontrivial pressure effect that while for weak tension values, the low spin state is stabilized for the pressure above a threshold value, it enhances the interaction between the HS states. Finally, we have also introduced elastic interactions between the chains. Treating exactly (in mean field) the intrachain (interchain) contributions, we found that our model leads us to obtain first-order spin transitions when both short- and long-range interactions are ferroelastic. We show also that competing (antiferroelastic short-range and ferroelastic long-range) interactions between spin-state ions reproduce qualitatively the two-step-like spin-crossover transitions.

Measuring the Weak Charge of the Proton and the Hadronic Parity Violation of the N → Δ Transition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leacock, John D.

2012-10-16

Qweak will determine the weak charge of the proton, Q p{sub W}, via an asymmetry measurement of parity-violating elastic electron-proton scattering at low four momentum transfer to a precision of 4%. Q p W has a firm Standard Model prediction and is related to the weak mixing angle, sin 2 Φ W, a well-defined Standard Model parameter. Qweak will probe a subset of new physics to the TeV mass scale and test the Standard Model. The details of how this measurement was performed and the analysis of the 25% elastic dataset will be presented in this thesis. Also, an analysismore » of an auxiliary measurement of the parity-violating asymmetry in the N → Δ transition is presented. It is used as a systematic inelastic background correction in the elastic analysis and to extract information about the hadronic parity violation through the low energy constant, d Δ. The elastic asymmetry at Q 2 = 0.0252 ± 0.0007 GeV 2 was measured to be A ep = -265 ± 40 ± 22 ± 68 ppb (stat., sys., and blinding). Extrapolated to Q 2 = 0, the value of the proton's weak charge was measured to be Q p W = 0.077 ± 0.019 (stat. and sys.) ± 0.026 (blinding). This is within 1 σ of the Standard Model prediction of Q p W = 0.0705 ± 0.0008. The N → Δ inelastic asymmetry at Q 2 = 0.02078 ± 0.0005 GeV 2 and W = 1205 MeV was measured to be A inel = -3.03 ± 0.65 ± 0.73 ± 0.07 ppm (stat., sys., and blinding). This result constrains the low energy constant to be d Δ = 5.8 ± 22g π, and, if the result of the G0 experiment is included, d Δ = 5.8 ± 17g π. This result rules out suggested large values of d Δ motivated by radiative hyperon decays. The elastic measurement is the first direct measurement of the weak charge of the proton while the inelastic measurement is only the second measurement of the neutral current excitation of the Δresonance. It is currently the best constraint for the low energy constant, d Δ.« less

Fundamental Studies of Strengthening Mechanisms in Metals Using Dislocation Dynamics

DTIC Science & Technology

2006-03-26

to quantify the elastic fields of inclusion eigenstrain problems in 2D and 3D (Lerma et al. 2003). The inclusions can be of any shape or size and the... eigenstrains can be arbitrarily assigned, i.e. constant or non-constant within the inclusion. The method works well for material or field points...geometry and misfits. Recently, we have developed a new distributed-dislocation method for modeling eigenstrain problems such as gamma prime inclusions

Influence of nanomechanical crystal properties on the comminution process of particulate solids in spiral jet mills.

PubMed

Zügner, Sascha; Marquardt, Karin; Zimmermann, Ingfried

2006-02-01

Elastic-plastic properties of single crystals are supposed to influence the size reduction process of bulk materials during jet milling. According to Pahl [M.H. Pahl, Zerkleinerungstechnik 2. Auflage. Fachbuchverlag, Leipzig (1993)] and H. Rumpf: [Prinzipien der Prallzerkleinerung und ihre Anwendung bei der Strahlmahlung. Chem. Ing. Tech., 3(1960) 129-135.] fracture toughness, maximum strain or work of fracture for example are strongly dependent on mechanical parameters like hardness (H) and young's modulus of elasticity (E). In addition the dwell time of particles in a spiral jet mill proved to correlate with the hardness of the feed material [F. Rief: Ph. D. Thesis, University of Würzburg (2001)]. Therefore 'near-surface' properties have a direct influence on the effectiveness of the comminution process. The mean particle diameter as well as the size distribution of the ground product may vary significantly with the nanomechanical response of the material. Thus accurate measurement of crystals' hardness and modulus is essential to determine the ideal operational micronisation conditions of the spiral jet mill. The recently developed nanoindentation technique is applied to examine subsurface properties of pharmaceutical bulk materials, namely calcite, sodium ascorbate, lactose and sodium chloride. Pressing a small sized tip into the material while continuously recording load and displacement, characteristic diagrams are derived. The mathematical evaluation of the force-displacement-data allows for calculation of the hardness and the elastic modulus of the investigated material at penetration depths between 50-300 nm. Grinding experiments performed with a modified spiral jet mill (Type Fryma JMRS 80) indicate the strong impact of the elastic-plastic properties of a given substance on its breaking behaviour. The fineness of milled products produced at constant grinding conditions but with different crystalline powders varies significantly as it is dependent on the nanohardness and the elasticity of the feed material. The analysis of this correlation gives new insights into the size reduction process.

High-pressure behaviour of serpentine and elasticity systematics of hydrous and nominally anhydrous phases

NASA Astrophysics Data System (ADS)

Fumagalli, P.; Mookherjee, M.; Stixrude, L. P.

2006-12-01

Serpentine, talc and brucite occur in oceanic crust as alteration products of ultramafic rocks. As mineral phases occurring in the subduction zone setting, both along the slab and within the mantle wedge, they are possible candidates for carrying and tranfer of water to the deep earth. This is manifested by serpentine mud volcanoes, high electrical conductivities, magnetic and seismic anomalies. At high pressure talc transforms to the 10 Å phase. Both the 10 Å phase and serpentine eventually transfer their water content to other dense hydrous magnesium silicates stable at depth greater than 200 km. Most of the mantle's water budget may be contained in nominally anhydrous phases in which hydrogen occurs as non-stoichiometric defects. In order to evaluate the potential for remote detection of mantle water via seismology, we have investigated the elasticity systematics of hydrous phases, supplementing literature data with a new ab initio theoretical study of serpentine. Serpentine shows unusual high-pressure behavior. We predict a symmetry preserving phase transformation involving a proton flip near 25 GPa, and elastic instability at somewhat higher pressures that may be related with experimentally observed amorphization. Results of compression for the low-pressure phase is well represented by a fourth order Birch-Murnaghan finite strain expression with Ko= 81 GPa, Ko'= 9.12 and KoKo"= -142, where K is the bulk modulus, prime indicates pressure derivatives, and O refers to zero pressure. The elastic constant tensor reveals large acoustic anisotropy (41 % in VP) and seismic wave velocities that are significantly higher than those inferred from experiments on serpentinites. We find that serpentine and many other hydrous and nominally anhydrous phases conform closely to generalized Birch's laws in VP, VS, and VB versus density space. Coherent patterns emerge only if hydroxyls are treated as single "atomic" units in the computation of mean atomic weight, suggesting important implications for the understanding of the influence of hydrogen on mineral elasticity.

A review of recent findings about stress-relaxation in the respiratory system tissues.

PubMed

Rubini, Alessandro; Carniel, Emanuele Luigi

2014-12-01

This article reviews the state of the art about an unclear physiological phenomenon interesting respiratory system tissues, i.e., stress-relaxation. Due to their visco-elastic properties, the tissues do not maintain constant stress under constant deformation. Rather, the stress slowly relaxes and falls to a lower value. The exact molecular basis of this complex visco-elastic behavior is not well defined, but it has been suggested that it may be generated because of the anisotropic mechanical properties of elastin and collagen fibers in the alveolar septa and their interaction phenomena, such as reciprocal sliding, also in relation to interstitial liquid movements. The effects on stress-relaxation of various biochemical and physical factors are reviewed, including the consequences of body temperature variations, respiratory system inflammations and hyperbaric oxygen exposure, endocrinal factors, circulating blood volume variations, changes in inflation volume and/or flow, changes in intra-abdominal pressure because of pneumoperitoneum or Trendelenburg position. The effects of these factors on stress-relaxation have practical consequences because, depending on visco-elastic pressure amount which is requested to inflate the respiratory system in different conditions, respiratory muscles have to produce different values of inspiratory pressure during spontaneous breathing. High inspiratory pressure values might increase the risk of respiratory failure development on mechanical basis.

Propagation of Love waves with surface effects in an electrically-shorted piezoelectric nanofilm on a half-space elastic substrate.

PubMed

Zhang, Sijia; Gu, Bin; Zhang, Hongbin; Feng, Xi-Qiao; Pan, Rongying; Alamusi; Hu, Ning

2016-03-01

The propagation of Love waves in the structure consisting of a nanosized piezoelectric film and a semi-infinite elastic substrate is investigated in the present paper with the consideration of surface effects. In our analysis, surface effects are taken into account in terms of the surface elasticity theory and the electrically-shorted conditions are adopted on the free surface of the piezoelectric film and the interface between the film and the substrate. This work focuses on the new features in the dispersion relations of different modes due to surface effects. It is found that with the existence of surface effects, the frequency dispersion of Love waves shows the distinct dependence on the thickness and the surface constants when the film thickness reduces to nanometers. In general, phase velocities of all dispersion modes increase with the decrease of the film thickness and the increase of the surface constants. However, surface effects play different functions in the frequency dispersions of different modes, especially for the first mode dispersion. Moreover, different forms of Love waves are observed in the first mode dispersion, depending on the presence of the surface effects on the surface and the interface. Copyright © 2015 Elsevier B.V. All rights reserved.

Dynamic fields near a crack tip growing in an elastic-perfectly-plastic solid

NASA Technical Reports Server (NTRS)

Nemat-Nasser, S.; Gao, Y. C.

1983-01-01

A full asymptotic solution is presented for the fields in the neighborhood of the tip of a steadily advancing crack in an incompressible elastic-perfectly-plastic solid. There are four findings for mode I crack growth in the plane strain condition. The first is that the entire crack tip in steady crack growth is surrounded by a plastic region and that no elastic unloading is predicted by the complete dynamic asymptotic solution. The second is that, in contrast to the quasi-static solution, the dynamic solution yields strain fields with a logarithmic singularity everywhere near the crack tip. The third is that whereas the stress field varies throughout the entire crack tip neighborhood, it does not exhibit behavior that can be approximated by a constant field followed by an essentially centered-fan field and then by another constant field, especially for small crack growth speeds. The fourth finding is that there are two shock fronts emanating from the crack tip across which certain stress and strain components undergo jump discontinuities. After reviewing the mode III steady-state crack growth, it is concluded that ductile fracture criteria for nonstationary cracks must be based on solutions that include the inertia effects and that for this purpose quasi-static solutions may be inadequate.

Comparative study of elastic constantd of α-, β- and Cubic- silicon nitride

NASA Astrophysics Data System (ADS)

Yao, Hongzhi; Ouyang, Lizhi; Ching, Wai-Yim

2003-03-01

Silicon nitride is an important structural ceramic and dielectric insulator. Recently, the new high pressure cubic phase of silicon nitride in spinel structure has attracted a lot of attention.^[1] We have carried out a detailed ab-initio calculation of all independent elastic constants for all three phases of Si_3N4 by using the Vienna Ab-initio Simulation Package (VASP) in both LDA and GGA approxmations. The results for β-Si_3N4 are in reasonable agreement with a experimental measurement on single crystal samples.^[2] For cubic-Si_3N4 , The three independent elastic constants are predicted to be C_11 = 504.16 GPa, C_12 = 176.66 GPa, C_44 = 326.65 GPa and a bulk modulus B = 286 GPa. This value is very close to the experimental value of 300 GPa.^[1] All these results will be compared with those obtained by using the OLCAO method based on localized orbital approach.^[3] [1]. Wai-Yim Ching, Yong-Nian Xu, Jukian D. Gale, and Manfred Ruhle, J. Am. Ceram. Soc. 81, 3189 (1998) [2]. R. Vogelgesang, M. Grimsditch, and J. S. Wallace, Appl. Phys. Lett. 76, 8 (2000) [3]. W.Y.Ching, Lizhi Ouyang, and Julian D. Gale, Phys. Rev. B61, 13, (2000)

FP-LAPW based investigation of structural, electronic and mechanical properties of CePb{sub 3} intermetallic compound

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pagare, Gitanjali, E-mail: gita-pagare@yahoo.co.in; Jain, Ekta, E-mail: jainekta05@gmail.com; Abraham, Jisha Annie, E-mail: disisjisha@yahoo.com

A theoretical study of structural, electronic, elastic and mechanical properties of CePb{sub 3} intermetallic compound has been investigated systematically using first principles density functional theory. The calculations are carried out within the three different forms of generalized gradient approximation (GGA) and LSDA for the exchange correlation potential. The ground state properties such as lattice parameter (a{sub 0}), bulk modulus (B) and its pressure derivative (B′) are calculated and obtained lattice parameter of this compound shows well agreement with the experimental results. We have calculated three independent second order elastic constants (C{sub 11}, C{sub 12} and C{sub 44}), which has notmore » been calculated and measured yet. From energy dispersion curves, it is found that the studied compound is metallic in nature. Ductility of this compound is analyzed using Pugh’s criteria and Cauchy's pressure (C{sub 11}-C{sub 12}). The mechanical properties such as Young's modulus, shear modulus, anisotropic ratio, Poison's ratio have been calculated for the first time using the Voigt–Reuss–Hill (VRH) averaging scheme. The average sound velocities (v{sub m}), density (ρ) and Debye temperature (θ{sub D}) of this compound are also estimated from the elastic constants.« less

Propagation of a viscous thin film over an elastic membran

NASA Astrophysics Data System (ADS)

Zheng, Zhong; Griffiths, Ian; Stone, Howard

2016-11-01

We study the buoyancy-driven spreading of a thin viscous film over a thin elastic membrane. Neglecting the effects of membrane bending and the membrane weight, we study the case of constant fluid injection and obtain a system of coupled partial differential equations to describe the shape of the air-liquid interface, and the deformation and the radial tension of the stretched membrane. We obtain self-similar solutions to describe the dynamics. In particular, in the early time period, the dynamics is dominated by buoyancy-driven spreading of the liquid film, and membrane stretching is a response to the buoyancy-controlled distribution of liquid weight; the location of the liquid front obeys the power-law form rf (t) t 1 / 2 . However, in the late time period, the system is quasi-steady, the air-liquid interface is flat, and membrane stretching, due to the liquid weight, causes the spreading of the liquid front; the location of the front obeys a different power-law form rf (t) t 1 / 4 before the edge effects of the membrane become significant. In addition, we report laboratory experiments for constant fluid injection using different viscous liquids and thin elastic membranes. Very good agreement is obtained between the theory and experiments.

Role of fluctuations in random compressible systems at marginal dimensionality

NASA Astrophysics Data System (ADS)

Meissner, G.; Sasvári, L.; Tadić, B.

1986-07-01

In a unified treatment we have studied the role of fluctuations in uniaxial random systems at marginal dimensionality d*=4 with the n=1 component order parameter being coupled to elastic degrees of freedom. Depending on the ratio of the nonuniversal parameters of quenched disorder Δ0 and of elastic fluctuations v~0, a first- or second-order phase transition is found to occur, separated by a tricritical point. A complete account of critical properties and of macroscopic as well as of microscopic elastic stability is given for temperatures T>Tc. Universal singularities of thermodynamic functions are determined for t=(T-Tc)/Tc-->0 including the tricritical point: for v~0/Δ0>-2, they are the same as in a rigid random system; for v~0/Δ0=-2, they are different due to lattice compressibility being related, however, to the former by Fisher renormalization. Fluctuation corrections in one-loop approximation have been evaluated in a nonuniversal critical temperature range, tx<

The effective elastic properties of human trabecular bone may be approximated using micro-finite element analyses of embedded volume elements.

PubMed

Daszkiewicz, Karol; Maquer, Ghislain; Zysset, Philippe K

2017-06-01

Boundary conditions (BCs) and sample size affect the measured elastic properties of cancellous bone. Samples too small to be representative appear stiffer under kinematic uniform BCs (KUBCs) than under periodicity-compatible mixed uniform BCs (PMUBCs). To avoid those effects, we propose to determine the effective properties of trabecular bone using an embedded configuration. Cubic samples of various sizes (2.63, 5.29, 7.96, 10.58 and 15.87 mm) were cropped from [Formula: see text] scans of femoral heads and vertebral bodies. They were converted into [Formula: see text] models and their stiffness tensor was established via six uniaxial and shear load cases. PMUBCs- and KUBCs-based tensors were determined for each sample. "In situ" stiffness tensors were also evaluated for the embedded configuration, i.e. when the loads were transmitted to the samples via a layer of trabecular bone. The Zysset-Curnier model accounting for bone volume fraction and fabric anisotropy was fitted to those stiffness tensors, and model parameters [Formula: see text] (Poisson's ratio) [Formula: see text] and [Formula: see text] (elastic and shear moduli) were compared between sizes. BCs and sample size had little impact on [Formula: see text]. However, KUBCs- and PMUBCs-based [Formula: see text] and [Formula: see text], respectively, decreased and increased with growing size, though convergence was not reached even for our largest samples. Both BCs produced upper and lower bounds for the in situ values that were almost constant across samples dimensions, thus appearing as an approximation of the effective properties. PMUBCs seem also appropriate for mimicking the trabecular core, but they still underestimate its elastic properties (especially in shear) even for nearly orthotropic samples.

Effect of elasticity on stress distribution in CAD/CAM dental crowns: Glass ceramic vs. polymer-matrix composite.

PubMed

Duan, Yuanyuan; Griggs, Jason A

2015-06-01

Further investigations are required to evaluate the mechanical behaviour of newly developed polymer-matrix composite (PMC) blocks for computer-aided design/computer-aided manufacturing (CAD/CAM) applications. The purpose of this study was to investigate the effect of elasticity on the stress distribution in dental crowns made of glass-ceramic and PMC materials using finite element (FE) analysis. Elastic constants of two materials were determined by ultrasonic pulse velocity using an acoustic thickness gauge. Three-dimensional solid models of a full-coverage dental crown on a first mandibular molar were generated based on X-ray micro-CT scanning images. A variety of load case-material property combinations were simulated and conducted using FE analysis. The first principal stress distribution in the crown and luting agent was plotted and analyzed. The glass-ceramic crown had stress concentrations on the occlusal surface surrounding the area of loading and the cemented surface underneath the area of loading, while the PMC crown had only stress concentration on the occlusal surface. The PMC crown had lower maximum stress than the glass-ceramic crown in all load cases, but this difference was not substantial when the loading had a lateral component. Eccentric loading did not substantially increase the maximum stress in the prosthesis. Both materials are resistant to fracture with physiological occlusal load. The PMC crown had lower maximum stress than the glass-ceramic crown, but the effect of a lateral loading component was more pronounced for a PMC crown than for a glass-ceramic crown. Knowledge of the stress distribution in dental crowns with low modulus of elasticity will aid clinicians in planning treatments that include such restorations. Copyright © 2015 Elsevier Ltd. All rights reserved.

First-principles investigation of structural, elastic, lattice dynamical and thermodynamic properties of lithium sulfur under pressure

NASA Astrophysics Data System (ADS)

Saib, S.; Bouarissa, N.

2017-10-01

In this study we report on the influence of hydrostatic pressure on structural, elastic, lattice dynamical and thermal properties of Li2S in the anti-fluorite structure using ab initio pseudopotential approach based on the density functional perturbation theory. Our results are found to be in good agreement with those existing in the literature. The present phonon dispersion spectra, dielectric constants and Born effective charges may be seen as the first investigation for the material under load. The pressure dependence of all features of interest has been examined and discussed. Besides, the temperature dependence of the lattice parameter and bulk modulus is predicted. The generalized elastic stability criteria showed that the material of interest is mechanically unstable for pressures beyond 55 GPa.

Ab Initio Study of Electronic Structure, Elastic and Transport Properties of Fluoroperovskite LiBeF3

NASA Astrophysics Data System (ADS)

Benmhidi, H.; Rached, H.; Rached, D.; Benkabou, M.

2017-04-01

The aim of this work is to investigate the electronic, mechanical, and transport properties of the fluoroperovskite compound LiBeF3 by first-principles calculations using the full-potential linear muffin-tin orbital method based on density functional theory within the local density approximation. The independent elastic constants and related mechanical properties including the bulk modulus ( B), shear modulus ( G), Young's modulus ( E), and Poisson's ratio ( ν) have been studied, yielding the elastic moduli, shear wave velocities, and Debye temperature. According to the electronic properties, this compound is an indirect-bandgap material, in good agreement with available theoretical data. The electron effective mass, hole effective mass, and energy bandgaps with their volume and pressure dependence are investigated for the first time.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Freels, M.; Liaw, P. K.; Garlea, E.

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 strainmore » 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 sample of known geometry, dimensions, and mass. In addition, RUS allows determination of internal friction, or damping, at different frequencies and temperatures. Polycrystalline pure magnesium (Mg) exhibits excellent high damping properties. However, the poor mechanical properties limit the applications of pure Mg. Although alloying can improve the mechanical properties of Mg, the damping properties are reduced with additions of alloying elements. Therefore, it becomes necessary to study and develop Mg-alloys with simultaneous high damping capacity and improved mechanical properties. Moreover, studies involving the high temperature dynamic elastic properties of Mg alloys are limited. In this study, the elastic properties and internal friction of two magnesium alloys were studied at elevated temperatures using RUS. The effect of alloy composition and grain size was investigated. The wrought magnesium alloys AZ31 and ZK60 were employed. Table 1 gives the nominal chemical compositions of these two alloys. The ZK60 alloy is a commercial extruded plate with a T5 temper, i.e. solution-treated at 535 C for two hours, quenched in hot water, and aged at 185 C for 24 hours. The AZ31 alloy is a commercial rolled plate with a H24 temper, i.e. strain hardened and partially annealed.« less

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

NASA Astrophysics Data System (ADS)

Lunt, A. J. G.; Xie, M. Y.; Baimpas, N.; Zhang, S. Y.; Kabra, S.; Kelleher, J.; Neo, T. K.; Korsunsky, A. M.

2014-08-01

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

Demand for pneumococcal vaccination under subsidy program for the elderly in Japan

PubMed Central

2012-01-01

Background Vaccination programs often organize subsidies and public relations in order to obtain high uptake rates and coverage. However, effects of subsidies and public relations have not been studied well in the literature. In this study, the demand function of pneumococcal vaccination among the elderly in Japan is estimated, incorporating effects of public relations and subsidy. Methods Using a data from a questionnaire survey sent to municipalities, the varying and constant elasticity models were applied to estimate the demand function. The response variable is the uptake rate. Explanatory variables are: subsidy supported shot price, operating years of the program, target population size for vaccination, shot location intensity, income and various public relations tools. The best model is selected by c-AIC, and varying and constant price elasticities are calculated from estimation results. Results The vaccine uptake rate and the shot price have a negative relation. From the results of varying price elasticity, the demand for vaccination is elastic at municipalities with a shot price higher than 3,708 JPY (35.7 USD). Effects of public relations on the uptake rate are not found. Conclusions It can be suggested that municipalities with a shot price higher than 3,708 JPY (35.7 USD) could subsidize more and reduce price to increase the demand for vaccination. Effects of public relations are not confirmed in this study, probably due to measurement errors of variables used for public relations, and studies at micro level exploring individual’s response to public relations would be required. PMID:22970727

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mandal, A.; Gupta, Y. M.

To understand the elastic-plastic deformation response of shock-compressed molybdenum (Mo) – a body-centered cubic (BCC) metal, single crystal samples were shocked along the [100] crystallographic orientation to an elastic impact stress of 12.5 GPa. Elastic-plastic wave profiles, measured at different propagation distances ranging between ~0.23 to 2.31 mm using laser interferometry, showed a time-dependent material response. Within experimental scatter, the measured elastic wave amplitudes were nearly constant over the propagation distances examined. These data point to a large and rapid elastic wave attenuation near the impact surface, before reaching a threshold value (elastic limit) of ~3.6 GPa. Numerical simulations ofmore » the measured wave profiles, performed using a dislocation-based continuum model, suggested that {110}<111> and/or {112}<111> slip systems are operative under shock loading. In contrast to shocked metal single crystals with close-packed structures, the measured wave profiles in Mo single crystals could not be explained in terms of dislocation multiplication alone. A dislocation generation mechanism, operative for shear stresses larger than that at the elastic limit, was required to model the rapid elastic wave attenuation and to provide a good overall match to the measured wave profiles. However, the physical basis for this mechanism was not established for the high-purity single crystal samples used in this study. As a result, the numerical simulations also suggested that Mo single crystals do not work harden significantly under shock loading in contrast to the behavior observed under quasi-static loading.« less

Elastic-plastic deformation of molybdenum single crystals shocked along [100

DOE PAGES

Mandal, A.; Gupta, Y. M.

2017-01-24

To understand the elastic-plastic deformation response of shock-compressed molybdenum (Mo) – a body-centered cubic (BCC) metal, single crystal samples were shocked along the [100] crystallographic orientation to an elastic impact stress of 12.5 GPa. Elastic-plastic wave profiles, measured at different propagation distances ranging between ~0.23 to 2.31 mm using laser interferometry, showed a time-dependent material response. Within experimental scatter, the measured elastic wave amplitudes were nearly constant over the propagation distances examined. These data point to a large and rapid elastic wave attenuation near the impact surface, before reaching a threshold value (elastic limit) of ~3.6 GPa. Numerical simulations ofmore » the measured wave profiles, performed using a dislocation-based continuum model, suggested that {110}<111> and/or {112}<111> slip systems are operative under shock loading. In contrast to shocked metal single crystals with close-packed structures, the measured wave profiles in Mo single crystals could not be explained in terms of dislocation multiplication alone. A dislocation generation mechanism, operative for shear stresses larger than that at the elastic limit, was required to model the rapid elastic wave attenuation and to provide a good overall match to the measured wave profiles. However, the physical basis for this mechanism was not established for the high-purity single crystal samples used in this study. As a result, the numerical simulations also suggested that Mo single crystals do not work harden significantly under shock loading in contrast to the behavior observed under quasi-static loading.« less

Fe-Mg substitution in aluminate spinels: effects on elastic properties investigated by Brillouin scattering

NASA Astrophysics Data System (ADS)

Bruschini, Enrico; Speziale, Sergio; Bosi, Ferdinando; Andreozzi, Giovanni B.

2018-03-01

We investigated by a multi-analytical approach (Brillouin scattering, X-ray diffraction and electron microprobe) the dependence of the elastic properties on the chemical composition of six spinels in the series (Mg1-x ,Fe x )Al2O4 (0 ≤ x ≤ 0.5). With the exception of C 12, all the elastic moduli (C 11, C 44, K S0 and G) are insensitive to chemical composition for low iron concentration, while they decrease linearly for higher Fe2+ content. Only C 12 shows a continuous linear increase with increasing Fe2+ across the whole compositional range under investigation. The high cation disorder showed by the sample with x = 0.202 has little or no influence on the elastic parameters. The range 0.202 < x < 0.388 bounds the percolation threshold (p c) for nearest neighbor interaction of Fe in the cation sublattices of the spinel structure. Below x = 0.202, the iron atoms are diluted in the system and far from each other, and the elastic moduli are nearly constant. Above x = 0.388, Fe atoms form extended interconnected clusters and show a cooperative behavior thus affecting the single-crystal elastic moduli. The elastic anisotropy largely increases with the introduction of Fe2+ in substitution of magnesium in spinel. This behavior is different with respect to other spinels containing transition metals such as Mn2+ and Co2+.

Resonant Column Tests and Nonlinear Elasticity in Simulated Rocks

NASA Astrophysics Data System (ADS)

Sebastian, Resmi; Sitharam, T. G.

2018-01-01

Rocks are generally regarded as linearly elastic even though the manifestations of nonlinearity are prominent. The variations of elastic constants with varying strain levels and stress conditions, disagreement between static and dynamic moduli, etc., are some of the examples of nonlinear elasticity in rocks. The grain-to-grain contact, presence of pores and joints along with other compliant features induce the nonlinear behavior in rocks. The nonlinear elastic behavior of rocks is demonstrated through resonant column tests and numerical simulations in this paper. Resonant column tests on intact and jointed gypsum samples across varying strain levels have been performed in laboratory and using numerical simulations. The paper shows the application of resonant column apparatus to obtain the wave velocities of stiff samples at various strain levels under long wavelength condition, after performing checks and incorporating corrections to the obtained resonant frequencies. The numerical simulation and validation of the resonant column tests using distinct element method are presented. The stiffness reductions of testing samples under torsional and flexural vibrations with increasing strain levels have been analyzed. The nonlinear elastic behavior of rocks is reflected in the results, which is enhanced by the presence of joints. The significance of joint orientation and influence of joint spacing during wave propagation have also been assessed and presented using the numerical simulations. It has been found that rock joints also exhibit nonlinear behavior within the elastic limit.

AnisoVis: a MATLAB™ toolbox for the visualisation of elastic anisotropy

NASA Astrophysics Data System (ADS)

Healy, D.; Timms, N.; Pearce, M. A.

2016-12-01

The elastic properties of rocks and minerals vary with direction, and this has significant consequences for their physical response to acoustic waves and natural or imposed stresses. This anisotropy of elasticity is well described mathematically by 4th rank tensors of stiffness or compliance. These tensors are not easy to visualise in a single diagram or graphic, and visualising Poisson's ratio and shear modulus presents a further challenge in that their anisotropy depends on two principal directions. Students and researchers can easily underestimate the importance of elastic anisotropy. This presentation describes an open source toolbox of MATLAB scripts that aims to visualise elastic anisotropy in rocks and minerals. The code produces linked 2-D and 3-D representations of the standard elastic constants, such as Young's modulus, Poisson's ratio and shear modulus, all from a simple GUI. The 3-D plots can be manipulated by the user (rotated, panned, zoomed), to encourage investigation and a deeper understanding of directional variations in the fundamental properties. Examples are presented of common rock forming minerals, including those with negative Poisson's ratio (auxetic behaviour). We hope that an open source code base will encourage further enhancements from the rock physics and wider geoscience communities. Eventually, we hope to generate 3-D prints of these complex and beautiful natural surfaces to provide a tactile link to the underlying physics of elastic anisotropy.

Q-Flex Accelerometer Thermal Performance Study

DTIC Science & Technology

1976-09-01

change which has a significantly long time constant. This newly acquired knowledge strongly suggests elastic meterial property changes, probably due to...hinge axis reference to proof mass center of gravity and rim lands plane). In similar fashion, the Invar excitation rings serve as pickoff

Spatially resolved quantitative mapping of thermomechanical properties and phase transition temperatures using scanning probe microscopy

DOEpatents

Jesse, Stephen; Kalinin, Sergei V; Nikiforov, Maxim P

2013-07-09

An approach for the thermomechanical characterization of phase transitions in polymeric materials (polyethyleneterephthalate) by band excitation acoustic force microscopy is developed. This methodology allows the independent measurement of resonance frequency, Q factor, and oscillation amplitude of a tip-surface contact area as a function of tip temperature, from which the thermal evolution of tip-surface spring constant and mechanical dissipation can be extracted. A heating protocol maintained a constant tip-surface contact area and constant contact force, thereby allowing for reproducible measurements and quantitative extraction of material properties including temperature dependence of indentation-based elastic and loss moduli.

Association Between Scalp Laxity, Elasticity, and Glidability and Donor Strip Scar Width in Hair Transplantation and a New Elasticity Measuring Method.

PubMed

Park, Jae Hyun

2017-04-01

Hair transplantation requires precise evaluation of donor site laxity, elasticity, and glidability. The purpose of this study was to examine the relationship between donor strip scar width and preoperative laxity, elasticity, and glidability. Preoperative measurements of scalp laxity, elasticity, and glidability and of donor site scar width 10 months postoperatively were evaluated in 88 patients who underwent hair transplantation with strip harvesting. Elasticity was measured by firmly pressing the scalp with the fingertips of one hand at 2 points to restrict dermis movement while stretching the skin with the other hand. Glidability was calculated as laxity minus elasticity. Scar width positively correlated with laxity (p < .01) and elasticity (p < .05) but had no relationship with glidability. There was a significant difference between patients in the upper 30th percentile of elasticity (≥10 mm) versus others (<10 mm) in scar width. Scalp laxity, elasticity, and glidability are of great clinical importance in hair transplantation. The authors' novel method of measuring elasticity will assist surgeons in predicting donor site scar width.

Elastic, dynamical, and electronic properties of LiHg and Li3Hg: First-principles study

NASA Astrophysics Data System (ADS)

Wang, Yan; Hao, Chun-Mei; Huang, Hong-Mei; Li, Yan-Ling

2018-04-01

The elastic, dynamical, and electronic properties of cubic LiHg and Li3Hg were investigated based on first-principles methods. The elastic constants and phonon spectral calculations confirmed the mechanical and dynamical stability of the materials at ambient conditions. The obtained elastic moduli of LiHg are slightly larger than those of Li3Hg. Both LiHg and Li3Hg are ductile materials with strong shear anisotropy as metals with mixed ionic, covalent, and metallic interactions. The calculated Debye temperatures are 223.5 K and 230.6 K for LiHg and Li3Hg, respectively. The calculated phonon frequency of the T2 g mode in Li3Hg is 326.8 cm-1. The p states from the Hg and Li atoms dominate the electronic structure near the Fermi level. These findings may inspire further experimental and theoretical study on the potential technical and engineering applications of similar alkali metal-based intermetallic compounds.

Analytical close-form solutions to the elastic fields of solids with dislocations and surface stress

NASA Astrophysics Data System (ADS)

Ye, Wei; Paliwal, Bhasker; Ougazzaden, Abdallah; Cherkaoui, Mohammed

2013-07-01

The concept of eigenstrain is adopted to derive a general analytical framework to solve the elastic field for 3D anisotropic solids with general defects by considering the surface stress. The formulation shows the elastic constants and geometrical features of the surface play an important role in determining the elastic fields of the solid. As an application, the analytical close-form solutions to the stress fields of an infinite isotropic circular nanowire are obtained. The stress fields are compared with the classical solutions and those of complex variable method. The stress fields from this work demonstrate the impact from the surface stress when the size of the nanowire shrinks but becomes negligible in macroscopic scale. Compared with the power series solutions of complex variable method, the analytical solutions in this work provide a better platform and they are more flexible in various applications. More importantly, the proposed analytical framework profoundly improves the studies of general 3D anisotropic materials with surface effects.

Prediction of Mechanical Properties of Polymers With Various Force Fields

NASA Technical Reports Server (NTRS)

Odegard, Gregory M.; Clancy, Thomas C.; Gates, Thomas S.

2005-01-01

The effect of force field type on the predicted elastic properties of a polyimide is examined using a multiscale modeling technique. Molecular Dynamics simulations are used to predict the atomic structure and elastic properties of the polymer by subjecting a representative volume element of the material to bulk and shear finite deformations. The elastic properties of the polyimide are determined using three force fields: AMBER, OPLS-AA, and MM3. The predicted values of Young s modulus and shear modulus of the polyimide are compared with experimental values. The results indicate that the mechanical properties of the polyimide predicted with the OPLS-AA force field most closely matched those from experiment. The results also indicate that while the complexity of the force field does not have a significant effect on the accuracy of predicted properties, small differences in the force constants and the functional form of individual terms in the force fields determine the accuracy of the force field in predicting the elastic properties of the polyimide.

Locally resonant sonic materials

PubMed

Liu; Zhang; Mao; Zhu; Yang; Chan; Sheng

2000-09-08

We have fabricated sonic crystals, based on the idea of localized resonant structures, that exhibit spectral gaps with a lattice constant two orders of magnitude smaller than the relevant wavelength. Disordered composites made from such localized resonant structures behave as a material with effective negative elastic constants and a total wave reflector within certain tunable sonic frequency ranges. A 2-centimeter slab of this composite material is shown to break the conventional mass-density law of sound transmission by one or more orders of magnitude at 400 hertz.

Mechanical Properties of a High Lead Glass Used in the Mars Organic Molecule Analyzer

NASA Technical Reports Server (NTRS)

Salem, Jonathan A.; Smith, Nathan A.; Ersahin, Akif

2015-01-01

The elastic constants, strength, fracture toughness, slow crack growth parameters, and mirror constant of a high lead glass supplied as tubes and funnels were measured using ASTM International (formerly ASTM, American Society for Testing and Materials) methods and modifications thereof. The material exhibits lower Young's modulus and slow crack growth exponent as compared to soda-lime silica glass. Highly modified glasses exhibit lower fracture toughness and slow crack growth exponent than high purity glasses such as fused silica.

The elastic constants of San Carlos olivine to 17 GPa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abramson, E.H.; Brown, J.M.; Slutsky, L.J.

1997-06-01

All elastic constants, the average bulk and shear moduli, and the lattice parameters of San Carlos olivine (Fo{sub 90}) (initial density 3.355gm/cm{sup 3}) have been determined to a pressure of 12 GPa at room temperature. Measurements of c{sub 11}, c{sub 33}, c{sub 13}, and c{sub 55} have been extended to 17 GPa. The pressure dependence of the adiabatic, isotropic (Hashin-Shtrikman bounds) bulk modulus, and shear modulus may be expressed as K{sub HS}=129.4+4.29P and by G{sub HS}=78+1.71P{minus}0.027P{sup 2}, where both the pressure and the moduli are in gigapascals. The isothermal compression of olivine is described by a bulk modulus given asmore » K{sub T}=126.3+4.28P. Elastic constants other than c{sub 55} can be adequately represented by a linear relationship in pressure. In the order (c{sub 11},c{sub 12},c{sub 13},c{sub 22},c{sub 23},c{sub 33},c{sub 44},c{sub 55},c{sub 66}) the 1 bar intercepts (gigapascal units) are (320.5, 68.1, 71.6, 196.5, 76.8, 233.5, 64.0, 77.0, 78.7). The first derivatives are (6.54, 3.86, 3.57, 5.38, 3.37, 5.51, 1.67, 1.81, 1.93). The second derivative for c{sub 55} is {minus}0.070GPa{sup {minus}1}. Incompressibilities for the three axes may also be expressed as linear relationships with pressure. In the order of {bold a, b}, and {bold c} axes the intercepts in gigapascals are (547.8, 285.8, 381.8) and the first derivatives are (20.1, 12.3, 14.0).{copyright} 1997 American Geophysical Union« less

Dielectric Anistropy, Elastic Constants, and Threshold Voltage Measurements of Gold-nanoparticle Colloids in Nematic 5CB

NASA Astrophysics Data System (ADS)

Visco, Angelo; Foust, Jon; Belobradich, Joseph; Mahmood, Rizwan; Zapien, Donald

We have explored electro-optical and thermal properties of gold nanoparticles (GNPs) colloids in 4-cyano- 4'-pentylbiphenyl (5CB) liquid crystals (LCs). GNP's do not readily disperse in a LC host and, so, have been treated with either, 1-Hexane-thiol, 1-Dodecane-thiol, or 1-Octadecyl-thiol. This treatment suppresses the aggregation of GNPs within the 5CB host to a threshold of approximately 0.7% GNP by weight. Our measurements on dodecanethiol and hexanethiol treated GNPs showed an unusual, steep trough in the dielectric anisotropy and elastic constants at a critical concentration of 0.0862 wt. % GNPs in 5CB. Due to the order parameter, we have observed a peak in the transition temperature at the same critical concentration. Above the critical concentration the transition temperatures, dielectric anisotropy, and elastic constants level off to within experimental uncertainty. Measurements of dodecanethiol treated GNPs in 5CB reveal distinctions in the rate of change in dielectric anisotropy as compared to hexanethiol treated GNPs in 5CB. This effect is possibly due to the increased carbon concentration in dodeccanethiol compared to hexanethiol. Attempts to mix the Smectic A (SmA), 8CB liquid crystal using our hexanethiol and dodecanethiol GNPs were unsuccessful for particle sizes of 100nm and 28nm. We suspect that this is due to an insufficient length of the carbon-chain and U.V. spectroscopy measurements may prove useful in characterizing the resulting aggregation. We hope the system will be helpful in modifying the properties of mesophases that may ultimately results in developing new electro-optical devices. Acknowledgements: The funding for the project was provided by Slippery Rock University (2015-2016).

The first principle study of Ni{sub 2}ScGa and Ni{sub 2}TiGa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Özduran, Mustafa; Turgut, Kemal; Arikan, Nihat

2014-10-06

We computed the electronic structure, elastic moduli, vibrational properties, and Ni{sub 2}TiGa and Ni{sub 2}ScGa alloys in the cubic L2{sub 1} structure. The obtained equilibrium lattice constants of these alloys are in good agreement with available data. In cubic systems, there are three independent elastic constants, namely C{sub 11}, C{sub 12} and C{sub 44}. We calculated elastic constants in L2{sub 1} structure for Ni{sub 2}TiGa and Ni{sub 2}ScGa using the energy-strain method. The electronic band structure, total and partial density of states for these alloys were investigated within density functional theory using the plane-wave pseudopotential method implemented in Quantum-Espresso programmore » package. From band structure, total and projected density of states, we observed metallic characters of these compounds. The electronic calculation indicate that the predominant contributions of the density of states at Fermi level come from the Ni 3d states and Sc 3d states for Ni{sub 2}TiGa, Ni 3d states and Sc 3d states for Ni{sub 2}ScGa. The computed density of states at Fermi energy are 2.22 states/eV Cell for Ni{sub 2}TiGa, 0.76 states/eV Cell for Ni{sub 2}ScGa. The vibrational properties were obtained using a linear response in the framework at the density functional perturbation theory. For the alloys, the results show that the L2{sub 1} phase is unstable since the phonon calculations have imagine modes.« less

Lattice Dynamical, Elastic and Thermodynamical Properties of III-V Semiconductor AlSb, GaSb and Their Mixed Semiconductor Ga_{1-x}AlxSb

NASA Astrophysics Data System (ADS)

Kushwaha, A. K.

2017-07-01

A proposed eleven-parameter three-body shell model is used to study the lattice dynamical properties such as phonon dispersion relations along high symmetry directions, phonon density of states, variation of specific heat and Debye characteristic temperature with absolute temperature, elastic constants and related properties for III-V semiconductor AlSb, GaSb and their mixed semiconductor Ga_{1-x}AlxSb having zinc-blende structure. We found an overall good agreement with the available experimental and theoretical results available in the literature.

Ab-initio study of B{sub 2}-type technetium AB (A=Tc, B=Nb and Ta) intermetallic compounds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Acharya, Nikita, E-mail: acharyaniks30@gmail.com; Fatima, Bushra; Sanyal, Sankar P.

2016-05-06

The structural, electronic and elastic properties of AB type (A = Tc, B = Nb and Ta) technetium intermetallic compounds are studied using full potential linearized plane wave (FP-LAPW) method within generalized gradient approximation (GGA). The calculated lattice parameters agree well with the experimental results. The elastic constants obey the stability criteria for cubic system. Ductility for these compounds has been analyzed using the Pugh’s rule and Cauchy’s pressure and found that all the compounds are ductile in nature. Bonding nature is discussed in terms of Fermi surface and band structures.

On the brittle nature of rare earth pnictides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shriya, S.; Sapkale, R.; Varshney, Dinesh, E-mail: vdinesh33@rediffmail.com, E-mail: sapkale.raju@rediffmail.com

The high-pressure structural phase transition and pressure as well temperature induced elastic properties in ReY; (Re = La, Sc, Pr; Y = N, P, As, Sb, Bi) pnictides have been performed using effective interionic interaction potential with emphasis on charge transfer interactions and covalent contribution. Estimated values of phase transition pressure and the volume discontinuity in pressure-volume phase diagram indicate the structural phase transition from NaCl to CsCl structure. From the investigations of elastic constants the pressure (temperature) dependent volume collapse/expansion, second order Cauchy discrepancy, anisotropy, hardness and brittle/ductile nature of rare earth pnictides are computed.

On the eigenfrequencies of elastic shear waves propagating in an inhomogeneous layer

NASA Astrophysics Data System (ADS)

Khachatryan, V. M.

2018-04-01

In this work, we consider the problem of eigenfrequencies of elastic shear waves propagating in a layer whose Young’s modulus and density are functions of the longitudinal coordinate. Taking into account the material inhomogeneity makes the problem of the eigenfrequencies of the waves propagating in the layer more complicated. In this paper, the problem of pure shear is considered. To solve the problem, we use an integral formula which allows us to represent the general solution of the original equation with variable coefficients in terms of the general solution of the accompanying equation with constant coefficients.

Brillouin-scattering measurements of surface-acoustic-wave velocities in silicon at high temperatures

NASA Astrophysics Data System (ADS)

Stoddart, P. R.; Comins, J. D.; Every, A. G.

1995-06-01

Brillouin-scattering measurements of the angular dependence of surface-acoustic-wave velociites at high temperatures are reported. The measurements have been performed on the (001) surface of a silicon single crystal at temperatures up to 800 °C, allowing comparison of the results with calculated velocities based on existing data for the elastic constants and thermal expansion of silicon in this temperature range. The change in surface-acoustic-wave velocity with temperature is reproduced well, demonstrating the value of this technique for the characterization of the high-temperature elastic properties of opaque materials.

Measurement of Shear Elastic Moduli in Quasi-Incompressible Soft Solids

NASA Astrophysics Data System (ADS)

Rénier, Mathieu; Gennisson, Jean-Luc; Barrière, Christophe; Catheline, Stefan; Tanter, Mickaël; Royer, Daniel; Fink, Mathias

2008-06-01

Recently a nonlinear equation describing the plane shear wave propagation in isotropic quasi-incompressible media has been developed using a new expression of the strain energy density, as a function of the second, third and fourth order shear elastic constants (respectively μ, A, D) [1]. In such a case, the shear nonlinearity parameter βs depends only from these last coefficients. To date, no measurement of the parameter D have been carried out in soft solids. Using a set of two experiments, acoustoelasticity and finite amplitude shear waves, the shear elastic moduli up to the fourth order of soft solids are measured. Firstly, this theoretical background is applied to the acoustoelasticity theory, giving the variations of the shear wave speed as a function of the stress applied to the medium. From such variations, both linear (μ) and third order shear modulus (A) are deduced in agar-gelatin phantoms. Experimentally the radiation force induced by a focused ultrasound beam is used to generate quasi-plane linear shear waves within the medium. Then the shear wave propagation is imaged with an ultrafast ultrasound scanner. Secondly, in order to give rise to finite amplitude plane shear waves, the radiation force generation technique is replaced by a vibrating plate applied at the surface of the phantoms. The propagation is also imaged using the same ultrafast scanner. From the assessment of the third harmonic amplitude, the nonlinearity parameter βS is deduced. Finally, combining these results with the acoustoelasticity experiment, the fourth order modulus (D) is deduced. This set of experiments provides the characterization, up to the fourth order, of the nonlinear shear elastic moduli in quasi-incompressible soft media. Measurements of the A moduli reveal that while the behaviors of both soft solids are close from a linear point of view, the corresponding nonlinear moduli A are quite different. In a 5% agar-gelatin phantom, the fourth order elastic constant D is found to be 30±10 kPa.

Preliminary evaluation of hybrid titanium composite laminates

NASA Technical Reports Server (NTRS)

Miller, J. L.; Progar, D. J.; Johnson, W. S.; St.clair, T. L.

1994-01-01

In this study, the mechanical response of hybrid titanium composite laminates (HTCL) was evaluated at room and elevated temperatures. Also, the use of an elastic-plastic laminate analysis program for predicting the tensile response from constituent properties was verified. The improvement in mechanical properties achieved by the laminates was assessed by comparing the results of static strength and constant amplitude fatigue tests to those for monolithic titanium sheet. Two HTCL were fabricated with different fiber volume fractions, resin layer thicknesses, and resins. One panel was thicker and was more poorly bonded in comparison to other. Consequently, the former had a lower tensile strength, while fewer cracks grew in this panel and at a slower rate. Both panels showed an improvement in fatigue life of almost two orders of magnitude. The model predictions were also in good agreement with the experimental results for both HTCL panels.

Analysis and performance assessment of a fragment retransmission scheme for energy efficient IEEE 802.11 WLANs.

PubMed

Mafole, Prosper; Aritsugi, Masayoshi

2016-01-01

Backoff-free fragment retransmission (BFFR) scheme enhances the performance of legacy MAC layer fragmentation by eliminating contention overhead. The eliminated overhead is the result of backoff executed before a retransmission attempt is made when fragment transmission failure occurs within a fragment burst. This paper provides a mathematical analysis of BFFR energy efficiency and further assesses, by means of simulations, the energy efficiency, throughput and delay obtained when BFFR is used. The validity of the new scheme is evaluated in different scenarios namely, constant bit rate traffic, realistic bursty internet traffic, node mobility, rigid and elastic flows and their combinations at different traffic loads. We also evaluate and discuss the impact of BFFR on MAC fairness when the number of nodes is varied from 4 to 10. It is shown that BFFR has advantages over legacy MAC fragmentation scheme in all the scenarios.

Comparative study of sea ice dynamics simulations with a Maxwell elasto-brittle rheology and the elastic-viscous-plastic rheology in NEMO-LIM3

NASA Astrophysics Data System (ADS)

Raulier, Jonathan; Dansereau, Véronique; Fichefet, Thierry; Legat, Vincent; Weiss, Jérôme

2017-04-01

Sea ice is a highly dynamical environment characterized by a dense mesh of fractures or leads, constantly opening and closing over short time scales. This characteristic geomorphology is linked to the existence of linear kinematic features, which consist of quasi-linear patterns emerging from the observed strain rate field of sea ice. Standard rheologies used in most state-of-the-art sea ice models, like the well-known elastic-viscous-plastic rheology, are thought to misrepresent those linear kinematic features and the observed statistical distribution of deformation rates. Dedicated rheologies built to catch the processes known to be at the origin of the formation of leads are developed but still need evaluations on the global scale. One of them, based on a Maxwell elasto-brittle formulation, is being integrated in the NEMO-LIM3 global ocean-sea ice model (www.nemo-ocean.eu; www.elic.ucl.ac.be/lim). In the present study, we compare the results of the sea ice model LIM3 obtained with two different rheologies: the elastic-viscous-plastic rheology commonly used in LIM3 and a Maxwell elasto-brittle rheology. This comparison is focused on the statistical characteristics of the simulated deformation rate and on the ability of the model to reproduce the existence of leads within the ice pack. The impact of the lead representation on fluxes between ice, atmosphere and ocean is also assessed.

Strain partitioning in shales during elastic and creep deformation observed by synchrotron X-ray micro-tomography.

NASA Astrophysics Data System (ADS)

Sone, H.; Cheung, C.; Rivers, M. L.; Wang, Y.; Yu, T.

2016-12-01

Knowledge about the ductile time-dependent constitutive behavior of geological materials is essential when evaluating the long-term integrity of subsurface structures and predicting the long-term geomechanical response of the surrounding formations. To this end, it is not only important to measure the bulk time-dependent behavior but also essential to understand the microscale mechanism by which rocks exhibit time-dependence, because laboratory data needs to be extrapolated to time-scales much beyond laboratory experiments. We conducted long-term creep experiments using Green River shale samples and obtained synchrotron X-ray images during the tests in an attempt to capture the microscale strain-partitioning that occurs within the sample. Shale samples of few millimeter dimensions were stressed up to several tens of MPa by a spring-loaded device within an X-ray transparent load frame, and the load was held constant for up to several months to allow creep deformation. Tomographic images of about 5 micron resolution were reconstructed from images collected at different timings of the experiment, which allows us to investigate where and how much strain localized during elastic and creep deformation. Tracking the position of some outstanding features in the rock texture (e.g. pyrite grains, organic material patches) indicate that strain magnitudes expected from the sample elastic and relaxation modulus can be successfully recovered from the tomographic images. We also attempt to use digital volume correlation to track sub-voxel displacements and to characterize the spatial heterogeneity of the deformation.

Experimental access to elastic and thermodynamic properties of RbMnFe(CN)6

NASA Astrophysics Data System (ADS)

Boukheddaden, K.; Loutete-Dangui, E. D.; Codjovi, E.; Castro, M.; Rodriguéz-Velamazán, J. A.; Ohkoshi, S.; Tokoro, H.; Koubaa, M.; Abid, Y.; Varret, F.

2011-01-01

We use spectroscopic ellipsometry to study the elastic and thermodynamic properties of the structural first-order transition of the cooperative Jahn-Teller solid, RbMn[Fe(CN)6]. While the analysis of the thermal dependence of the dielectric constant revealed a remarkable energy shift in the metal-to-ligand charge transfer band, that of the refractive index allowed to evaluate the volumetric thermal expansion coefficient in the two phases through the Gladstone-Dale relation. The access to the elastic properties of the solid is obtained with the reflectivity under pressure measurements, from which we estimated the bulk modulus values in the low- and high-temperature phases as BLT=30(±3) GPa and BHT=23(±2) GPa, respectively. Assuming the system is isotropic, the corresponding Debye temperature values have been found to be θDLT(SE)≃360(±25) K and θDHT(SE)≃290(±20) K, in good agreement with those derived from independent Mössbauer spectrometry investigations which led to θDLT(Moss)≃332(±7) K and θDHT(Moss)≃280(±11) K. Moreover, we have been able to extract from the SE data, the entropy change at the transition, ΔS ≈64 J K-1 mol-1, which has been also found in good agreement with the value, ΔS ≈60±5 J K-1 mol-1, derived from calorimetric experiments performed in this work.

Simplified Calculation Model and Experimental Study of Latticed Concrete-Gypsum Composite Panels

PubMed Central

Jiang, Nan; Ma, Shaochun

2015-01-01

In order to address the performance complexity of the various constituent materials of (dense-column) latticed concrete-gypsum composite panels and the difficulty in the determination of the various elastic constants, this paper presented a detailed structural analysis of the (dense-column) latticed concrete-gypsum composite panel and proposed a feasible technical solution to simplified calculation. In conformity with mechanical rules, a typical panel element was selected and divided into two homogenous composite sub-elements and a secondary homogenous element, respectively for solution, thus establishing an equivalence of the composite panel to a simple homogenous panel and obtaining the effective formulas for calculating the various elastic constants. Finally, the calculation results and the experimental results were compared, which revealed that the calculation method was correct and reliable and could meet the calculation needs of practical engineering and provide a theoretical basis for simplified calculation for studies on composite panel elements and structures as well as a reference for calculations of other panels. PMID:28793631

Dielectric Anistropy and Elastic Constants Near the Nematic-Smectic A Transition

NASA Astrophysics Data System (ADS)

Visco, Angelo; Mahmood, Rizwan; Zapien, Donald

The present work examines the behavior of dielectric anisotropy and the elastic constants associated with the deformation of liquid crystal molecules under the influence of an AC electric field and measured by an Automatic Liquid Crystal Tester (ALCT). The systems investigated are of various concentrations of 5CB (4-Cyano-4'-pentylbiphenyl) and 8CB (4-octyl-4'-cyanobiphenyl) liquid crystal as a function of temperature. These studies are important due to the complexity of the coupling between the orientational (nematic) and positional (smectic A) order parameters that can drive this transition to be either continuous or discontinuous. Theoretically, NA transition is weakly first order due to nematic director fluctuations in semctic A phase. This is similar to the transition from normal to superconductor. Thus, there exists a triple point similar to He3/He4 mixtures. Moreover, despite more than four decades of intense work, our understanding of this complex and interesting problem remains unclear. The funding for the project was provided by Slippery Rock University (2015-2016).

The Dependency in the Elasticity of the Saccharomyces cerevisiae Cell Wall upon Cell Viability and Membrane Integrity

NASA Astrophysics Data System (ADS)

McPherson, Dacia; Zhu, Chenhui; Yi, Youngwoo; Clark, Noel

2007-03-01

In this study the elastic spring constant of the yeast cell wall is probed with the atomic force microscope (AFM) under variable conditions. Cells were sequentially analyzed in rich growth medium (YPD), a 0.8 M NaCl rich growth medium solution and an injection of 0.01% sodium azide solution. Cells in late log phase, which have variable diameters within three to five microns, were immobilized on a patterned silicon substrate with holes approximately 3.8um in diameter and 1.5um deep that was functionalized with polyethylenimine prior to cell application. Force curves were taken moving laterally across the cell in one dimension after exposure to each medium. Spring constants of the cells, calculated from force curves, displayed a positional dependency and marked differences in high osmolarity medium and after the injection of sodium azide. This study demonstrates the ability of the AFM to investigate changes in cell morphology and correlate those findings to underlying physiological processes.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ben-Avraham, Z.; Nur, A.

The elevation above sea level of circum-Pacific volcanoes situated on continental crust varies greatly, not only between various chains but also within chains. Their edifice heights, however, are essentially constant with each chain. This pattern is reversed for oceanic volcanoes: The elevation circum-Pacific volcanoes situated on oceanic curst is constant within arcs, while edifice heights are greatly variable. In continents the depth to the root zones of volcanoes may be within the elastic part of the lithosphere, whereas in the oceans it may be well below the elastic part of the lithosphere. We suggest that melting, or the onset ofmore » the volcanic uprising, may be controlled in both cases primarily by pressure: in the continental lithosphere by the overburden pressure determined by depth below the local surface and in the oceanic lithosphere by the isostatically compensated pressure zone controlled by depth below sea level. The pattern seems to hold even in complex geological regions and may be used to identify the nature of the crust in such regions.« less

Electronic structure and optical properties of CuAlO2 under biaxial strain.

PubMed

Ghosh, C K; Sarkar, D; Mitra, M K; Chattopadhyay, K K

2012-06-13

An ab initio calculation has been carried out to investigate the biaxial strain ( - 10.71% < ε < 9.13%) effect on elastic, electronic and optical properties of CuAlO(2). All the elastic constants (c(11), c(12), c(13), c(33)) except c(44) decrease (increase) during tensile (compressive) strain. The band gap is found to decrease in the presence of tensile as well as compressive strain. The relative decrease of the band gap is asymmetric with respect to the sign of the strain. Significant differences between the parallel and perpendicular components of the dielectric constant and the optical properties have been observed due to anisotropic crystal structure. It is further noticed that these properties are easily tunable by strain. Importantly, the collective oscillation of the valence electrons has been identified for light polarized perpendicular to the c-axis. From calculations, it is clear that the tensile strain can enhance the hole mobility as well as the transparency of CuAlO(2).

Electronic structure and optical properties of CuAlO2 under biaxial strain

NASA Astrophysics Data System (ADS)

Ghosh, C. K.; Sarkar, D.; Mitra, M. K.; Chattopadhyay, K. K.

2012-06-01

An ab initio calculation has been carried out to investigate the biaxial strain ( - 10.71% < ɛ < 9.13%) effect on elastic, electronic and optical properties of CuAlO2. All the elastic constants (c11, c12, c13, c33) except c44 decrease (increase) during tensile (compressive) strain. The band gap is found to decrease in the presence of tensile as well as compressive strain. The relative decrease of the band gap is asymmetric with respect to the sign of the strain. Significant differences between the parallel and perpendicular components of the dielectric constant and the optical properties have been observed due to anisotropic crystal structure. It is further noticed that these properties are easily tunable by strain. Importantly, the collective oscillation of the valence electrons has been identified for light polarized perpendicular to the c-axis. From calculations, it is clear that the tensile strain can enhance the hole mobility as well as the transparency of CuAlO2.

Confinement effects in premelting dynamics

NASA Astrophysics Data System (ADS)

Pramanik, Satyajit; Wettlaufer, John

2017-11-01

We examine the effects of confinement on the dynamics of premelted films driven by thermomolecular pressure gradients. Our approach is to modify a well-studied setting in which the thermomolecular pressure gradient is driven by a temperature gradient parallel to an interfacially premelted elastic wall. The modification treats the increase in viscosity associated with the thinning of films studied in a wide variety of materials using a power law and we examine the consequent evolution of the elastic wall. We treat (i) a range of interactions that are known to underlie interfacial premelting and (ii) a constant temperature gradient wherein the thermomolecular pressure gradient is a constant. The difference between the cases with and without the proximity effect arises in the volume flux of premelted liquid. The proximity effect increases the viscosity as the film thickness decreases thereby requiring the thermomolecular pressure driven flux to be accommodated at larger temperatures where the premelted film thickness is the largest. Implications for experiment and observations of frost heave are discussed.

Confinement effects in premelting dynamics

NASA Astrophysics Data System (ADS)

Pramanik, Satyajit; Wettlaufer, John S.

2017-11-01

We examine the effects of confinement on the dynamics of premelted films driven by thermomolecular pressure gradients. Our approach is to modify a well-studied setting in which the thermomolecular pressure gradient is driven by a temperature gradient parallel to an interfacially premelted elastic wall. The modification treats the increase in viscosity associated with the thinning of films, studied in a wide variety of materials, using a power law and we examine the consequent evolution of the confining elastic wall. We treat (1) a range of interactions that are known to underlie interfacial premelting and (2) a constant temperature gradient wherein the thermomolecular pressure gradient is a constant. The difference between the cases with and without the proximity effect arises in the volume flux of premelted liquid. The proximity effect increases the viscosity as the film thickness decreases thereby requiring the thermomolecular pressure driven flux to be accommodated at higher temperatures where the premelted film thickness is the largest. Implications for experiment and observations of frost heave are discussed.

A Linearized and Incompressible Constitutive Model for Arteries

PubMed Central

Liu, Y.; Zhang, W.; Wang, C.; Kassab, G. S.

2011-01-01

In many biomechanical studies, blood vessels can be modeled as pseudoelastic orthotropic materials that are incompressible (volume-preserving) under physiological loading. To use a minimum number of elastic constants to describe the constitutive behavior of arteries, we adopt a generalized Hooke’s law for the co-rotational Cauchy stress and a recently proposed logarithmic-exponential strain. This strain tensor absorbs the material nonlinearity and its trace is zero for volume-preserving deformations. Thus, the relationships between model parameters due to the incompressibility constraint are easy to analyze and interpret. In particular, the number of independent elastic constants reduces from ten to seven in the orthotropic model. As an illustratory study, we fit this model to measured data of porcine coronary arteries in inflation-stretch tests. Four parameters, n (material nonlinearity), Young’s moduli E1 (circumferential), E2 (axial), and E3 (radial) are necessary to fit the data. The advantages and limitations of this model are discussed. PMID:21605567

A linearized and incompressible constitutive model for arteries.

PubMed

Liu, Y; Zhang, W; Wang, C; Kassab, G S

2011-10-07

In many biomechanical studies, blood vessels can be modeled as pseudoelastic orthotropic materials that are incompressible (volume-preserving) under physiological loading. To use a minimum number of elastic constants to describe the constitutive behavior of arteries, we adopt a generalized Hooke's law for the co-rotational Cauchy stress and a recently proposed logarithmic-exponential strain. This strain tensor absorbs the material nonlinearity and its trace is zero for volume-preserving deformations. Thus, the relationships between model parameters due to the incompressibility constraint are easy to analyze and interpret. In particular, the number of independent elastic constants reduces from ten to seven in the orthotropic model. As an illustratory study, we fit this model to measured data of porcine coronary arteries in inflation-stretch tests. Four parameters, n (material nonlinearity), Young's moduli E₁ (circumferential), E₂ (axial), and E₃ (radial) are necessary to fit the data. The advantages and limitations of this model are discussed. Copyright © 2011 Elsevier Ltd. All rights reserved.

Simplified Calculation Model and Experimental Study of Latticed Concrete-Gypsum Composite Panels.

PubMed

Jiang, Nan; Ma, Shaochun

2015-10-27

In order to address the performance complexity of the various constituent materials of (dense-column) latticed concrete-gypsum composite panels and the difficulty in the determination of the various elastic constants, this paper presented a detailed structural analysis of the (dense-column) latticed concrete-gypsum composite panel and proposed a feasible technical solution to simplified calculation. In conformity with mechanical rules, a typical panel element was selected and divided into two homogenous composite sub-elements and a secondary homogenous element, respectively for solution, thus establishing an equivalence of the composite panel to a simple homogenous panel and obtaining the effective formulas for calculating the various elastic constants. Finally, the calculation results and the experimental results were compared, which revealed that the calculation method was correct and reliable and could meet the calculation needs of practical engineering and provide a theoretical basis for simplified calculation for studies on composite panel elements and structures as well as a reference for calculations of other panels.

Interatomic potential to study plastic deformation in tungsten-rhenium alloys

NASA Astrophysics Data System (ADS)

Bonny, G.; Bakaev, A.; Terentyev, D.; Mastrikov, Yu. A.

2017-04-01

In this work, an interatomic potential for the W-Re system is fitted and benchmarked against experimental and density functional theory (DFT) data, of which part are generated in this work. Having in mind studies related to the plasticity of W-Re alloys under irradiation, emphasis is put on fitting point-defect properties, elastic constants, and dislocation properties. The developed potential can reproduce the mechanisms responsible for the experimentally observed softening, i.e., decreasing shear moduli, decreasing Peierls barrier, and asymmetric screw dislocation core structure with increasing Re content in W-Re solid solutions. In addition, the potential predicts elastic constants in reasonable agreement with DFT data for the phases forming non-coherent precipitates (σ- and χ-phases) in W-Re alloys. In addition, the mechanical stability of the different experimentally observed phases is verified in the temperature range of interest (700-1500 K). As a conclusion, the presented potential provides an excellent tool to study plasticity in W-Re alloys at the atomic level.

Modelling Pre-eruptive Progressive Damage in Basaltic Volcanoes: Consequences for the Pre-eruptive Process

NASA Astrophysics Data System (ADS)

Got, J. L.; Amitrano, D.; Carrier, A.; Marsan, D.; Jouanne, F.; Vogfjord, K. S.

2017-12-01

At Grimsvötn volcano, high-quality earthquake and continuous GPS data were recorded by the Icelandic Meteorological Office during its 2004-2011 inter-eruptive period and exhibited remarkable patterns : acceleration of the cumulated earthquake number, and a 2-year exponential decrease in displacement rate followed by a 4-year constant inflation rate. We proposed a model with one magma reservoir in a non-linear elastic damaging edifice, with incompressible magma and a constant pressure at the base of the magma conduit. We first modelled seismicity rate and damage as a function of time, and show that Kachanov's elastic brittle damage law may be used to express the decrease of the effective shear modulus with time. We then derived simple analytical expressions for the magma reservoir overpressure and the surface displacement as a function of time. We got a very good fit of the seismicity and surface displacement data by adjusting only three phenomenological parameters and computed magma reservoir overpressure, magma flow and strain power as a function of time. Overpressure decrease is controlled by damage and shear modulus decrease. Displacement increases, although overpressure is decreasing, because shear modulus decreases more than overpressure. Normalized strain power reaches a maximum 0.25 value. This maximum is a physical limit, after which the elasticity laws are no longer valid, earthquakes cluster, cumulative number of earthquakes departs from the model. State variable extrema provide four reference times that may be used to assess the mechanical state and dynamics of the volcanic edifice. We also performed the spatial modelling of the progressive damage and strain localization around a pressurized magma reservoir. We used Kachanov's damage law and finite element modelling of an initially elastic volcanic edifice pressurized by a spherical magma reservoir, with a constant pressure in the reservoir and various external boundary conditions. At each node of the model, Young's modulus is decreased if deviatoric stress locally reaches the Mohr-Coulomb plastic threshold. For a compressive horizontal stress, the result shows a complex strain localization pattern, showing reverse and normal faulting very similar to what is obtained from analog modelling and observed at volcanic resurgent domes.

Modeling of composite beams and plates for static and dynamic analysis

NASA Technical Reports Server (NTRS)

Hodges, Dewey H.

1992-01-01

A rigorous theory and the corresponding computational algorithms were developed for through-the-thickness analysis of composite plates. This type of analysis is needed in order to find the elastic stiffness constants of a plate. Additionally, the analysis is used to post-process the resulting plate solution in order to find approximate three-dimensional displacement, strain, and stress distributions throughout the plate. It was decided that the variational-asymptotical method (VAM) would serve as a suitable framework in which to solve these types of problems. Work during this reporting period has progressed along two lines: (1) further evaluation of neo-classical plate theory (NCPT) as applied to shear-coupled laminates; and (2) continued modeling of plates with nonuniform thickness.

Nonlinear Visco-Elastic Response of Composites via Micro-Mechanical Models

NASA Technical Reports Server (NTRS)

Gates, Thomas S.; Sridharan, Srinivasan

2005-01-01

Micro-mechanical models for a study of nonlinear visco-elastic response of composite laminae are developed and their performance compared. A single integral constitutive law proposed by Schapery and subsequently generalized to multi-axial states of stress is utilized in the study for the matrix material. This is used in conjunction with a computationally facile scheme in which hereditary strains are computed using a recursive relation suggested by Henriksen. Composite response is studied using two competing micro-models, viz. a simplified Square Cell Model (SSCM) and a Finite Element based self-consistent Cylindrical Model (FECM). The algorithm is developed assuming that the material response computations are carried out in a module attached to a general purpose finite element program used for composite structural analysis. It is shown that the SSCM as used in investigations of material nonlinearity can involve significant errors in the prediction of transverse Young's modulus and shear modulus. The errors in the elastic strains thus predicted are of the same order of magnitude as the creep strains accruing due to visco-elasticity. The FECM on the other hand does appear to perform better both in the prediction of elastic constants and the study of creep response.

Fore and aft elastic response characteristics of 34 x 9.9, type 7, 14 ply-rating aircraft tires of bias-ply, bias-belted, and radial-belted design. M.S. Thesis - George Washington Univ., May 1973; [static and rolling tests on dry concrete pavements

NASA Technical Reports Server (NTRS)

Tanner, J. A.

1974-01-01

An investigation was conducted to determine the fore-and-aft elastic response characteristics of 34 x 9.9, type VII, 14 ply-rating aircraft tires of bias-ply, bias-belted, and radial-belted design. The investigation consisted of static and rolling tests on dry concrete pavements at the Langley aircraft landing loads and traction facility; statistical techniques which related the measured tire elastic characteristics to variations in the vertical load, inflation pressure, braking force and/or tire vertical deflection; and a semiempirical analysis which related the tire elastic behavior to measured wheel slippage during steady-state braking. The bias-belted tire developed the largest spring constant value for most loading conditions; the radial-belted tire, the smallest. The elastic response of the tire free periphery to static braking included both tread stretch and carcass torsional wind-up about the axle for the bias-ply and bias-belted tires and carcass wind-up alone for the radial-belted tire.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saha, Sourav, E-mail: ssaha09@me.buet.ac.bd; Mojumder, Satyajit; Mahboob, Monon

2016-07-12

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 (10 K ~ 1500 K) to observe elastic behavior of Tungsten nanowire under uniaxial tensile loading. EAMmore » potential is used for molecular dynamic simulation. We applied constant strain rate of 10{sup 9} s{sup −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.« less

Elastic facial movement influences part-based but not holistic processing

PubMed Central

Xiao, Naiqi G.; Quinn, Paul C.; Ge, Liezhong; Lee, Kang

2013-01-01

Face processing has been studied for decades. However, most of the empirical investigations have been conducted using static face images as stimuli. Little is known about whether static face processing findings can be generalized to real world contexts, in which faces are constantly moving. The present study investigates the nature of face processing (holistic vs. part-based) in elastic moving faces. Specifically, we focus on whether elastic moving faces, as compared to static ones, can facilitate holistic or part-based face processing. Using the composite paradigm, participants were asked to remember either an elastic moving face (i.e., a face that blinks and chews) or a static face, and then tested with a static composite face. The composite effect was (1) significantly smaller in the dynamic condition than in the static condition, (2) consistently found with different face encoding times (Experiments 1–3), and (3) present for the recognition of both upper and lower face parts (Experiment 4). These results suggest that elastic facial motion facilitates part-based processing, rather than holistic processing. Thus, while previous work with static faces has emphasized an important role for holistic processing, the current work highlights an important role for featural processing with moving faces. PMID:23398253

Translation by anisotropic peeling or fracturing in elastic media

NASA Astrophysics Data System (ADS)

Zheng, Zhong; Lister, John; Neufeld, Jerome

2017-11-01

The influence of rock anisotropy on the direction of hydraulic fracturing is an important open question. Two canonical systems have been proposed to investigate the fundamental aspects of such fluid-structure interaction problems: (i) Fluid injection and fracturing into an infinite elastic matrix (e.g., solid gelatin) and (ii) Fluid invasion and peeling beneath a deforming elastic sheet (e.g., bending plate). We investigate the second system and impose a non-uniform prewetting film thickness beneath the elastic sheet. We notice that while the bulk of the elastic sheet retains the static blister shape, a non-uniform prewetting film thickness can cause a horizontal translation of the blister. In particular, for a step jump in prewetting film thickness, asymptotic analysis indicates that, under constant fluid injection, the horizontal translation follows a t 7 / 17 time dependence in cartesian coordinates, and the prefactor of power-law translation depends on the ratio of the distinct prewetting film thicknesses on either side. We also provide numerical and experimental evidence demonstrating anisotropic blister evolution. This can be thought of as a model system for fluid-driven fracturing where the non-uniform prewetting film thickness mimics heterogeneity in material toughness.

Stability analysis of nanoscale surface patterns in stressed solids

NASA Astrophysics Data System (ADS)

Kostyrko, Sergey A.; Shuvalov, Gleb M.

2018-05-01

Here, we use the theory of surface elasticity to extend the morphological instability analysis of stressed solids developed in the works of Asaro, Tiller, Grinfeld, Srolovitz and many others. Within the framework of Gurtin-Murdoch model, the surface phase is assumed to be a negligibly thin layer with the elastic properties which differ from those of the bulk material. We consider the mass transport mechanism driven by the variation of surface and bulk energy along undulated surface of stressed solid. The linearized surface evolution equation is derived in the case of plane strain conditions and describes the amplitude change of surface perturbations with time. A parametric analysis of this equation leads to the definition of critical conditions which depend on undulation wavelength, residual surface stress, applied loading, surface and bulk elastic constants and predict the surface morphological stability.

First principle study of structural, elastic and electronic properties of APt3 (A=Mg, Sc, Y and Zr)

NASA Astrophysics Data System (ADS)

Benamer, A.; Roumili, A.; Medkour, Y.; Charifi, Z.

2018-02-01

We report results obtained from first principle calculations on APt3 compounds with A=Mg, Sc, Y and Zr. Our results of the lattice parameter a are in good agreement with experimental data, with deviations less than 0.8%. Single crystal elastic constants are calculated, then polycrystalline elastic moduli (bulk, shear and Young moduli, Poisson ration, anisotropy factor) are presented. Based on Debye model, Debye temperature ϴD is calculated from the sound velocities Vl, Vt and Vm. Band structure results show that the studied compounds are electrical conductors, the conduction mechanism is assured by Pt-d electrons. Different hybridisation states are observed between Pt-d and A-d orbitals. The study of the charge density distribution and the population analysis shows the coexistence of ionic, covalent and metallic bonds.

Entropic vs. elastic models of fragility of glass-forming liquids: Two sides of the same coin?

NASA Astrophysics Data System (ADS)

Sen, Sabyasachi

2012-10-01

The two most influential atomistic models that have been proposed in the literature to explain the temperature dependent activation energy of viscous flow of a glass-forming liquid, i.e., its fragility, are the configurational entropy model of Adam and Gibbs [J. Chem. Phys. 43, 139 (1965), 10.1063/1.1696442] and the elastic "shoving" model of Dyre et al. [J. Non-Cryst. Solids 352, 4635 (2006), 10.1016/j.jnoncrysol.2006.02.173]. Here we demonstrate a qualitative equivalence between these two models starting from the well-established general relationships between the interatomic potentials, elastic constants, structural rearrangement, and entropy in amorphous materials. The unification of these two models provides important predictions that are consistent with experimental observations and shed new light into the problem of glass transition.

Adiabatic bulk modulus of elasticity for 2D liquid dusty plasmas

NASA Astrophysics Data System (ADS)

Feng, Yan; Huang, Dong; Li, Wei

2018-05-01

From the recently obtained equation of state (EOS) for two-dimensional (2D) liquid dusty plasmas, their various physical quantities have been derived analytically, such as the specific heat CV, the Grüneisen parameter, the bulk modulus of elasticity, and the isothermal compressibility. Here, the coefficient of volumetric thermal expansion αV and the relative pressure coefficient αP of 2D liquid dusty plasmas are derived from their EOS. Using the obtained CV, αV, and αP, the analytical expression of their heat capacity under constant-pressure conditions CP is obtained. Thus, the heat capacity ratio, expressed as CP/CV , is analytically achieved. Then the adiabatic bulk modulus of elasticity is derived, so that the adiabatic sound speeds are obtained. These obtained results are compared with previous findings using a different approach.

Improvement in elastic properties of CuAl{sub 0.4}Fe{sub 1.6}O{sub 4} spinel ferrite by rapid thermal cooling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Modi, K. B., E-mail: kunalbmodi2003@yahoo.com; Shah, S. J., E-mail: kunalbmodi2003@yahoo.com; Pathak, T. K., E-mail: kunalbmodi2003@yahoo.com

2014-04-24

The elastic properties of spinel ferrite composition, CuAl{sub 0.4}Fe{sub 1.6}O{sub 4}, quenched from final sintering temperature of 1373 K to liquid nitrogen temperature (∼ 80K) have been studied by means of X-ray powder diffractometry and pulse echo-overlap technique (9 MHz) at 300 K. The magnitude of elastic constants is found to enhance by 15% compared to slowly-cooled counterpart. The observed mechanical strengthening has been discussed in the light of compressive stress on the surface, with tensile stresses at interior regions and corresponding changes in structural parameters. The B{sub o}/G{sub o} ratio indicates the brittle nature of CuAl{sub 0.4}Fe{sub 1.6}O{sub 4}.