Mechanical, Anisotropic, and Electronic Properties of XN (X = C, Si, Ge): Theoretical Investigations.

Science.gov (United States)

Ma, Zhenyang; Liu, Xuhong; Yu, Xinhai; Shi, Chunlei; Wang, Dayun

2017-08-08

The structural, mechanical, elastic anisotropic, and electronic properties of Pbca -XN (X = C, Si, Ge) are investigated in this work using the Perdew-Burke-Ernzerhof (PBE) functional, Perdew-Burke-Ernzerhof for solids (PBEsol) functional, and Ceperly and Alder, parameterized by Perdew and Zunger (CA-PZ) functional in the framework of density functional theory. The achieved results for the lattice parameters and band gap of Pbca -CN with the PBE functional in this research are in good accordance with other theoretical results. The band structures of Pbca -XN (X = C, Si, Ge) show that Pbca -SiN and Pbca -GeN are both direct band gap semiconductor materials with a band gap of 3.39 eV and 2.22 eV, respectively. Pbca -XN (X = C, Si, Ge) exhibits varying degrees of mechanical anisotropic properties with respect to the Poisson's ratio, bulk modulus, shear modulus, Young's modulus, and universal anisotropic index. The (001) plane and (010) plane of Pbca -CN/SiN/GeN both exhibit greater elastic anisotropy in the bulk modulus and Young's modulus than the (100) plane.

Elastic waves trapped by a homogeneous anisotropic semicylinder

Energy Technology Data Exchange (ETDEWEB)

Nazarov, S A [Institute of Problems of Mechanical Engineering, Russian Academy of Sciences, St.-Petersburg (Russian Federation)

2013-11-30

It is established that the problem of elastic oscillations of a homogeneous anisotropic semicylinder (console) with traction-free lateral surface (Neumann boundary condition) has no eigenvalues when the console is clamped at one end (Dirichlet boundary condition). If the end is free, under additional requirements of elastic and geometric symmetry, simple sufficient conditions are found for the existence of an eigenvalue embedded in the continuous spectrum and generating a trapped elastic wave, that is, one which decays at infinity at an exponential rate. The results are obtained by generalizing the methods developed for scalar problems, which however require substantial modification for the vector problem in elasticity theory. Examples are given and open questions are stated. Bibliography: 53 titles.

Numerical simulation of ultrasonic wave propagation in elastically anisotropic media

International Nuclear Information System (INIS)

Jacob, Victoria Cristina Cheade; Jospin, Reinaldo Jacques; Bittencourt, Marcelo de Siqueira Queiroz

2013-01-01

The ultrasonic non-destructive testing of components may encounter considerable difficulties to interpret some inspections results mainly in anisotropic crystalline structures. A numerical method for the simulation of elastic wave propagation in homogeneous elastically anisotropic media, based on the general finite element approach, is used to help this interpretation. The successful modeling of elastic field associated with NDE is based on the generation of a realistic pulsed ultrasonic wave, which is launched from a piezoelectric transducer into the material under inspection. The values of elastic constants are great interest information that provide the application of equations analytical models, until small and medium complexity problems through programs of numerical analysis as finite elements and/or boundary elements. The aim of this work is the comparison between the results of numerical solution of an ultrasonic wave, which is obtained from transient excitation pulse that can be specified by either force or displacement variation across the aperture of the transducer, and the results obtained from a experiment that was realized in an aluminum block in the IEN Ultrasonic Laboratory. The wave propagation can be simulated using all the characteristics of the material used in the experiment valuation associated to boundary conditions and from these results, the comparison can be made. (author)

Mechanical, Anisotropic, and Electronic Properties of XN (X = C, Si, Ge): Theoretical Investigations

Science.gov (United States)

Ma, Zhenyang; Liu, Xuhong; Yu, Xinhai; Shi, Chunlei; Wang, Dayun

2017-01-01

The structural, mechanical, elastic anisotropic, and electronic properties of Pbca-XN (X = C, Si, Ge) are investigated in this work using the Perdew–Burke–Ernzerhof (PBE) functional, Perdew–Burke–Ernzerhof for solids (PBEsol) functional, and Ceperly and Alder, parameterized by Perdew and Zunger (CA–PZ) functional in the framework of density functional theory. The achieved results for the lattice parameters and band gap of Pbca-CN with the PBE functional in this research are in good accordance with other theoretical results. The band structures of Pbca-XN (X = C, Si, Ge) show that Pbca-SiN and Pbca-GeN are both direct band gap semiconductor materials with a band gap of 3.39 eV and 2.22 eV, respectively. Pbca-XN (X = C, Si, Ge) exhibits varying degrees of mechanical anisotropic properties with respect to the Poisson’s ratio, bulk modulus, shear modulus, Young’s modulus, and universal anisotropic index. The (001) plane and (010) plane of Pbca-CN/SiN/GeN both exhibit greater elastic anisotropy in the bulk modulus and Young’s modulus than the (100) plane. PMID:28786960

Uniqueness in the inverse boundary value problem for piecewise homogeneous anisotropic elasticity

OpenAIRE

Cârstea, Cătălin I.; Honda, Naofumi; Nakamura, Gen

2016-01-01

Consider a three dimensional piecewise homogeneous anisotropic elastic medium $\\Omega$ which is a bounded domain consisting of a finite number of bounded subdomains $D_\\alpha$, with each $D_\\alpha$ a homogeneous elastic medium. One typical example is a finite element model with elements with curvilinear interfaces for an ansiotropic elastic medium. Assuming the $D_\\alpha$ are known and Lipschitz, we are concerned with the uniqueness in the inverse boundary value problem of identifying the ani...

Effect of elastic anisotropy of crystal grain on stress intensity factor

Energy Technology Data Exchange (ETDEWEB)

Kamaya, Masayuki [Inst. of Nuclear Safety System Inc., Mihama, Fukui (Japan)

2002-09-01

The stress intensity factor (SIF) is used widely for evaluating integrity of cracked components. Usually, the SIF obtained under isotropic elastic conditions is used for the evaluations. Although, macroscopic elastic behaviors of polycrystal materials can be considered isotropic, each crystal has anisotropic elastic properties. This implies that if the crack size is small and the influence of anisotropic elastic properties on the stress around cracks is significant, the SIF evaluated under anisotropic elastic conditions may differ from the SIF obtained under isotropic elastic conditions. In the present study, the effect of anisotropic elasticity on the SIF was evaluated by using the finite element analysis (FEA). First, the SIF of semi-circular cracks located in a single crystal was evaluated. It was found that the SIF is affected crystal orientation. Secondly, FEA using a polycrystal model was performed. It was found that the change in the SIF was caused by crack tip crystal orientation as well as the deformation constraint from neighboring crystals. Finally, the statistical tendency of change in the SIF caused by the anisotropic elastic properties and the relationship with crack size were examined. The influence of the local SIF on crack growth behavior is also discussed. (author)

Effect of elastic anisotropy of crystal grain on stress intensity factor

International Nuclear Information System (INIS)

Kamaya, Masayuki

2002-01-01

The stress intensity factor (SIF) is used widely for evaluating integrity of cracked components. Usually, the SIF obtained under isotropic elastic conditions is used for the evaluations. Although, macroscopic elastic behaviors of polycrystal materials can be considered isotropic, each crystal has anisotropic elastic properties. This implies that if the crack size is small and the influence of anisotropic elastic properties on the stress around cracks is significant, the SIF evaluated under anisotropic elastic conditions may differ from the SIF obtained under isotropic elastic conditions. In the present study, the effect of anisotropic elasticity on the SIF was evaluated by using the finite element analysis (FEA). First, the SIF of semi-circular cracks located in a single crystal was evaluated. It was found that the SIF is affected crystal orientation. Secondly, FEA using a polycrystal model was performed. It was found that the change in the SIF was caused by crack tip crystal orientation as well as the deformation constraint from neighboring crystals. Finally, the statistical tendency of change in the SIF caused by the anisotropic elastic properties and the relationship with crack size were examined. The influence of the local SIF on crack growth behavior is also discussed. (author)

Anisotropic properties of single crystals of high Tc superconductors

International Nuclear Information System (INIS)

Tholence, J.L.; Saint-Paul, M.; Laborde, O.; Monceau, P.; Guillot, M.; Niel, H.; Levet, J.C.; Potel, M.; Padiou, J.; Gougeon, P.

1990-01-01

In this article the authors make a review of some of the anisotropic properties of high T c compounds, essentially RE Ba 2 Cu 3 O 7 , Bi-SR-Ca-Cu-O and Tl-Ca-Ba-Cu-O systems. In section 2 a short description of the crystal growth is reported. Section 3 deals with the anisotropic elastic properties measured by ultrasonic techniques. In section 4 the authors discuss the anisotropy in magnetization measurements and consequently on the critical currents. Section 5 concerns the magnetoresistance measurements, and the determination of the superconducting critical magnetic field H c2 . Finally in section 6, in conclusion of result described in sections 4 and 5, the authors discuss on the pinning force and on the controversial Lorentz force for explaining the broadening of the superconducting transition under magnetic field. The authors apologize for not having quoted all the works published on these different topics, which is in fact practically impossible

TOPICAL REVIEW Textured silicon nitride: processing and anisotropic properties

Directory of Open Access Journals (Sweden)

Xinwen Zhu and Yoshio Sakka

2008-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Gao, Kai, E-mail: kaigao87@gmail.com [Department of Geology and Geophysics, Texas A& M University, College Station, TX 77843 (United States); Fu, Shubin, E-mail: shubinfu89@gmail.com [Department of Mathematics, Texas A& M University, College Station, TX 77843 (United States); Gibson, Richard L., E-mail: gibson@tamu.edu [Department of Geology and Geophysics, Texas A& M University, College Station, TX 77843 (United States); Chung, Eric T., E-mail: tschung@math.cuhk.edu.hk [Department of Mathematics, The Chinese University of Hong Kong, Shatin, NT (Hong Kong); Efendiev, Yalchin, E-mail: efendiev@math.tamu.edu [Department of Mathematics, Texas A& M University, College Station, TX 77843 (United States); Numerical Porous Media SRI Center (NumPor), King Abdullah University of Science and Technology, Thuwal (Saudi Arabia)

2015-08-15

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

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

International Nuclear Information System (INIS)

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

2015-01-01

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

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

KAUST Repository

Gao, Kai

2015-04-14

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

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

Directory of Open Access Journals (Sweden)

Pei-tao Wang

2013-01-01

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

Fast algorithms for evaluating the stress field of dislocation lines in anisotropic elastic media

Science.gov (United States)

Chen, C.; Aubry, S.; Oppelstrup, T.; Arsenlis, A.; Darve, E.

2018-06-01

In dislocation dynamics (DD) simulations, the most computationally intensive step is the evaluation of the elastic interaction forces among dislocation ensembles. Because the pair-wise interaction between dislocations is long-range, this force calculation step can be significantly accelerated by the fast multipole method (FMM). We implemented and compared four different methods in isotropic and anisotropic elastic media: one based on the Taylor series expansion (Taylor FMM), one based on the spherical harmonics expansion (Spherical FMM), one kernel-independent method based on the Chebyshev interpolation (Chebyshev FMM), and a new kernel-independent method that we call the Lagrange FMM. The Taylor FMM is an existing method, used in ParaDiS, one of the most popular DD simulation softwares. The Spherical FMM employs a more compact multipole representation than the Taylor FMM does and is thus more efficient. However, both the Taylor FMM and the Spherical FMM are difficult to derive in anisotropic elastic media because the interaction force is complex and has no closed analytical formula. The Chebyshev FMM requires only being able to evaluate the interaction between dislocations and thus can be applied easily in anisotropic elastic media. But it has a relatively large memory footprint, which limits its usage. The Lagrange FMM was designed to be a memory-efficient black-box method. Various numerical experiments are presented to demonstrate the convergence and the scalability of the four methods.

Elastic properties

International Nuclear Information System (INIS)

Ledbetter, H.M.

1983-01-01

This chapter investigates the following five aspects of engineering-material solid-state elastic constants: general properties, interrelationships, relationships to other physical properties, changes during cooling from ambient to near-zero temperature, and near-zero-temperature behavior. Topics considered include compressibility, bulk modulus, Young's modulus, shear modulus, Poisson's ratio, Hooke's law, elastic-constant measuring methods, thermodynamic potentials, higher-order energy terms, specific heat, thermal expansivity, magnetic materials, structural phase transitions, polymers, composites, textured aggregates, and other-phenomena correlations. Some of the conclusions concerning polycrystalline elastic properties and their temperature dependence are: elastic constants are physical, not mechanical, properties which relate thermodynamically to other physical properties such as specific heat and thermal expansivity; elastic constants at low temperatures are nearly temperature independent, as required by the third law of thermodynamics; and elastic constants can be used to study directional properties of materials, such as textured aggregates and composites

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

Science.gov (United States)

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

2010-06-22

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

Characterization of Anisotropic Behavior for High Grade Pipes

Science.gov (United States)

Yang, Kun; Huo, Chunyong; Ji, Lingkang; Li, Yang; Zhang, Jiming; Ma, Qiurong

With the developing requirement of nature gas, the property needs of steel for pipe line are higher and higher, especially in strength and toughness. It is necessary to improve the steel grade in order to ensure economic demand and safety. However, with the rise of steel grade, the differences on properties in different orientations (anisotropic behaviors) become more and more obvious after the process of hot rolling, which may affect the prediction of fracture for the pipes seriously (Thinking of isotropic mechanical properties for material in traditional predict way). In order to get the reason for anisotropic mechanics, a series of tests are carried out for high grade steel pipes, including not only mechanical properties but also microstructures. Result indicates that there are obviously anisotropic behaviors for high grade steel pipes in two orientations (rolling orientation and transverse orientation). Strength is better in T orientation because Rm is higher and Rt 0.5 rises more in T orientation, and toughness is better in L orientation because of the higher Akv and SA in L orientation under a same temperature. Banded structures are formed in T orientation, and the spatial distribution of inclusion and precipitated phases are different in T, L and S orientation. The anisotropic arrangement for the matrix in space (banded structures), which is formed after the process of hot rolling, may affect the mechanical properties in different orientation. Moreover, the elasticity modulus of particles is different from the elasticity modulus of matrix, deformation between particles and matrix may cause stress concentration, and damage forms in this place. Because of the different distribution of particles in space, the level of damage is anisotropic in different orientations, and the anisotropic mechanical properties occur finally. Therefore, the anisotropic mechanical properties are determined by the anisotropic microstructures, both the anisotropic of matrix and the

Circumferential gap propagation in an anisotropic elastic bacterial sacculus

OpenAIRE

Taneja, Swadhin; Levitan, Benjamin A.; Rutenberg, Andrew D.

2013-01-01

We have modelled stress concentration around small gaps in anisotropic elastic sheets, corresponding to the peptidoglycan sacculus of bacterial cells, under loading corresponding to the effects of turgor pressure in rod-shaped bacteria. We find that under normal conditions the stress concentration is insufficient to mechanically rupture bacteria, even for gaps up to a micron in length. We then explored the effects of stress-dependent smart-autolysins, as hypothesised by Arthur L Koch [Advance...

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

KAUST Repository

Chu, Chunlei

2009-01-01

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

Seismic distortions of a deep circular tunnel in elastic slightly anisotropic ground

Directory of Open Access Journals (Sweden)

Antonio Bobet

2017-06-01

Full Text Available Tunnels must withstand not only the demands stemming from normal working conditions but also from extreme events such as earthquakes. Indeed, there is consistent evidence in the technical literature that indicates that tunnels are vulnerable to damage and must be designed to adequately support the demand imposed by the earthquake. Such demand should be estimated using dynamic numerical methods that include soil-structure interaction and incorporate realistic models for the support and surrounding ground. For preliminary analysis, however, or when the seismic demand is insufficient to take the ground beyond its elastic regime, analytical solutions may provide a reasonable estimate of the tunnel behavior, especially if the tunnel is sufficiently far from the seismic source such that a pseudo-static analysis is acceptable. Most analytical solutions are based on the assumption that the ground is isotropic, which may not be realistic, as e.g. depositional processes may result in engineering properties that depend on the direction of deposition. The work presented in the paper builds on the results by Bobet (2011, 2016 who provided closed-form solutions for deep tunnels in elastic transversely anisotropic ground; however, the paper provides much simpler solutions for those cases where the ground is slightly anisotropic. A comparison between the approximate and the exact solutions shows that the errors are negligible when the ground anisotropy is small and grow, albeit slowly, as the ground anisotropy increases. The conclusion applies to different loading conditions, drained and undrained, and to different ground-support interfaces, tied or frictionless.

Stress field of a near-surface basal screw dislocation in elastically anisotropic hexagonal crystals

Directory of Open Access Journals (Sweden)

Valeri S. Harutyunyan

2017-11-01

Full Text Available In this study, we derive and analyze the analytical expressions for stress components of the dislocation elastic field induced by a near-surface basal screw dislocation in a semi-infinite elastically anisotropic material with hexagonal crystal lattice. The variation of above stress components depending on “free surface–dislocation” distance (i.e., free surface effect is studied by means of plotting the stress distribution maps for elastically anisotropic crystals of GaN and TiB2 that exhibit different degrees of elastic anisotropy. The dependence both of the image force on a screw dislocation and the force of interaction between two neighboring basal screw dislocations on the “free surface–dislocation” distance is analyzed as well. The influence of elastic anisotropy on the latter force is numerically analyzed for GaN and TiB2 and also for crystals of such highly elastically-anisotropic materials as Ti, Zn, Cd, and graphite. The comparatively stronger effect of the elastic anisotropy on dislocation-induced stress distribution quantified for TiB2 is attributed to the higher degree of elastic anisotropy of this compound in comparison to that of the GaN. For GaN and TiB2, the dislocation stress distribution maps are highly influenced by the free surface effect at “free surface–dislocation” distances roughly smaller than ≈15 and ≈50 nm, respectively. It is found that, for above indicated materials, the relative decrease of the force of interaction between near-surface screw dislocations due to free surface effect is in the order Ti > GaN > TiB2 > Zn > Cd > Graphite that results from increase of the specific shear anisotropy parameter in the reverse order Ti < GaN < TiB2 < Zn < Cd < Graphite. The results obtained in this study are also applicable to the case when a screw dislocation is situated in the “thin film–substrate” system at a (0001 basal interface between the film and substrate provided that the elastic constants

Complete volumetric decomposition of individual trabecular plates and rods and its morphological correlations with anisotropic elastic moduli in human trabecular bone.

Science.gov (United States)

Liu, X Sherry; Sajda, Paul; Saha, Punam K; Wehrli, Felix W; Bevill, Grant; Keaveny, Tony M; Guo, X Edward

2008-02-01

Trabecular plates and rods are important microarchitectural features in determining mechanical properties of trabecular bone. A complete volumetric decomposition of individual trabecular plates and rods was used to assess the orientation and morphology of 71 human trabecular bone samples. The ITS-based morphological analyses better characterize microarchitecture and help predict anisotropic mechanical properties of trabecular bone. Standard morphological analyses of trabecular architecture lack explicit segmentations of individual trabecular plates and rods. In this study, a complete volumetric decomposition technique was developed to segment trabecular bone microstructure into individual plates and rods. Contributions of trabecular type-associated morphological parameters to the anisotropic elastic moduli of trabecular bone were studied. Seventy-one human trabecular bone samples from the femoral neck (FN), tibia, and vertebral body (VB) were imaged using muCT or serial milling. Complete volumetric decomposition was applied to segment trabecular bone microstructure into individual plates and rods. The orientation of each individual trabecula was determined, and the axial bone volume fractions (aBV/TV), axially aligned bone volume fraction along each orthotropic axis, were correlated with the elastic moduli. The microstructural type-associated morphological parameters were derived and compared with standard morphological parameters. Their contributions to the anisotropic elastic moduli, calculated by finite element analysis (FEA), were evaluated and compared. The distribution of trabecular orientation suggested that longitudinal plates and transverse rods dominate at all three anatomic sites. aBV/TV along each axis, in general, showed a better correlation with the axial elastic modulus (r(2) = 0.95 approximately 0.99) compared with BV/TV (r(2) = 0.93 approximately 0.94). The plate-associated morphological parameters generally showed higher correlations with the

First-principles study of optical, elastic anisotropic and thermodynamic properties of TiN under high temperature and high pressure

Directory of Open Access Journals (Sweden)

R. Yang

2017-12-01

Full Text Available The optical, elastic anisotropic and thermodynamic properties of TiN in the NaCl (B1 structure are analyzed in detail in the temperature range from 0 to 2000 K and the pressure range from 0 to 20 GPa. From the calculated dielectric constants, a first order isostructural phase transition between 29 and 30 GPa is found for TiN. The absorption spectra exhibit high values ranging from the far infrared region to the ultra-violet one. The anisotropy value of Young's modulus of TiN is smaller than that of c-BN at 0 GPa and the anisotropy of TiN clearly increases with an increase of pressure. The effects of pressure and temperature on the bulk modulus, Grüneisen parameter, Gibbs free energy, and Debye temperature are significant. The Grüneisen parameter of TiN is much larger than that of c-BN. At temperatures below 1000 K, TiN's heat capacity is much larger than that of c-BN.

Effect of reorientation of anisotropic point defects on relaxation of crystal elastic coefficients of high order

International Nuclear Information System (INIS)

Topchyan, I.I.; Dokhner, R.D.

1977-01-01

The effect of reorientation of anisotropic point defects in uniform fields of elastic stresses on the relaxation of the elastic coefficients of a crystal was investigated in the nonlinear elasticity theory approximation. In calculating the interaction of point defects with elastic-stress fields was taken into consideration. The expression for the relaxations of the elasticity coefficients are obtained in an analytical form. The relaxation of the second-order elasticity coefficients is due to the dimentional interaction of a point defect with an applied-stress field, whereas the relaxation of the higher-order elasticity coefficients is determined both by dimentional and module effects

Contact instabilities of anisotropic and inhomogeneous soft elastic films

Science.gov (United States)

Tomar, Gaurav; Sharma, Ashutosh

2012-02-01

Anisotropy plays important roles in various biological phenomena such as adhesion of geckos and grasshoppers enabled by the attachment pods having hierarchical structures like thin longitudinal setae connected with threads mimicked by anisotropic films. We study the contact instability of a transversely isotropic thin elastic film when it comes in contact proximity of another surface. In the present study we investigate the contact stability of a thin incompressible transversely isotropic film by performing linear stability analysis. Based on the linear stability analysis, we show that an approaching contactor renders the film unstable. The critical wavelength of the instability is a function of the total film thickness and the ratio of the Young's modulus in the longitudinal direction and the shear modulus in the plane containing the longitudinal axis. We also analyze the stability of a thin gradient film that is elastically inhomogeneous across its thickness. Compared to a homogeneous elastic film, it becomes unstable with a longer wavelength when the film becomes softer in going from the surface to the substrate.

Equations of motion for anisotropic nonlinear elastic continuum in gravitational field

International Nuclear Information System (INIS)

Sokolov, S.N.

1994-01-01

Equations of motion for anisotropic nonlinear elastic continuum in the gravitational field are written in the form convenient for numerical calculations. The energy-stress tensor is expressed through scalar and tensor products of three vectors frozen in the continuum. Examples of expansion of the energy-stress tensor into scalar and tensor invariants corresponding to some crystal classes are given. 47 refs

Iron particle and anisotropic effects on mechanical properties of magneto-sensitive elastomers

Science.gov (United States)

Kumar, Vineet; Lee, Dong-Joo

2017-11-01

Rubber specimens were prepared by mixing micron-sized iron particles dispersed in room-temperature-vulcanized (RTV) silicone rubber by solution mixing. The possible correlations of the particle volume, size, and distribution with the mechanical properties of the specimens were examined. An isotropic mechanical test shows that at 60 phr, the elastic modulus was 3.29 MPa (electrolyte), 2.92 MPa (carbonyl), and 2.61 MPa (hybrid). The anisotropic effect was examined by curing the specimen under magnetic fields of 0.5-2.0 T at 90° relative to the applied strain. The measurements show anisotropic effects of 11% (carbonyl), 9% (electrolyte), and 6% (hybrid) at 40 phr and 1 T. At 80 phr, the polymer-filler compatibility factor (c-factor) was estimated using the Pythagorean theorem as 0.53 (regular) and 0.73 (anisotropic studies). The improved features could be useful in applications such as controlled damping, vibrational absorption, or automotive bushings.

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

Science.gov (United States)

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.

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

International Nuclear Information System (INIS)

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

2014-01-01

Anisotropic elasticity of single-crystal silicon, applications to modelling of a bent X-ray mirror, and thermal deformation of a liquid-nitrogen-cooled monochromator crystal are presented. The crystal lattice of single-crystal silicon gives rise to anisotropic elasticity. The stiffness and compliance coefficient matrix depend on crystal orientation and, consequently, Young’s modulus, the shear modulus and Poisson’s ratio as well. Computer codes (in Matlab and Python) have been developed to calculate these anisotropic elasticity parameters for a silicon crystal in any orientation. These codes facilitate the evaluation of these anisotropy effects in silicon for applications such as microelectronics, microelectromechanical systems and X-ray optics. For mechanically bent X-ray optics, it is shown that the silicon crystal orientation is an important factor which may significantly influence the optics design and manufacturing phase. Choosing the appropriate crystal orientation can both lead to improved performance whilst lowering mechanical bending stresses. The thermal deformation of the crystal depends on Poisson’s ratio. For an isotropic constant Poisson’s ratio, ν, the thermal deformation (RMS slope) is proportional to (1 + ν). For a cubic anisotropic material, the thermal deformation of the X-ray optics can be approximately simulated by using the average of ν 12 and ν 13 as an effective isotropic Poisson’s ratio, where the direction 1 is normal to the optic surface, and the directions 2 and 3 are two normal orthogonal directions parallel to the optical surface. This average is independent of the direction in the optical surface (the crystal plane) for Si(100), Si(110) and Si(111). Using the effective isotropic Poisson’s ratio for these orientations leads to an error in thermal deformation smaller than 5.5%

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

Energy Technology Data Exchange (ETDEWEB)

Zhang, Lin, E-mail: zhang@esrf.fr; Barrett, Raymond; Cloetens, Peter; Detlefs, Carsten; Sanchez del Rio, Manuel [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, BP 220, 38043 Grenoble (France)

2014-04-04

Anisotropic elasticity of single-crystal silicon, applications to modelling of a bent X-ray mirror, and thermal deformation of a liquid-nitrogen-cooled monochromator crystal are presented. The crystal lattice of single-crystal silicon gives rise to anisotropic elasticity. The stiffness and compliance coefficient matrix depend on crystal orientation and, consequently, Young’s modulus, the shear modulus and Poisson’s ratio as well. Computer codes (in Matlab and Python) have been developed to calculate these anisotropic elasticity parameters for a silicon crystal in any orientation. These codes facilitate the evaluation of these anisotropy effects in silicon for applications such as microelectronics, microelectromechanical systems and X-ray optics. For mechanically bent X-ray optics, it is shown that the silicon crystal orientation is an important factor which may significantly influence the optics design and manufacturing phase. Choosing the appropriate crystal orientation can both lead to improved performance whilst lowering mechanical bending stresses. The thermal deformation of the crystal depends on Poisson’s ratio. For an isotropic constant Poisson’s ratio, ν, the thermal deformation (RMS slope) is proportional to (1 + ν). For a cubic anisotropic material, the thermal deformation of the X-ray optics can be approximately simulated by using the average of ν{sub 12} and ν{sub 13} as an effective isotropic Poisson’s ratio, where the direction 1 is normal to the optic surface, and the directions 2 and 3 are two normal orthogonal directions parallel to the optical surface. This average is independent of the direction in the optical surface (the crystal plane) for Si(100), Si(110) and Si(111). Using the effective isotropic Poisson’s ratio for these orientations leads to an error in thermal deformation smaller than 5.5%.

Adaptation of generalized Hill inequalities to anisotropic elastic ...

African Journals Online (AJOL)

user

Thallium manganese chloride(TIMnCl 3 ). 101.4. 16.5. 32.2. 5.2 For Isotropic Media. For some materials, it is possible to make approaches from cubic symmetry to isotropic symmetry. With cubic symmetry, three independent elastic constants are needed. If the medium is elastically isotropic, the elastic properties are ...

Anisotropic chemical strain in cubic ceria due to oxygen-vacancy-induced elastic dipoles.

Science.gov (United States)

Das, Tridip; Nicholas, Jason D; Sheldon, Brian W; Qi, Yue

2018-06-06

Accurate characterization of chemical strain is required to study a broad range of chemical-mechanical coupling phenomena. One of the most studied mechano-chemically active oxides, nonstoichiometric ceria (CeO2-δ), has only been described by a scalar chemical strain assuming isotropic deformation. However, combined density functional theory (DFT) calculations and elastic dipole tensor theory reveal that both the short-range bond distortions surrounding an oxygen-vacancy and the long-range chemical strain are anisotropic in cubic CeO2-δ. The origin of this anisotropy is the charge disproportionation between the four cerium atoms around each oxygen-vacancy (two become Ce3+ and two become Ce4+) when a neutral oxygen-vacancy is formed. Around the oxygen-vacancy, six of the Ce3+-O bonds elongate, one of the Ce3+-O bond shorten, and all seven of the Ce4+-O bonds shorten. Further, the average and maximum chemical strain values obtained through tensor analysis successfully bound the various experimental data. Lastly, the anisotropic, oxygen-vacancy-elastic-dipole induced chemical strain is polarizable, which provides a physical model for the giant electrostriction recently discovered in doped and non-doped CeO2-δ. Together, this work highlights the need to consider anisotropic tensors when calculating the chemical strain induced by dilute point defects in all materials, regardless of their symmetry.

Anisotropic nanomaterials preparation, properties, and applications

CERN Document Server

Li, Quan

2015-01-01

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

Physical Principles Pertaining to Ultrasonic and Mechanical Properties of Anisotropic Media and Their Application to Nondestructive Evaluation of Fiber-Reinforced Composite Materials

Science.gov (United States)

Handley, Scott Michael

The central theme of this thesis is to contribute to the physics underlying the mechanical properties of highly anisotropic materials. Our hypothesis is that a fundamental understanding of the physics involved in the interaction of interrogating ultrasonic waves with anisotropic media will provide useful information applicable to quantitative ultrasonic measurement techniques employed for the determination of material properties. Fiber-reinforced plastics represent a class of advanced composite materials that exhibit substantial anisotropy. The desired characteristics of practical fiber -reinforced composites depend on average mechanical properties achieved by placing fibers at specific angles relative to the external surfaces of the finished part. We examine the physics underlying the use of ultrasound as an interrogation probe for determination of ultrasonic and mechanical properties of anisotropic materials such as fiber-reinforced composites. Fundamental constituent parameters, such as elastic stiffness coefficients (c_{rm IJ}), are experimentally determined from ultrasonic time-of-flight measurements. Mechanical moduli (Poisson's ratio, Young's and shear modulus) descriptive of the anisotropic mechanical properties of unidirectional graphite/epoxy composites are obtained from the ultrasonically determined stiffness coefficients. Three-dimensional visualizations of the anisotropic ultrasonic and mechanical properties of unidirectional graphite/epoxy composites are generated. A related goal of the research is to strengthen the connection-between practical ultrasonic nondestructive evaluation methods and the physics underlying quantitative ultrasonic measurements for the assessment of manufactured fiber-reinforced composites. Production defects such as porosity have proven to be of substantial concern in the manufacturing of composites. We investigate the applicability of ultrasonic interrogation techniques for the detection and characterization of porosity in

Micro-CT based finite element models for elastic properties of glass-ceramic scaffolds.

Science.gov (United States)

Tagliabue, Stefano; Rossi, Erica; Baino, Francesco; Vitale-Brovarone, Chiara; Gastaldi, Dario; Vena, Pasquale

2017-01-01

In this study, the mechanical properties of porous glass-ceramic scaffolds are investigated by means of three-dimensional finite element models based on micro-computed tomography (micro-CT) scan data. In particular, the quantitative relationship between the morpho-architectural features of the obtained scaffolds, such as macroscopic porosity and strut thickness, and elastic properties, is sought. The macroscopic elastic properties of the scaffolds have been obtained through numerical homogenization approaches using the mechanical characteristics of the solid walls of the scaffolds (assessed through nanoindentation) as input parameters for the numerical simulations. Anisotropic mechanical properties of the produced scaffolds have also been investigated by defining a suitable anisotropy index. A comparison with morphological data obtained through the micro-CT scans is also presented. The proposed study shows that the produced glass-ceramic scaffolds exhibited a macroscopic porosity ranging between 29% and 97% which corresponds to an average stiffness ranging between 42.4GPa and 36MPa. A quantitative estimation of the isotropy of the macroscopic elastic properties has been performed showing that the samples with higher solid fractions were those closest to an isotropic material. Copyright © 2016 Elsevier Ltd. All rights reserved.

A micromechanical constitutive model for anisotropic cyclic deformation of super-elastic NiTi shape memory alloy single crystals

Science.gov (United States)

Yu, Chao; Kang, Guozheng; Kan, Qianhua

2015-09-01

Based on the experimental observations on the anisotropic cyclic deformation of super-elastic NiTi shape memory alloy single crystals done by Gall and Maier (2002), a crystal plasticity based micromechanical constitutive model is constructed to describe such anisotropic cyclic deformation. To model the internal stress caused by the unmatched inelastic deformation between the austenite and martensite phases on the plastic deformation of austenite phase, 24 induced martensite variants are assumed to be ellipsoidal inclusions with anisotropic elasticity and embedded in the austenite matrix. The homogeneous stress fields in the austenite matrix and each induced martensite variant are obtained by using the Mori-Tanaka homogenization method. Two different inelastic mechanisms, i.e., martensite transformation and transformation-induced plasticity, and their interactions are considered in the proposed model. Following the assumption of instantaneous domain growth (Cherkaoui et al., 1998), the Helmholtz free energy of a representative volume element of a NiTi shape memory single crystal is established and the thermodynamic driving forces of the internal variables are obtained from the dissipative inequalities. The capability of the proposed model to describe the anisotropic cyclic deformation of super-elastic NiTi single crystals is first verified by comparing the predicted results with the experimental ones. It is concluded that the proposed model can capture the main quantitative features observed in the experiments. And then, the proposed model is further used to predict the uniaxial and multiaxial transformation ratchetting of a NiTi single crystal.

Multiparameter Elastic Full Waveform Inversion With Facies Constraints

KAUST Repository

Zhang, Zhendong

2017-08-17

Full waveform inversion (FWI) aims fully benefit from all the data characteristics to estimate the parameters describing the assumed physics of the subsurface. However, current efforts to utilize full waveform inversion as a tool beyond acoustic imaging applications, for example in reservoir analysis, faces inherent challenges related to the limited resolution and the potential trade-off between the elastic model parameters. Adding rock physics constraints does help to mitigate these issues, but current approaches to add such constraints are based on including them as a priori knowledge mostly valid around the well or as a boundary condition for the whole area. Since certain rock formations inside the Earth admit consistent elastic properties and relative values of elastic and anisotropic parameters (facies), utilizing such localized facies information in FWI can improve the resolution of inverted parameters. We propose a novel confidence map based approach to utilize the facies-based constraints in both isotropic and anisotropic elastic FWI. We invert for such a confidence map using Bayesian theory, in which the confidence map is updated at each iteration of the inversion using both the inverted models and a prior information. The numerical examples show that the proposed method can reduce the trade-offs and also can improve the resolution of the inverted elastic and anisotropic properties.

Anisotropic propagation imaging of elastic waves in oriented columnar thin films

Science.gov (United States)

Coffy, E.; Dodane, G.; Euphrasie, S.; Mosset, A.; Vairac, P.; Martin, N.; Baida, H.; Rampnoux, J. M.; Dilhaire, S.

2017-12-01

We report on the observation of strongly anisotropic surface acoustic wave propagation on nanostructured thin films. Two kinds of tungsten samples were prepared by sputtering on a silicon substrate: a conventional thin film with columns normal to the substrate surface, and an oriented columnar architecture using the glancing angle deposition (GLAD) process. Pseudo-Rayleigh waves (PRWs) were imaged as a function of time in x and y directions for both films thanks to a femtosecond heterodyne pump-probe setup. A strong anisotropic propagation as well as a high velocity reduction of the PRWs were exhibited for the GLAD sample. For the wavevector k/2π  =  3  ×  105 m-1 the measured group velocities v x and v y equal 2220 m s-1 for the sample prepared with conventional sputtering, whereas a strong anisotropy appears (v x   =  1600 m s-1 and v y   =  870 m s-1) for the sample prepared with the GLAD process. Using the finite element method, the anisotropy is related to the structural anisotropy of the thin film’s architecture. The drop of PRWs group velocities is mainly assigned to the porous microstructure, especially favored by atomic shadowing effects which appear during the growth of the inclined columns. Such GLAD thin films constitute a new tool for the control of the propagation of surface elastic waves and for the design of new devices with useful properties.

Electrostatic flocking of chitosan fibres leads to highly porous, elastic and fully biodegradable anisotropic scaffolds.

Science.gov (United States)

Gossla, Elke; Tonndorf, Robert; Bernhardt, Anne; Kirsten, Martin; Hund, Rolf-Dieter; Aibibu, Dilibar; Cherif, Chokri; Gelinsky, Michael

2016-10-15

Electrostatic flocking - a common textile technology which has been applied in industry for decades - is based on the deposition of short polymer fibres in a parallel aligned fashion on flat or curved substrates, covered with a layer of a suitable adhesive. Due to their highly anisotropic properties the resulting velvet-like structures can be utilised as scaffolds for tissue engineering applications in which the space between the fibres can be defined as pores. In the present study we have developed a fully resorbable compression elastic flock scaffold from a single material system based on chitosan. The fibres and the resulting scaffolds were analysed concerning their structural and mechanical properties and the biocompatibility was tested in vitro. The tensile strength and Young's modulus of the chitosan fibres were analysed as a function of the applied sterilisation technique (ethanol, supercritical carbon dioxide, γ-irradiation and autoclaving). All sterilisation methods decreased the Young's modulus (from 14GPa to 6-12GPa). The tensile strength was decreased after all treatments - except after the autoclaving of chitosan fibres submerged in water. Compressive strength of the highly porous flock scaffolds was 18±6kPa with a elastic modulus in the range of 50-100kPa. The flocked scaffolds did not show any cytotoxic effect during indirect or direct culture of human mesenchymal stem cells or the sarcoma osteogenic cell line Saos-2. Furthermore cell adhesion and proliferation of both cell types could be observed. This is the first demonstration of a fully biodegradable scaffold manufactured by electrostatic flocking. Most tissues possess anisotropic fibrous structures. In contrast, most of the commonly used scaffolds have an isotropic morphology. By utilising the textile technology of electrostatic flocking, highly porous and clearly anisotropic scaffolds can be manufactured. Flocking leads to parallel aligned short fibres, glued on the surface of a substrate

Effective stress law for anisotropic elastic deformation

International Nuclear Information System (INIS)

Carroll, M.M.

1979-01-01

An effective stress law is derived analytically to describe the effect of pore fluid pressure on the linearly elastic response of saturated porous rocks which exhibit anisotropy. For general anisotropy the difference between the effective stress and the applied stress is not hydrostatic. The effective stress law involves two constants for transversely isotropic response and three constants for orthotropic response; these constants can be expressed in terms of the moduli of the porous material and of the solid material. These expressions simplify considerably when the anisotropy is structural rather than intrinsic, i.e., in the case of an isotropic solid material with an anisotropic pore structure. In this case the effective stress law involves the solid or grain bulk modulus and two or three moduli of the porous material, for transverse isotropy and orthotropy, respectively. The law reduces, in the case of isotropic response, to that suggested by Geertsma (1957) and by Skempton (1961) and derived analytically by Nur and Byerlee

Anisotropy in elastic properties of TiSi2 (C49, C40 and C54), TiSi and Ti5Si3: an ab-initio density functional study

International Nuclear Information System (INIS)

Niranjan, Manish K

2015-01-01

We present a comparative study of the anisotropy in the elastic properties of the C49, C54 and C40 phases of TiSi 2 , as well as orthorhombic TiSi and hexagonal Ti 5 Si 3 . The elastic constants, elastic moduli, Debye temperature and sound velocities are computed within the framework of density functional theory. The computed values of the elastic constants and moduli are found to be in excellent agreement with available experimental values. The average elastic moduli, such as Young’s modulus, shear modulus, bulk modulus and Poisson’s ratio, of polycrystalline aggregates are computed using the computed elastic constants of single crystals. The anisotropy in elastic properties is analyzed using estimates of shear anisotropic factors, bulk modulus anisotropic factors and variations in Young’s and bulk moduli in different crystallographic directions. Among the Ti–Si phases, the computed directional Young’s modulus profiles of C49 TiSi 2 and C40 TiSi 2 are found to be quite similar to those of bulk Si and Ti, respectively. In addition to the elastic properties, the electronic structure of five Ti–Si phases is studied. The density of states and planar charge density profiles reveal mixed covalent–metallic bonding in all Ti–Si phases. (paper)

First-principles investigations on structural, elastic and mechanical properties of BNxAs1‑x ternary alloys

Science.gov (United States)

Zhang, Junqin; Ma, Huihui; Zhao, Bin; Wei, Qun; Yang, Yintang

2018-05-01

A systematic investigation of the structural optimization, elastic and mechanical properties of the BNxAs1‑x ternary alloys are reported in the present work using the density-functional theory with the generalized gradient approximation (GGA) of the exchange-correlation functional. Some of the constants which are used to analyze the properties including elastic constants and modulus, and some parameters describing the elastic anisotropy and Debye temperature are also calculated. Our calculations were performed to evaluate the equilibrium lattice constant and band structure compared with the available theoretical works. On the one hand, our results might be expected to provide a theoretical basis for future study of BNxAs1‑x alloys towards elastic or mechanical properties. On the other hand, we draw a conclusion that BNxAs1‑x alloys show direct bandgap when x equals 0.25, 0.5 or 0.75. We obtained the elastic modulus, Poisson’s ratio and universal anisotropic index which are used to demonstrate the elastic anisotropy of these alloys which is proved according to our calculations. Also, we calculated the Debye temperature to illustrate covalent interactions and obtained the lower limit of the thermal conductivity for further research.

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

Directory of Open Access Journals (Sweden)

Mihai-Victor PRICOP

2010-09-01

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

Investigation on the elastic properties of Gd-Sc-Al garnet by the Mandelstam-Brillouin light scattering method

International Nuclear Information System (INIS)

Zharikov, E.V.; Zagumennyj, A.I.; Kitaeva, V.F.; Lutts, G.B.; Terskov, D.B.

1991-01-01

The Gd-Sc-Al garnet (GSAG) crystals grown from the melt with composition Gd 2.88 Sc 1.89 Al 3.23 O 12 , were investigated. The GSAG doped with chromium was also studied. The Mandelstam-Brillouin (MB) light scattering in the GSAG crystals was observed. The garnet elastic components were determined using the data on the MB component shifts, the products of the elastic constants by molar volume were calculated as well. The GSAG is elastically anisotropic. The doping addition introduction do not cause noticeable change in the elastic properties. The obtained values of elastic constants and their combinations for GSAG were compared with the data for aluminium and gallium garnets. The comparison has shown that the values of elastic constants for GSAG is closer to those for Gd-Sc-Ga garnet than to the corresponding values for the Y-Al one

Elasticity of Tantalum to 105 Gpa using a stress and angle-resolved x-ray diffraction

International Nuclear Information System (INIS)

Cynn, H; Yoo, C S

1999-01-01

Determining the mechanical properties such as elastic constants of metals at Mbar pressures has been a difficult task in experiment. Following the development of anisotropic elastic theory by Singh et al.[l], Mao et a1.[2] have recently developed a novel experimental technique to determine the elastic constants of Fe by using the stress and energy-dispersive x-ray diffraction (SEX). In this paper, we present an improved complementary technique, stress and angle-resolved x-ray diffraction (SAX), which we have applied to determine the elastic constants of tantalum to 105 GPa. The extrapolation of the tantalum elastic data shows an excellent agreement with the low-pressure ultrasonic data[3]. We also discuss the improvement of this SAX method over the previous SEX.[elastic constant, anisotropic elastic theory, angle-dispersive synchrotron x-ray diffraction, mechanical properties

Anisotropic surface chemistry properties and adsorption behavior of silicate mineral crystals.

Science.gov (United States)

Xu, Longhua; Tian, Jia; Wu, Houqin; Fang, Shuai; Lu, Zhongyuan; Ma, Caifeng; Sun, Wei; Hu, Yuehua

2018-03-07

Anisotropic surface properties of minerals play an important role in a variety of fields. With a focus on the two most intensively investigated silicate minerals (i.e., phyllosilicate minerals and pegmatite aluminosilicate minerals), this review highlights the research on their anisotropic surface properties based on their crystal structures. Four surface features comprise the anisotropic surface chemistry of minerals: broken bonds, energy, wettability, and charge. Analysis of surface broken bond and energy anisotropy helps to explain the cleavage and growth properties of mineral crystals, and understanding surface wettability and charge anisotropy is critical to the analysis of minerals' solution behavior, such as their flotation performance and rheological properties. In a specific reaction, the anisotropic surface properties of minerals are reflected in the adsorption strengths of reagents on different mineral surfaces. Combined with the knowledge of mineral crushing and grinding, a thorough understanding of the anisotropic surface chemistry properties and the anisotropic adsorption behavior of minerals will lead to the development of effective relational models comprising their crystal structure, surface chemistry properties, and targeted reagent adsorption. Overall, such a comprehensive approach is expected to firmly establish the connection between selective cleavage of mineral crystals for desired surfaces and designing novel reagents selectively adsorbed on the mineral surfaces. As tools to characterize the anisotropic surface chemistry properties of minerals, DLVO theory, atomic force microscopy (AFM), and molecular dynamics (MD) simulations are also reviewed. Copyright © 2017 Elsevier B.V. All rights reserved.

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

International Nuclear Information System (INIS)

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

2012-01-01

The structural stability and the elastic properties of a novel structure of lead titanate, which is named pre- perovskite PbTiO 3 (PP-PTO) and is constructed with TiO 6 octahedral columns arranged in a one-dimensional manner, are investigated by using first-principles calculations. PP-PTO is energetically unstable compared with conventional perovskite phases, however it is mechanically stable. The equilibrium transition pressures for changing from pre- perovskite to cubic and tetragonal phases are −0.5 GPa and −1.4 GPa, respectively, with first-order characteristics. Further, the differences in elastic properties between pre-perovskite and conventional perovskite phases are discussed for the covalent bonding network, which shows a highly anisotropic character in PP-PTO. This study provides a crucial insight into the structural stabilities of PP-PTO and conventional perovskite. (condensed matter: structural, mechanical, and thermal properties)

Anisotropic Ripple Deformation in Phosphorene.

Science.gov (United States)

Kou, Liangzhi; Ma, Yandong; Smith, Sean C; Chen, Changfeng

2015-05-07

Two-dimensional materials tend to become crumpled according to the Mermin-Wagner theorem, and the resulting ripple deformation may significantly influence electronic properties as observed in graphene and MoS2. Here, we unveil by first-principles calculations a new, highly anisotropic ripple pattern in phosphorene, a monolayer black phosphorus, where compression-induced ripple deformation occurs only along the zigzag direction in the strain range up to 10%, but not the armchair direction. This direction-selective ripple deformation mode in phosphorene stems from its puckered structure with coupled hinge-like bonding configurations and the resulting anisotropic Poisson ratio. We also construct an analytical model using classical elasticity theory for ripple deformation in phosphorene under arbitrary strain. The present results offer new insights into the mechanisms governing the structural and electronic properties of phosphorene crucial to its device applications.

Study of anisotropic mechanical properties for aeronautical PMMA

Directory of Open Access Journals (Sweden)

Wei Shang

Full Text Available For the properties of polymer are relative to its structure, the main purpose of the present work is to investigate the mechanical properties of the aeronautical PMMA which has been treated by the directional tensile technology. Isodyne images reveal the stress state in directional PMMA. And then, an anisotropic mechanical model is established. Furthermore, all mechanical parameters are measured by the digital image correlation method. Finally, based on the anisotropic mechanical model and mechanical parameters, the FEM numerical simulation and experimental methods are applied to analyze the fracture mechanical properties along different directions.

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

KAUST Repository

Cheng, Jiubing; Alkhalifah, Tariq Ali; Wu, Zedong; Zou, Peng; Wang, Chenlong

2016-01-01

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

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

KAUST Repository

Cheng, Jiubing

2016-03-15

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

Effect of anisotropic plasticity on mixed mode interface crack growth

DEFF Research Database (Denmark)

Tvergaard, Viggo; Legarth, Brian Nyvang

2007-01-01

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

Elastic and piezoelectric fields around a quantum wire of zincblende heterostructures with interface elasticity effect

Science.gov (United States)

Ye, Wei; Liu, Yifei

2018-04-01

This work formulates the solutions to the elastic and piezoelectric fields around a quantum wire (QWR) with interface elasticity effect. Closed-form solutions to the piezoelectric potential field of zincblende QWR/matrix heterostructures grown along [111] crystallographic orientation are found and numerical results of InAs/InP heterostructures are provided as an example. The piezoelectric potential in the matrix depends on the interface elasticity, the radius and stiffness of the QWR. Our results indicate that interface elasticity can significantly alter the elastic and piezoelectric fields near the interface. Additionally, when the elastic property of the QWR is considered to be anisotropic in contrary to the common isotropic assumption, piezoelectric potentials are found to be distinct near the interface, but the deviations are negligible at positions far away from the interface.

An anisotropic linear thermo-viscoelastic constitutive law - Elastic relaxation and thermal expansion creep in the time domain

Science.gov (United States)

Pettermann, Heinz E.; DeSimone, Antonio

2017-09-01

A constitutive material law for linear thermo-viscoelasticity in the time domain is presented. The time-dependent relaxation formulation is given for full anisotropy, i.e., both the elastic and the viscous properties are anisotropic. Thereby, each element of the relaxation tensor is described by its own and independent Prony series expansion. Exceeding common viscoelasticity, time-dependent thermal expansion relaxation/creep is treated as inherent material behavior. The pertinent equations are derived and an incremental, implicit time integration scheme is presented. The developments are implemented into an implicit FEM software for orthotropic material symmetry under plane stress assumption. Even if this is a reduced problem, all essential features are present and allow for the entire verification and validation of the approach. Various simulations on isotropic and orthotropic problems are carried out to demonstrate the material behavior under investigation.

A new technique for generating the isotropic and linearly anisotropic components of elastic and discrete inelastic transfer matrices

International Nuclear Information System (INIS)

Garcia, R.D.M.

1984-01-01

A new technique for generating the isotropic and linearly anisotropic componets of elastic and discrete inelastic transfer matrices is proposed. The technique allows certain angular integrals to be expressed in terms of functions that can be computed by recursion relations or series expansions alternatively to the use of numerical quadratures. (Author) [pt

Timoshenko beam element with anisotropic cross-sectional properties

DEFF Research Database (Denmark)

Stäblein, Alexander; Hansen, Morten Hartvig

2016-01-01

Beam models are used for the aeroelastic time and frequency domain analysis of wind turbines due to their computational efficiency. Many current aeroelastic tools for the analysis of wind turbines rely on Timoshenko beam elements with classical crosssectional properties (EA, EI, etc.). Those cross......-sectional properties do not reflect the various couplings arising from the anisotropic behaviour of the blade material. A twonoded, three-dimensional Timoshenko beam element was therefore extended to allow for anisotropic cross-sectional properties. For an uncoupled beam, the resulting shape functions are identical...... to the original formulation. The new element was implemented into a co-rotational formulation and validated against natural frequencies and several static load cases of previous works....

Anisotropic properties of aligned SWNT modified poly (methyl ...

Indian Academy of Sciences (India)

The electrical and mechanical properties of PMMA/SWNT composite were studied as a function of SWNT orientation and concentration. The aligned SWNT modified PMMA/SWNT composite presented highly anisotropic properties. The experimental results showed that the electrical conductivity and mechanical properties of ...

A thin two-phase foils deformed by an interfacial dislocation in anisotropic elasticity

Directory of Open Access Journals (Sweden)

Madani, Salah

2005-04-01

Full Text Available The purpose of this work is the numerical resolution, in the case of anisotropic elasticity, of the problem of a dislocation parallel and near to the two free surfaces of a thin bicrystal. This case is obtained while making the period of a network of misfit dislocations much greater than the thickness of the two foils. As a result, in the vicinity of the dislocation, the limiting bondary conditions will be close to that of Volterra translation dislocation. The elastic fields of displacement and stress are calculated for various orientations of the burgers vector. Before this calculation, we tested the precision of the results of the program by comparing the interfacial relative displacement obtained from this one to the results of the analytical expression describing this same displacement. The thin bicristal Al/Al2Cu, that made the object of several investigations, is treated like example. The results obtained are compared to those obtained in isotropic elasticity.

Este trabajo aborda la resolución numérica en anisotropía elástica, del problema de una dislocación paralela cercana a las superficies libres de un bi-cristal delgado. Este problema se genera cuando el periodo de la red de dislocaciones desplazadas es mucho mayor que el espesor de la bi-lámina. Como resultados, en la vecindad de la dislocación, las condiciones de contorno estarán cercanas a la dislocación de traslación de Volterra. Los campos elásticos de desplazamiento y las tensiones se calcularon para distintas orientaciones del vector de burgers. Como paso previo a los cálculos, se comprobó la precisión de los resultados del programa comparando le desplazamiento relativo interracial obtenido con los resultados de la expresión analítica que describen dicho desplazamiento. Se emplearon como ejemplo bi-cristales de Al/Al2Cu, debido a su empleo en varias investigaciones. Los resultados fueron comparados con los obtenidos en elasticidad isótropa.

Anisotropic light scattering of individual sickle red blood cells.

Science.gov (United States)

Kim, Youngchan; Higgins, John M; Dasari, Ramachandra R; Suresh, Subra; Park, YongKeun

2012-04-01

We present the anisotropic light scattering of individual red blood cells (RBCs) from a patient with sickle cell disease (SCD). To measure light scattering spectra along two independent axes of elongated-shaped sickle RBCs with arbitrary orientation, we introduce the anisotropic Fourier transform light scattering (aFTLS) technique and measured both the static and dynamic anisotropic light scattering. We observed strong anisotropy in light scattering patterns of elongated-shaped sickle RBCs along its major axes using static aFTLS. Dynamic aFTLS analysis reveals the significantly altered biophysical properties in individual sickle RBCs. These results provide evidence that effective viscosity and elasticity of sickle RBCs are significantly different from those of the healthy RBCs.

Directional anisotropy, finite size effect and elastic properties of hexagonal boron nitride

International Nuclear Information System (INIS)

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

2016-01-01

Classical molecular dynamics simulations have been performed to analyze the elastic and mechanical properties of two-dimensional (2D) hexagonal boron nitride (h-BN) using a Tersoff-type interatomic empirical potential. We present a systematic study of h-BN for various system sizes. Young’s modulus and Poisson’s ratio are found to be anisotropic for finite sheets whereas they are isotropic for the infinite sheet. Both of them increase with system size in accordance with a power law. It is concluded from the computed values of elastic constants that h-BN sheets, finite or infinite, satisfy Born’s criterion for mechanical stability. Due to the the strong in-plane sp 2 bonds and the small mass of boron and nitrogen atoms, h-BN possesses high longitudinal and shear velocities. The variation of bending rigidity with system size is calculated using the Foppl–von Karman approach by coupling the in-plane bending and out-of-plane stretching modes of the 2D h-BN. (paper)

In Situ elastic property sensors

International Nuclear Information System (INIS)

Olness, D.; Hirschfeld, T.; Kishiyama, K.; Steinhaus, R.

1987-01-01

Elasticity is an important property of many materials. Loss of elasticity can have serious consequences, such as when a gasket deteriorates and permits leakage of an expensive or hazardous material, or when a damping system begins to go awry. Loss of elasticity can also provide information related to an ancillary activity such as degradation of electrical insulation, loss of plasticizer in a plastic, or changes in permeability of a thin film. In fact, the mechanical properties of most organic compounds are altered when the compound degrades. Thus, a sensor for the mechanical properties can be used to monitor associated characteristics as well. A piezoelectric material in contact with an elastomer forms an oscillating system that can provide real-time elasticity monitoring. This combination constitutes a forced harmonic oscillator with damping provided by the elastomer. A ceramic oscillator with a total volume of a few mm 3 was used as an elasticity sensor. It was placed in intimate contact with an elastomer and then monitored remotely with a simple oscillator circuit and standard frequency counting electronics. Resonant frequency shifts and changes in Q value were observed corresponding to changes in ambient temperature and/or changes in pressure applied to the sample. Elastomer samples pretreated with ozone (to simulate aging) showed changes in Q value and frequency response, even though there were no visible changes in the elastic samples

Phase stability, electronic, elastic and thermodynamic properties of Al-RE intermetallics in Mg-Al-RE alloy: A first principles study

Directory of Open Access Journals (Sweden)

H.L. Chen

2015-09-01

Full Text Available Electronic structure and elastic properties of Al2Y, Al3Y, Al2Gd and Al3Gd phases were investigated by means of first-principles calculations from CASTEP program based on density functional theory (DFT. The ground state energy and elastic constants of each phase were calculated, the formation enthalpy (ΔH, bulk modulus (B, shear modulus (G, Young's modulus (E, Poisson's ratio (ν and anisotropic coefficient (A were derived. The formation enthalpy shows that Al2RE is more stable than Al3RE, and Al-Y intermetallics have stronger phase stability than Al-Gd intermetallics. The calculated mechanical properties indicate that all these four intermetallics are strong and hard brittle phases, it may lead to the similar performance when deforming due to their similar elastic constants. The total and partial electron density of states (DOS, Mulliken population and metallicity were calculated to analyze the electron structure and bonding characteristics of the phases. Finally, phonon calculation was conducted, and the thermodynamic properties were obtained and further discussed.

Layered Black Phosphorus: Strongly Anisotropic Magnetic, Electronic, and Electron-Transfer Properties.

Science.gov (United States)

Sofer, Zdeněk; Sedmidubský, David; Huber, Štěpán; Luxa, Jan; Bouša, Daniel; Boothroyd, Chris; Pumera, Martin

2016-03-01

Layered elemental materials, such as black phosphorus, exhibit unique properties originating from their highly anisotropic layered structure. The results presented herein demonstrate an anomalous anisotropy for the electrical, magnetic, and electrochemical properties of black phosphorus. It is shown that heterogeneous electron transfer from black phosphorus to outer- and inner-sphere molecular probes is highly anisotropic. The electron-transfer rates differ at the basal and edge planes. These unusual properties were interpreted by means of calculations, manifesting the metallic character of the edge planes as compared to the semiconducting properties of the basal plane. This indicates that black phosphorus belongs to a group of materials known as topological insulators. Consequently, these effects render the magnetic properties highly anisotropic, as both diamagnetic and paramagnetic behavior can be observed depending on the orientation in the magnetic field. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Anisotropic mass density by two-dimensional acoustic metamaterials

Energy Technology Data Exchange (ETDEWEB)

Torrent, Daniel; Sanchez-Dehesa, Jose [Wave Phenomena Group, Department of Electronic Engineering, Polytechnic University of Valencia, C/Camino de Vera s/n, E-46022 Valencia (Spain)], E-mail: jsdehesa@upvnet.upv.es

2008-02-15

We show that specially designed two-dimensional arrangements of full elastic cylinders embedded in a nonviscous fluid or gas define (in the homogenization limit) a new class of acoustic metamaterials characterized by a dynamical effective mass density that is anisotropic. Here, analytic expressions for the dynamical mass density and the effective sound velocity tensors are derived in the long wavelength limit. Both show an explicit dependence on the lattice filling fraction, the elastic properties of cylinders relative to the background, their positions in the unit cell, and their multiple scattering interactions. Several examples of these metamaterials are reported and discussed.

Structural, elastic, mechanical and thermodynamic properties of Terbium oxide: First-principles investigations

Directory of Open Access Journals (Sweden)

Samah Al-Qaisi

Full Text Available First-principles investigations of the Terbium oxide TbO are performed on structural, elastic, mechanical and thermodynamic properties. The investigations are accomplished by employing full potential augmented plane wave FP-LAPW method framed within density functional theory DFT as implemented in the WIEN2k package. The exchange-correlation energy functional, a part of the total energy functional, is treated through Perdew Burke Ernzerhof scheme of the Generalized Gradient Approximation PBEGGA. The calculations of the ground state structural parameters, like lattice constants a0, bulk moduli B and their pressure derivative B′ values, are done for the rock-salt RS, zinc-blende ZB, cesium chloride CsCl, wurtzite WZ and nickel arsenide NiAs polymorphs of the TbO compound. The elastic constants (C11, C12, C13, C33, and C44 and mechanical properties (Young’s modulus Y, Shear modulus S, Poisson’s ratio σ, Anisotropic ratio A and compressibility β, were also calculated to comprehend its potential for valuable applications. From our calculations, the RS phase of TbO compound was found strongest one mechanically amongst the studied cubic structures whereas from hexagonal phases, the NiAs type structure was found stronger than WZ phase of the TbO. To analyze the ductility of the different structures of the TbO, Pugh’s rule (B/SH and Cauchy pressure (C12–C44 approaches are used. It was found that ZB, CsCl and WZ type structures of the TbO were of ductile nature with the obvious dominance of the ionic bonding while RS and NiAs structures exhibited brittle nature with the covalent bonding dominance. Moreover, Debye temperature was calculated for both cubic and hexagonal structures of TbO in question by averaging the computed sound velocities. Keywords: DFT, TbO, Elastic properties, Thermodynamic properties

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

Science.gov (United States)

Boyd, O.S.

2006-01-01

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

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

Science.gov (United States)

Muhlestein, Michael B; Haberman, Michael R

2016-08-01

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

An anisotropic elastoplasticity model implemented in FLAG

Energy Technology Data Exchange (ETDEWEB)

Buechler, Miles Allen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Canfield, Thomas R. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-10-12

Many metals, including Tantalum and Zirconium, exhibit anisotropic elastoplastic behavior at the single crystal level, and if components are manufactured from these metals through forming processes the polycrystal (component) may also exhibit anisotropic elastoplastic behavior. This is because the forming can induce a preferential orientation of the crystals in the polycrystal. One example is a rolled plate of Uranium where the sti /strong orientation of the crystal (c-axis) tends to align itself perpendicular to the rolling direction. If loads are applied to this plate in di erent orientations the sti ness as well as the ow strength of the material will be greater in the through thickness direction than in other directions. To better accommodate simulations of such materials, an anisotropic elastoplasticity model has been implemented in FLAG. The model includes an anisotropic elastic stress model as well as an anisotropic plasticity model. The model could represent single crystals of any symmetry, though it should not be confused with a high- delity crystal plasticity model with multiple slip planes and evolutions. The model is most appropriate for homogenized polycrystalline materials. Elastic rotation of the material due to deformation is captured, so the anisotropic models are appropriate for arbitrary large rotations, but currently they do not account for signi cant change in material texture beyond the elastic rotation of the entire polycrystal.

First-principle calculations of the electronic, optical and elastic properties of ZnSiP2 semiconductor

International Nuclear Information System (INIS)

Kumar, V.; Tripathy, S.K.

2014-01-01

Highlights: • Optical properties of ZnSiP 2 studied under different pressure for stable structure. • Birefringence has been calculated at different wavelengths. • Lattice constants, ħω p , bulk modulus and its derivative have been calculated. • C ij , Y, υ and Zener anisotropic factor have also been estimated. • Our calculated values are relative more close to the experimental values. -- Abstract: The plane wave pseudo-potential method within density functional theory (DFT) has been used to investigate the structural, electronic, optical and elastic properties of ZnSiP 2 chalcopyrite semiconductor. The lattice constants are calculated from the optimized unit cells and compare with the experimental value. The band structure, total density of states (TDOS) and partial density of states (PDOS) have been discussed. The energy gap has been calculated along the Γ direction found to be 1.383 eV, which shows that ZnSiP 2 is pseudo-direct in nature. We have also analyzed the frequency dependent dielectric constant ε(ω) and calculated the birefringence (Δn). The optical properties under three different hydrostatic pressures of 0 GPa, 10 GPa and 20 GPa have been described for the first time in the energy range 0–20 eV. The values of bulk modulus (B), pressure derivative of bulk modulus (B ∗ ), elastic constants (C ij ), Young’s modulus (Y), anisotropic factor (A) and Poisson’s ratio (ν) have been calculated. The calculated values of all above parameters are compared with the available experimental values and the values reported by different workers. A fairly good agreement has been found between them

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-12-01

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

New methodology for mechanical characterization of human superficial facial tissue anisotropic behaviour in vivo.

Science.gov (United States)

Then, C; Stassen, B; Depta, K; Silber, G

2017-07-01

Mechanical characterization of human superficial facial tissue has important applications in biomedical science, computer assisted forensics, graphics, and consumer goods development. Specifically, the latter may include facial hair removal devices. Predictive accuracy of numerical models and their ability to elucidate biomechanically relevant questions depends on the acquisition of experimental data and mechanical tissue behavior representation. Anisotropic viscoelastic behavioral characterization of human facial tissue, deformed in vivo with finite strain, however, is sparse. Employing an experimental-numerical approach, a procedure is presented to evaluate multidirectional tensile properties of superficial tissue layers of the face in vivo. Specifically, in addition to stress relaxation, displacement-controlled multi-step ramp-and-hold protocols were performed to separate elastic from inelastic properties. For numerical representation, an anisotropic hyperelastic material model in conjunction with a time domain linear viscoelasticity formulation with Prony series was employed. Model parameters were inversely derived, employing finite element models, using multi-criteria optimization. The methodology provides insight into mechanical superficial facial tissue properties. Experimental data shows pronounced anisotropy, especially with large strain. The stress relaxation rate does not depend on the loading direction, but is strain-dependent. Preconditioning eliminates equilibrium hysteresis effects and leads to stress-strain repeatability. In the preconditioned state tissue stiffness and hysteresis insensitivity to strain rate in the applied range is evident. The employed material model fits the nonlinear anisotropic elastic results and the viscoelasticity model reasonably reproduces time-dependent results. Inversely deduced maximum anisotropic long-term shear modulus of linear elasticity is G ∞,max aniso =2.43kPa and instantaneous initial shear modulus at an

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-08-15

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

Magnetic and magneto-elastic properties of a single crystal of TbB{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Granovsky, S.A.; Amara, M.; Galera, R.M. [Laboratoire Louis Neel, CNRS, BP 166, Grenoble (France); Kunii, S. [Department of Physics, Faculty of Science, Tohoku University, Aramaki, Aoba-ku, Sendai (Japan)

2001-07-23

The magnetic and magneto-elastic properties of a single crystal of TbB{sub 6} are studied. In the ordered range metamagnetic behaviours are observed and complex phase diagrams are determined for magnetic fields along fourfold and threefold directions. In the paramagnetic phase the third-order magnetic susceptibilities and the parastriction curves show anisotropic behaviour which could be accounted for by crystalline electric field (CEF) effects. A set of CEF parameters is proposed on the basis of the analysis of the experimental magnetic and quadrupolar susceptibilities. Though non-negligible, the deduced quadrupolar couplings are weak in comparison with those previously determined in PrB{sub 6}. (author)

The determination of the elastic properties of an anisotropic polycrystalline graphite using neutron diffraction and ultrasonic measurements

Czech Academy of Sciences Publication Activity Database

Lokajíček, Tomáš; Lukáš, Petr; Nikitin, A. N.; Papushkin, I.V.; Sumin, V. V.; Vasin, R.N.

2010-01-01

Roč. 49, č. 4 (2010), s. 1374-1384 ISSN 0008-6223 R&D Projects: GA ČR GA205/08/0676 Institutional research plan: CEZ:AV0Z30130516; CEZ:AV0Z10480505 Keywords : extruded graphite * elastic properties * neutron diffraction * ultrasonic sounding * thermal-expansion * self-consistent * young moduls * porosity * stress * rocks Subject RIV: DB - Geology ; Mineralogy Impact factor: 4.893, year: 2010

Anisotropic hypersonic phonon propagation in films of aligned ellipsoids.

Science.gov (United States)

Beltramo, Peter J; Schneider, Dirk; Fytas, George; Furst, Eric M

2014-11-14

A material with anisotropic elastic mechanical properties and a direction-dependent hypersonic band gap is fabricated using ac electric field-directed convective self-assembly of colloidal ellipsoids. The frequency of the gap, which is detected in the direction perpendicular to particle alignment and entirely absent parallel to alignment, and the effective sound velocities can be tuned by the particle aspect ratio. We hypothesize that the band gap originates from the primary eigenmode peak, the m-splitted (s,1,2) mode, of the particle resonating with the effective medium. These results reveal the potential for powerful control of the hypersonic phononic band diagram by combining anisotropic particles and self-assembly.

High-pressure structural, elastic, and thermodynamic properties of zircon-type HoPO4 and TmPO4

International Nuclear Information System (INIS)

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

2017-01-01

Zircon-type holmium phosphate (HoPO 4 ) and thulium phosphate (TmPO 4 ) have been studied by single-crystal x-ray diffraction and ab initio calculations. We report on the influence of pressure on the crystal structure, and on the elastic and thermodynamic properties. The equation of state for both compounds is accurately determined. We have also obtained information on the polyhedral compressibility which is used to explain the anisotropic axial compressibility and the bulk compressibility. Both compounds are ductile and more resistive to volume compression than to shear deformation at all pressures. Furthermore, the elastic anisotropy is enhanced upon compression. Finally, the calculations indicate that the possible causes that make the zircon structure unstable are mechanical instabilities and the softening of a silent B 1u mode. (paper)

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-08-01

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

Pseudo-spectral method using rotated staggered grid for elastic wave propagation in 3D arbitrary anisotropic media

KAUST Repository

Zou, Peng

2017-05-10

Staggering grid is a very effective way to reduce the Nyquist errors and to suppress the non-causal ringing artefacts in the pseudo-spectral solution of first-order elastic wave equations. However, the straightforward use of a staggered-grid pseudo-spectral method is problematic for simulating wave propagation when the anisotropy level is greater than orthorhombic or when the anisotropic symmetries are not aligned with the computational grids. Inspired by the idea of rotated staggered-grid finite-difference method, we propose a modified pseudo-spectral method for wave propagation in arbitrary anisotropic media. Compared with an existing remedy of staggered-grid pseudo-spectral method based on stiffness matrix decomposition and a possible alternative using the Lebedev grids, the rotated staggered-grid-based pseudo-spectral method possesses the best balance between the mitigation of artefacts and efficiency. A 2D example on a transversely isotropic model with tilted symmetry axis verifies its effectiveness to suppress the ringing artefacts. Two 3D examples of increasing anisotropy levels demonstrate that the rotated staggered-grid-based pseudo-spectral method can successfully simulate complex wavefields in such anisotropic formations.

Temperature dependence of elastic properties of paratellurite

International Nuclear Information System (INIS)

Silvestrova, I.M.; Pisarevskii, Y.V.; Senyushenkov, P.A.; Krupny, A.I.

1987-01-01

New data are presented on the temperature dependence of the elastic wave velocities, elastic stiffness constants, and thermal expansion of paratellurite. It is shown that the external pressure appreciably influences the elastic properties of TeO 2 , especially the temperature dependence of the elastic modulus connected with the crystal soft mode. (author)

Elastic properties of graphite and interstitial defects

International Nuclear Information System (INIS)

Ayasse, J.-B.

1977-01-01

The graphite elastic constants C 33 and C 44 , reflecting the interaction of the graphitic planes, were experimentally measured as a function of irradiation and temperature. A model of non-central strength atomic interaction was established to explain the experimental results obtained. This model is valid at zero temperature. The temperature dependence of the elastic properties was analyzed. The influence of the elastic property variations on the specific heat of the lattice at very low temperature was investigated [fr

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

Science.gov (United States)

Dhar, Prodyut; Kumar, Amit; Katiyar, Vimal

2016-07-20

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

Elastic properties of fly ash-stabilized mixes

Directory of Open Access Journals (Sweden)

Sanja Dimter

2015-12-01

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

Elastic-Plastic Constitutive Equation of WC-Co Cemented Carbides with Anisotropic Damage

International Nuclear Information System (INIS)

Hayakawa, Kunio; Nakamura, Tamotsu; Tanaka, Shigekazu

2007-01-01

Elastic-plastic constitutive equation of WC-Co cemented carbides with anisotropic damage is proposed to predict a precise service life of cold forging tools. A 2nd rank symmetric tensor damage tensor is introduced in order to express the stress unilaterality; a salient difference in uniaxial behavior between tension and compression. The conventional framework of irreversible thermodynamics is used to derive the constitutive equation. The Gibbs potential is formulated as a function of stress, damage tensor, isotropic hardening variable and kinematic hardening variable. The elastic-damage constitutive equation, conjugate forces of damage, isotropic hardening and kinematic hardening variable is derived from the potential. For the kinematic hardening variable, the superposition of three kinematic hardening laws is employed in order to improve the cyclic behavior of the material. For the evolution equation of the damage tensor, the damage is assumed to progress by fracture of the Co matrix - WC particle interface and by the mechanism of fatigue, i.e. the accumulation of microscopic plastic strain in matrix and particles. By using the constitutive equations, calculation of uniaxial tensile and compressive test is performed and the results are compared with the experimental ones in the literature. Furthermore, finite element analysis on cold forward extrusion was carried out, in which the proposed constitutive equation was employed as die insert material

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

International Nuclear Information System (INIS)

Fan, B.B.; Yang, X.B.; Zhang, R.

2010-01-01

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

Ab initio elastic properties and tensile strength of crystalline hydroxyapatite.

Science.gov (United States)

Ching, W Y; Rulis, Paul; Misra, A

2009-10-01

We report elastic constant calculation and a "theoretical" tensile experiment on stoichiometric hydroxyapatite (HAP) crystal using an ab initio technique. These results compare favorably with a variety of measured data. Theoretical tensile experiments are performed on the orthorhombic cell of HAP for both uniaxial and biaxial loading. The results show considerable anisotropy in the stress-strain behavior. It is shown that the failure behavior of the perfect HAP crystal is brittle for tension along the z-axis with a maximum stress of 9.6 GPa at 10% strain. Biaxial failure envelopes from six "theoretical" loading tests show a highly anisotropic pattern. Structural analysis of the crystal under various stages of tensile strain reveals that the deformation behavior manifests itself mainly in the rotation of the PO(4) tetrahedron with concomitant movements of both the columnar and axial Ca ions. These results are discussed in the context of mechanical properties of bioceramic composites relevant to mineralized tissues.

Elastic properties of carbon phases obtained from C sub 6 sub 0 under pressure: the first example of anisotropic disordered carbon solid

CERN Document Server

Brazhkin, V V; Mukhamadiarov, V V; Gromnitskaya, E L; Lyapin, A G; Popova, S V; Stalgorova, O V

2002-01-01

We observe an anisotropy of the propagation velocities of longitudinal and transverse ultrasonic waves, as well as of the hardness, for disordered graphite-like samples obtained from the C sub 6 sub 0 fullerite, which is heated to different temperatures under a pressure of 7.5 GPa. The anisotropy of the elastic properties and the hardness is connected to the additional pressure component that occurs in the quasi-hydrostatic experimental conditions. The elastic characteristics of the samples are determined. We propose a model description relating the observed properties of superhard sp sup 2 carbon to its possible structural features and to the mechanism of its formation.

Density functional theory for calculation of elastic properties of orthorhombic crystals: Application to TiSi2

International Nuclear Information System (INIS)

Ravindran, P.; Fast, L.; Korzhavyi, P.A.; Johansson, B.; Wills, J.; Eriksson, O.

1998-01-01

A theoretical formalism to calculate the single crystal elastic constants for orthorhombic crystals from first principle calculations is described. This is applied for TiSi 2 and we calculate the elastic constants using a full potential linear muffin-tin orbital method using the local density approximation (LDA) and generalized gradient approximation (GGA). The calculated values compare favorably with recent experimental results. An expression to calculate the bulk modulus along crystallographic axes of single crystals, using elastic constants, has been derived. From this the calculated linear bulk moduli are found to be in good agreement with the experiments. The shear modulus, Young's modulus, and Poisson's ratio for ideal polycrystalline TiSi 2 are also calculated and compared with corresponding experimental values. The directional bulk modulus and the Young's modulus for single crystal TiSi 2 are estimated from the elastic constants obtained from LDA as well as GGA calculations and are compared with the experimental results. The shear anisotropic factors and anisotropy in the linear bulk modulus are obtained from the single crystal elastic constants. From the site and angular momentum decomposed density of states combined with a charge density analysis and the elastic anisotropies, the chemical bonding nature between the constituents in TiSi 2 is analyzed. 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. The calculated elastic properties are found to be in good agreement with experimental values when the generalized gradient approximation is used for the exchange and correlation potential. copyright 1998 American Institute of Physics

A novel method for biomaterial scaffold internal architecture design to match bone elastic properties with desired porosity.

Science.gov (United States)

Lin, Cheng Yu; Kikuchi, Noboru; Hollister, Scott J

2004-05-01

An often-proposed tissue engineering design hypothesis is that the scaffold should provide a biomimetic mechanical environment for initial function and appropriate remodeling of regenerating tissue while concurrently providing sufficient porosity for cell migration and cell/gene delivery. To provide a systematic study of this hypothesis, the ability to precisely design and manufacture biomaterial scaffolds is needed. Traditional methods for scaffold design and fabrication cannot provide the control over scaffold architecture design to achieve specified properties within fixed limits on porosity. The purpose of this paper was to develop a general design optimization scheme for 3D internal scaffold architecture to match desired elastic properties and porosity simultaneously, by introducing the homogenization-based topology optimization algorithm (also known as general layout optimization). With an initial target for bone tissue engineering, we demonstrate that the method can produce highly porous structures that match human trabecular bone anisotropic stiffness using accepted biomaterials. In addition, we show that anisotropic bone stiffness may be matched with scaffolds of widely different porosity. Finally, we also demonstrate that prototypes of the designed structures can be fabricated using solid free-form fabrication (SFF) techniques.

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-02-15

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

Dispersive elastic properties of Dzyaloshinskii domain walls

Science.gov (United States)

Pellegren, James; Lau, Derek; Sokalski, Vincent

Recent studies on the asymmetric field-driven growth of magnetic bubble domains in perpendicular thin films exhibiting an interfacial Dzyaloshinskii-Moriya interaction (DMI) have provided a wealth of experimental evidence to validate models of creep phenomena, as key properties of the domain wall (DW) can be altered with the application of an external in-plane magnetic field. While asymmetric growth behavior has been attributed to the highly anisotropic DW energy, σ (θ) , which results from the combination of DMI and the in-plane field, many experimental results remain anomalous. In this work, we demonstrate that the anisotropy of DW energy alters the elastic response of the DW as characterized by the surface stiffness, σ (θ) = σ (θ) + σ (θ) , and evaluate the impact of this stiffness on the creep law. We find that at in-plane fields larger than and antiparallel to the effective field due to DMI, the DW stiffness decreases rapidly, suggesting that higher energy walls can actually become more mobile than their low energy counterparts. This result is consistent with experiments on CoNi multilayer films where velocity curves for domain walls with DMI fields parallel and antiparallel to the applied field cross over at high in-plane fields.

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

KAUST Repository

Oh, Juwon; Alkhalifah, Tariq Ali

2016-01-01

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

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

KAUST Repository

Oh, Juwon

2016-09-06

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

Reliability of in vivo measurements of the dielectric properties of anisotropic tissue: a simulative study

International Nuclear Information System (INIS)

Huo Xuyang; Shi Xuetao; You Fusheng; Fu Feng; Liu Ruigang; Tang Chi; Dong Xiuzhen; Lu Qiang

2013-01-01

A simulative study was performed to measure the dielectric properties of anisotropic tissue using several in vivo and in vitro probes. COMSOL Multiphysics was selected to carry out the simulation. Five traditional probes and a newly designed probe were used in this study. One of these probes was an in vitro measurement probe and the other five were in vivo. The simulations were performed in terms of the minimal tissue volume for in vivo measurements, the calibration of a probe constant, the measurement performed on isotropic tissue and the measurement performed on anisotropic tissue. Results showed that the in vitro probe can be used to measure the in-cell dielectric properties of isotropic and anisotropic tissues. When measured with the five in vivo probes, the dielectric properties of isotropic tissue were all measured accurately. For the measurements performed on anisotropic tissue, large errors were observed when the four traditional in vivo probes were used, but only a small error was observed when the new in vivo probe was used. This newly designed five-electrode in vivo probe may indicate the dielectric properties of anisotropic tissue more accurately than these four traditional in vivo probes. (paper)

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

KAUST Repository

Gao, Kai; Fu, Shubin; Gibson, Richard L.; Chung, Eric T.; Efendiev, Yalchin R.

2015-01-01

, anisotropic media, where we construct basis functions from multiple local problems for both boundaries and the interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale medium property

Elastic properties of icosahedral and decagonal quasicrystals

International Nuclear Information System (INIS)

Chernikov, Mikhail A

2005-01-01

Problems associated with determining the symmetry properties of the elastic constant tensor of icosahedral and decagonal quasicrystals are reviewed. Notions of elastic isotropy and anisotropy are considered, and their relation to the components of the elastic constant tensor is discussed. The question is addressed of how to determine experimentally whether a system under study is elastically isotropic. Experimental results produced by resonant ultrasound spectroscopy of icosahedral Al-Li-Cu and decagonal Al-Ni-Co single quasicrystals are discussed in detail. (methodological notes)

Correlations between elastic moduli and properties in bulk metallic glasses

International Nuclear Information System (INIS)

Wang Weihua

2006-01-01

A survey of the elastic, mechanical, fragility, and thermodynamic properties of bulk metallic glasses (BMGs) and glass-forming liquids is presented. It is found that the elastic moduli of BMGs have correlations with the glass transition temperature, melting temperature, mechanical properties, and even liquid fragility. On the other hand, the elastic constants of available BMGs show a rough correlation with a weighted average of the elastic constants for the constituent elements. Although the theoretical and physical reasons for the correlations are to be clarified, these correlations could assist in understanding the long-standing issues of glass formation and the nature of glass and simulate the work of theorists. Based on the correlation, we show that the elastic moduli can assist in selecting alloying components for controlling the elastic properties and glass-forming ability of the BMGs and thus can guide BMG design. As case study, we report the formation of the families of rare-earth-based BMGs with controllable properties

Elastic Property Simulation of Nano-particle Reinforced Composites

Directory of Open Access Journals (Sweden)

He Jiawei

2016-01-01

Full Text Available A series of numerical micro-mechanical models for two kinds of particle (cylindrical and discal particle reinforced composites are developed to investigate the effect of microstructural parameters on the elastic properties of composites. The effects of both the degree of particle clustering and particle’s shape on the elastic mechanical properties of composites are investigated. In addition, single particle unit cell approximation is good enough for the analysis of the effect of averaged parameters when only linear elastic response is considered without considering the particle clustering in particle-reinforced composites.

Effective elastic properties of damaged isotropic solids

International Nuclear Information System (INIS)

Lee, U Sik

1998-01-01

In continuum damage mechanics, damaged solids have been represented by the effective elastic stiffness into which local damage is smoothly smeared. Similarly, damaged solids may be represented in terms of effective elastic compliances. By virtue of the effective elastic compliance representation, it may become easier to derive the effective engineering constants of damaged solids from the effective elastic compliances, all in closed form. Thus, in this paper, by using a continuum modeling approach based on both the principle of strain energy equivalence and the equivalent elliptical micro-crack representation of local damage, the effective elastic compliance and effective engineering constants are derived in terms of the undamaged (virgin) elastic properties and a scalar damage variable for both damaged two-and three-dimensional isotropic solids

Novel silicon allotropes: Stability, mechanical, and electronic properties

Energy Technology Data Exchange (ETDEWEB)

Fan, Qingyang; Chai, Changchun; Zhao, Yingbo; Yang, Yintang; Yu, Xinhai; Liu, Yang; Zhang, Junqin [Key Laboratory of Ministry of Education for Wide Band-Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xi' an 710071 (China); Wei, Qun, E-mail: weiaqun@163.com; Yao, Ronghui [School of Physics and Optoelectronic Engineering, Xidian University, Xi' an 710071 (China); Yan, Haiyan [College of Chemistry and Chemical Engineering, Baoji University of Arts and Sciences, Baoji 721013 (China); Xing, Mengjiang [Faculty of Information Engineering and Automation, Kunming University of Science and Technology, Kunming 650051 (China)

2015-11-14

One quasi-direct gap phase (Amm2) and three indirect gap phases (C2/m-16, C2/m-20, and I-4) of silicon allotropes are proposed. The detailed theoretical study on the structure, density of states, elastic properties, sound velocities, and Debye temperature of these four phases is carried out by using first principles calculations. The elastic constants of these four phases are calculated by strain-stress method. The elastic constants and the phonon calculations manifest all novel silicon allotropes in this paper are mechanically and dynamically stable at ambient condition. The B/G values indicate that these four phases of silicon are brittle materials at ambient pressure. The anisotropy properties show that C2/m-20 phase exhibits a larger anisotropy in its elastic modulus, shear elastic anisotropic factors, and several anisotropic indices than others. We have found that the Debye temperature of the four novel silicon allotropes gradually reduces in the order of C2/m-20 > Amm2 > C2/m-16 > I-4 at ambient pressure.

In-plane anisotropic strain of elastically and plastically deformed III-nitrides on lithium gallate

Energy Technology Data Exchange (ETDEWEB)

Namkoong, Gon, E-mail: gnamkoon@odu.ed [Old Dominion University, Electrical and Computer Engineering, Applied Research Center, 12050 Jefferson Avenue, Newport News, VA 23606 (United States); Huang, Sa; Moseley, Michael; Doolittle, W. Alan [Georgia Institute of Technology, School of Electrical and Computer Engineering, 777 Atlantic Dr., Atlanta, GA 30332 (United States)

2009-10-30

We have investigated both elastically and plastically deformed GaN films on lithium gallate, LiGaO{sub 2}, by molecular beam epitaxy. The in-plane lattice parameters were determined from high resolution X-ray diffraction and indicated two different groups of in-plane lattice parameters, influenced by the a- and b-axis of LiGaO{sub 2}. The measured in-plane lattice parameters indicate that there exist both compressive and tensile strains of in-plane GaN along the a- and b-axis of LiGaO{sub 2}, respectively. This anisotropic strain in GaN films forms a slight distortion of the basal-plane hexagonal structure of GaN films, leading to a different critical thickness of 4.0 {+-} 0.17 and 7.8 {+-} 0.7 nm along the a- and b-axis of LiGaO{sub 2}, respectively.

In-plane anisotropic strain of elastically and plastically deformed III-nitrides on lithium gallate

International Nuclear Information System (INIS)

Namkoong, Gon; Huang, Sa; Moseley, Michael; Doolittle, W. Alan

2009-01-01

We have investigated both elastically and plastically deformed GaN films on lithium gallate, LiGaO 2 , by molecular beam epitaxy. The in-plane lattice parameters were determined from high resolution X-ray diffraction and indicated two different groups of in-plane lattice parameters, influenced by the a- and b-axis of LiGaO 2 . The measured in-plane lattice parameters indicate that there exist both compressive and tensile strains of in-plane GaN along the a- and b-axis of LiGaO 2 , respectively. This anisotropic strain in GaN films forms a slight distortion of the basal-plane hexagonal structure of GaN films, leading to a different critical thickness of 4.0 ± 0.17 and 7.8 ± 0.7 nm along the a- and b-axis of LiGaO 2 , respectively.

Boron nitride elastic and thermal properties. Irradiation effects

International Nuclear Information System (INIS)

Jager, Bernard.

1977-01-01

The anisotropy of boron nitride (BN) and especially thermal and elastic properties were studied. Specific heat and thermal conductivity between 1.2 and 300K, thermal conductivity between 4 and 350K and elastic constants C 33 and C 44 were measured. BN was irradiated with electrons at 77K and with neutrons at 27K to determine properties after irradiation [fr

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

Directory of Open Access Journals (Sweden)

Liang Sun

2016-01-01

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

Elastic and viscoplastic properties

International Nuclear Information System (INIS)

Lebensohn, R.A.

2015-01-01

In this chapter, we review crystal elasticity and plasticity-based self-consistent theories and apply them to the determination of the effective response of polycrystalline aggregates. These mean-field formulations, which enable the prediction of the mechanical behaviour of polycrystalline aggregates based on the heterogeneous and/or directional properties of their constituent single crystal grains and phases, are ideal tools to establish relationships between microstructure and properties of these materials, ubiquitous among fuels and structural materials for nuclear systems. (author)

On the evaluation of temperature dependence of elastic constants of martensitic phases in shape memory alloys from resonant ultrasound spectroscopy studies

International Nuclear Information System (INIS)

Landa, Michal; Sedlak, Petr; Sittner, Petr; Seiner, Hanus; Heller, Ludek

2008-01-01

Elastic constants of austenite and martensite phases in shape memory alloys reflect fundamental thermodynamic properties of these materials-i.e. important physical information can be deduced not just from the values of the constants but, mainly from their temperature and stress dependencies. As regards to the parent austenite phase, such information is available in the literature for most of the known shape memory alloys. For the martensitic phases, however, only few reliable experimental data exist, due to the experimental difficulties with the preparation of martensite single crystals as well as due to the difficulties with the ultrasonic measurement of elastic properties of strongly anisotropic media with low symmetry. In this work, the temperature dependence of all elastic constants of cubic austenite and orthorhombic 2H martensite phases in Cu-Al-Ni alloy determined by resonance ultrasound spectroscopy (RUS) is reported. Experimental and theoretical improvements of the RUS method which had to be made to perform the successful measurements on strongly anisotropic and martensitic phases are discussed

Cell wall elasticity: I. A critique of the bulk elastic modulus approach and an analysis using polymer elastic principles

Science.gov (United States)

Wu, H. I.; Spence, R. D.; Sharpe, P. J.; Goeschl, J. D.

1985-01-01

The traditional bulk elastic modulus approach to plant cell pressure-volume relations is inconsistent with its definition. The relationship between the bulk modulus and Young's modulus that forms the basis of their usual application to cell pressure-volume properties is demonstrated to be physically meaningless. The bulk modulus describes stress/strain relations of solid, homogeneous bodies undergoing small deformations, whereas the plant cell is best described as a thin-shelled, fluid-filled structure with a polymer base. Because cell walls possess a polymer structure, an alternative method of mechanical analysis is presented using polymer elasticity principles. This initial study presents the groundwork of polymer mechanics as would be applied to cell walls and discusses how the matrix and microfibrillar network induce nonlinear stress/strain relationships in the cell wall in response to turgor pressure. In subsequent studies, these concepts will be expanded to include anisotropic expansion as regulated by the microfibrillar network.

Membrane elastic properties and cell function.

Directory of Open Access Journals (Sweden)

Bruno Pontes

Full Text Available Recent studies indicate that the cell membrane, interacting with its attached cytoskeleton, is an important regulator of cell function, exerting and responding to forces. We investigate this relationship by looking for connections between cell membrane elastic properties, especially surface tension and bending modulus, and cell function. Those properties are measured by pulling tethers from the cell membrane with optical tweezers. Their values are determined for all major cell types of the central nervous system, as well as for macrophage. Astrocytes and glioblastoma cells, which are considerably more dynamic than neurons, have substantially larger surface tensions. Resting microglia, which continually scan their environment through motility and protrusions, have the highest elastic constants, with values similar to those for resting macrophage. For both microglia and macrophage, we find a sharp softening of bending modulus between their resting and activated forms, which is very advantageous for their acquisition of phagocytic functions upon activation. We also determine the elastic constants of pure cell membrane, with no attached cytoskeleton. For all cell types, the presence of F-actin within tethers, contrary to conventional wisdom, is confirmed. Our findings suggest the existence of a close connection between membrane elastic constants and cell function.

Mechanical properties of layered oxysulfide CaZnOS from first principle calculations

Energy Technology Data Exchange (ETDEWEB)

Zhang, Zhi-Jun [Department of Physics, Dongguk University, Pildong-ro, Choong-gu, Seoul, 100-715 (Korea, Republic of); Feng, Ang [Key Laboratory of Transparent Opto-Functional Inorganic Materials of Chinese Academy of Sciences, Shanghai Institute of Ceramics, Shanghai, 200050 (China); Zhang, Shao-Lin; Zhang, Wei-Bin [Department of Physics, Dongguk University, Pildong-ro, Choong-gu, Seoul, 100-715 (Korea, Republic of); Yang, Woochul, E-mail: wyang@dongguk.edu [Department of Physics, Dongguk University, Pildong-ro, Choong-gu, Seoul, 100-715 (Korea, Republic of)

2016-06-15

Elastic and tensile properties of mixed-anion oxysulfide CaZnOS have been theoretically investigated by first principle method of density functional theory (DFT). Elastic constants were obtained by stress–strain relationships, and bulk structure parameters including bulk modulus, shear modulus, as well as Poisson's ratio were then calculated using Voigt-Reuses-Hill (VRH) approximation. The results of shear anisotropic factors, compressibility anisotropic factor and directional Young's modulus showed that CaZnOS is almost elastically isotropic in {001} planes and maintains elastic anisotropy in {100} or {010} planes. Chemical bond anisotropy shown by Mulliken atomic charges and bond overlap populations is responsible for the elastic anisotropy behavior aforementioned. Moreover, theoretical uniaxial and biaxial tensile results showed the crystal collapsed at strain more than 12%, except in the biaxial extension where CaZnOS collapsed at strain of 7%. - Highlights: • Elastic and theoretical tensile properties of CaZnOS have been investigated by first principle method. • CaZnOS is elastically isotropic in {001} planes and maintains elastic anisotropy in {100} or {010} planes. • Mulliken atomic charges and bond overlap populations are responsible for the elastic anisotropy behavior.

Efficient Wavefield Extrapolation In Anisotropic Media

KAUST Repository

Alkhalifah, Tariq; Ma, Xuxin; Waheed, Umair bin; Zuberi, Mohammad Akbar Hosain

2014-01-01

Various examples are provided for wavefield extrapolation in anisotropic media. In one example, among others, a method includes determining an effective isotropic velocity model and extrapolating an equivalent propagation of an anisotropic, poroelastic or viscoelastic wavefield. The effective isotropic velocity model can be based upon a kinematic geometrical representation of an anisotropic, poroelastic or viscoelastic wavefield. Extrapolating the equivalent propagation can use isotopic, acoustic or elastic operators based upon the determined effective isotropic velocity model. In another example, non-transitory computer readable medium stores an application that, when executed by processing circuitry, causes the processing circuitry to determine the effective isotropic velocity model and extrapolate the equivalent propagation of an anisotropic, poroelastic or viscoelastic wavefield. In another example, a system includes processing circuitry and an application configured to cause the system to determine the effective isotropic velocity model and extrapolate the equivalent propagation of an anisotropic, poroelastic or viscoelastic wavefield.

Efficient Wavefield Extrapolation In Anisotropic Media

KAUST Repository

Alkhalifah, Tariq

2014-07-03

Various examples are provided for wavefield extrapolation in anisotropic media. In one example, among others, a method includes determining an effective isotropic velocity model and extrapolating an equivalent propagation of an anisotropic, poroelastic or viscoelastic wavefield. The effective isotropic velocity model can be based upon a kinematic geometrical representation of an anisotropic, poroelastic or viscoelastic wavefield. Extrapolating the equivalent propagation can use isotopic, acoustic or elastic operators based upon the determined effective isotropic velocity model. In another example, non-transitory computer readable medium stores an application that, when executed by processing circuitry, causes the processing circuitry to determine the effective isotropic velocity model and extrapolate the equivalent propagation of an anisotropic, poroelastic or viscoelastic wavefield. In another example, a system includes processing circuitry and an application configured to cause the system to determine the effective isotropic velocity model and extrapolate the equivalent propagation of an anisotropic, poroelastic or viscoelastic wavefield.

Controlling elastic waves with small phononic crystals containing rigid inclusions

KAUST Repository

Peng, Pai; Qiu, Chunyin; Liu, Zhengyou; Wu, Ying

2014-01-01

waveguide made of a two-layer anisotropic elastic phononic crystal, which can guide and bend elastic waves with wavelengths much larger than the size of the waveguide. The other example is the enhanced elastic transmission of a single-layer elastic phononic

Properties of weak contrast PP reflection/transmission coefficients for weakly anisotropic elastic media

Czech Academy of Sciences Publication Activity Database

Pšenčík, Ivan; Martins, J. L.

2001-01-01

Roč. 45, č. 2 (2001), s. 176-199 ISSN 0039-3169. [ICTCA'99. Trieste, 10.05.1999-14.05.1999] Institutional research plan: CEZ:AV0Z3012916 Keywords : elastic media * anisotropy * seismic reflection Subject RIV: DC - Siesmology, Volcanology, Earth Structure Impact factor: 0.680, year: 2001

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

International Nuclear Information System (INIS)

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

2016-01-01

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. (paper)

Structural, bonding, anisotropic mechanical and thermal properties of Al4SiC4 and Al4Si2C5 by first-principles investigations

Directory of Open Access Journals (Sweden)

Liang Sun

2016-09-01

Full Text Available The structural, bonding, electronic, mechanical and thermal properties of ternary aluminum silicon carbides Al4SiC4 and Al4Si2C5 are investigated by first-principles calculations combined with the Debye quasi-harmonic approximation. All the calculated mechanical constants like bulk, shear and Young's modulus are in good agreement with experimental values. Both compounds show distinct anisotropic elastic properties along different crystalline directions, and the intrinsic brittleness of both compounds is also confirmed. The elastic anisotropy of both aluminum silicon carbides originates from their bonding structures. The calculated band gap is obtained as 1.12 and 1.04 eV for Al4SiC4 and Al4Si2C5 respectively. From the total electron density distribution map, the obvious covalent bonds exist between Al and C atoms. A distinct electron density deficiency sits between AlC bond along c axis among Al4SiC4, which leads to its limited tensile strength. Meanwhile, the anisotropy of acoustic velocities for both compounds is also calculated and discussed.

Weighted anisotropic Korn's inequality for a junction of a plate and a rod

International Nuclear Information System (INIS)

Nazarov, S A

2004-01-01

Korn's inequality is proved for an elastic body obtained by attaching to a plate several rods with clamped farther ends. The thickness of the plate and the diameters of the rods are characterized by a single small parameter h, which also gauges the distinctions in the elastic properties of the elements of the junction. The selection of the weighted anisotropic norms distinguishing the longitudinal and transverse directions in the plate and in a rod ensures the asymptotic accuracy of the inequality, which is substantiated by examples of particular constructions. New results on single plates and rods are obtained in the course of the proof.

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

Science.gov (United States)

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

Self-force on dislocation segments in anisotropic crystals

International Nuclear Information System (INIS)

Fitzgerald, S P; Aubry, S

2010-01-01

A dislocation segment in a crystal experiences a 'self-force', by virtue of the orientation dependence of its elastic energy. If the crystal is elastically isotropic, this force is manifested as a couple acting to rotate the segment toward the lower energy of the pure screw orientation (i.e. acting to align the dislocation line with its Burgers vector). If the crystal is anisotropic, there are additional contributions to the couple, arising from the more complex energy landscape of the lattice itself. These effects can strongly influence the dynamic evolution of dislocation networks, and via their governing role in dislocation multiplication phenomena, control plastic flow in metals. In this paper we develop a model for dislocation self-forces in a general anisotropic crystal, and briefly consider the technologically important example of α-iron, which becomes increasingly anisotropic as the temperature approaches that of the α-γ phase transition at 912 0 C.

A finite element computer program for the calculation of the resonant frequencies of anisotropic materials

International Nuclear Information System (INIS)

Fleury, W.H.; Rosinger, H.E.; Ritchie, I.G.

1975-09-01

A set of computer programs for the calculation of the flexural and torsional resonant frequencies of rectangular section bars of materials of orthotropic or higher symmetry are described. The calculations are used in the experimental determination and verification of the elastic constants of anisotropic materials. The simple finite element technique employed separates the inertial and elastic properties of the beam element into station and field transfer matrices respectively. It includes the Timoshenko beam corrections for flexure and Lekhnitskii's theory for torsion-flexure coupling. The programs also calculate the vibration shapes and surface nodal contours or Chladni figures of the vibration modes. (author)

Elastic properties of some transition metal arsenides

Science.gov (United States)

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.

Size dependence of elastic mechanical properties of nanocrystalline aluminum

Energy Technology Data Exchange (ETDEWEB)

Xu, Wenwu; Dávila, Lilian P., E-mail: ldavila@ucmerced.edu

2017-04-24

The effect of grain size on the elastic mechanical properties of nanocrystalline pure metal Al is quantified by molecular dynamics simulation method. In this work, the largest nanocrystalline Al sample has a mean grain size of 29.6 nm and contains over 100 millions atoms in the modeling system. The simulation results show that the elastic properties including elastic modulus and ultimate tensile strength of nanocrystalline Al are relatively insensitive to the variation of mean grain size above 13 nm yet they become distinctly grain size dependent below 13 nm. Moreover, at a grain size <13 nm, the elastic modulus decreases monotonically with decreasing grain size while the ultimate tensile strength of nanocrystalline Al initially decreases with the decrease of the grain size down to 9 nm and then increases with further reduction of grain size. The increase of ultimate tensile strength below 9 nm is believed to be a result of an extended elasticity in the ultrafine grain size nanocrystalline Al. This study can facilitate the prediction of varied mechanical properties for similar nanocrystalline materials and even guide testing and fabrication schemes of such materials.

Multiparameter elastic full waveform inversion with facies-based constraints

Science.gov (United States)

Zhang, Zhen-dong; Alkhalifah, Tariq; Naeini, Ehsan Zabihi; Sun, Bingbing

2018-06-01

Full waveform inversion (FWI) incorporates all the data characteristics to estimate the parameters described by the assumed physics of the subsurface. However, current efforts to utilize FWI beyond improved acoustic imaging, like in reservoir delineation, faces inherent challenges related to the limited resolution and the potential trade-off between the elastic model parameters. Some anisotropic parameters are insufficiently updated because of their minor contributions to the surface collected data. Adding rock physics constraints to the inversion helps mitigate such limited sensitivity, but current approaches to add such constraints are based on including them as a priori knowledge mostly valid around the well or as a global constraint for the whole area. Since similar rock formations inside the Earth admit consistent elastic properties and relative values of elasticity and anisotropy parameters (this enables us to define them as a seismic facies), utilizing such localized facies information in FWI can improve the resolution of inverted parameters. We propose a novel approach to use facies-based constraints in both isotropic and anisotropic elastic FWI. We invert for such facies using Bayesian theory and update them at each iteration of the inversion using both the inverted models and a priori information. We take the uncertainties of the estimated parameters (approximated by radiation patterns) into consideration and improve the quality of estimated facies maps. Four numerical examples corresponding to different acquisition, physical assumptions and model circumstances are used to verify the effectiveness of the proposed method.

Multiparameter Elastic Full Waveform Inversion with Facies-based Constraints

Science.gov (United States)

Zhang, Zhen-dong; Alkhalifah, Tariq; Naeini, Ehsan Zabihi; Sun, Bingbing

2018-03-01

Full waveform inversion (FWI) incorporates all the data characteristics to estimate the parameters described by the assumed physics of the subsurface. However, current efforts to utilize full waveform inversion beyond improved acoustic imaging, like in reservoir delineation, faces inherent challenges related to the limited resolution and the potential trade-off between the elastic model parameters. Some anisotropic parameters are insufficiently updated because of their minor contributions to the surface collected data. Adding rock physics constraints to the inversion helps mitigate such limited sensitivity, but current approaches to add such constraints are based on including them as a priori knowledge mostly valid around the well or as a global constraint for the whole area. Since similar rock formations inside the Earth admit consistent elastic properties and relative values of elasticity and anisotropy parameters (this enables us to define them as a seismic facies), utilizing such localized facies information in FWI can improve the resolution of inverted parameters. We propose a novel approach to use facies-based constraints in both isotropic and anisotropic elastic FWI. We invert for such facies using Bayesian theory and update them at each iteration of the inversion using both the inverted models and a prior information. We take the uncertainties of the estimated parameters (approximated by radiation patterns) into consideration and improve the quality of estimated facies maps. Four numerical examples corresponding to different acquisition, physical assumptions and model circumstances are used to verify the effectiveness of the proposed method.

Multiparameter Elastic Full Waveform Inversion with Facies-based Constraints

KAUST Repository

Zhang, Zhendong

2018-03-20

Full waveform inversion (FWI) incorporates all the data characteristics to estimate the parameters described by the assumed physics of the subsurface. However, current efforts to utilize full waveform inversion beyond improved acoustic imaging, like in reservoir delineation, faces inherent challenges related to the limited resolution and the potential trade-off between the elastic model parameters. Some anisotropic parameters are insufficiently updated because of their minor contributions to the surface collected data. Adding rock physics constraints to the inversion helps mitigate such limited sensitivity, but current approaches to add such constraints are based on including them as a priori knowledge mostly valid around the well or as a global constraint for the whole area. Since similar rock formations inside the Earth admit consistent elastic properties and relative values of elasticity and anisotropy parameters (this enables us to define them as a seismic facies), utilizing such localized facies information in FWI can improve the resolution of inverted parameters. We propose a novel approach to use facies-based constraints in both isotropic and anisotropic elastic FWI. We invert for such facies using Bayesian theory and update them at each iteration of the inversion using both the inverted models and a prior information. We take the uncertainties of the estimated parameters (approximated by radiation patterns) into consideration and improve the quality of estimated facies maps. Four numerical examples corresponding to different acquisition, physical assumptions and model circumstances are used to verify the effectiveness of the proposed method.

Elastic properties of gamma-Pu by resonant ultrasound spectroscopy

Energy Technology Data Exchange (ETDEWEB)

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

2009-01-01

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

Elastic properties of magnetostrictive rare-earth-iron alloys

International Nuclear Information System (INIS)

Cullen, J.R.; Blessing, G.; Rinaldi, S.

1978-01-01

The elastic properties of certain magnetostrictive rare-earth-iron alloys, namely polycrystalline Tbsub(0.3)Dysub(0.7)Fesub(2), Smsub(0.88)Dysub(0.12)Fesub(2)and amorphous TbFesub(2), were investigated ultrasonically. In all cases two shear waves were observed propagating simultaneously when a magnetic field was applied perpendicular to the direction of propagation. A model to explain this behaviour, based on magnetic-elastic coupling within local regions of these disordered materials, is developed and discussed in two limiting cases: (i) strongly coupled regions for which an effective isotropic magneto-elastic coupling is appropriate, and (ii) materials for which the elastic properties of the conglomerate are determined by averaging over those of independent regions. Experimental results up to fields of 25 kOe on the alloys mentioned above are exhibited and compared with the limiting cases (i) and (ii). In the case of polycrystalline Tbsub(0.3)Dysub(0.7)Fesub(2) further comparison is made between the determination of the magneto-elastic coupling constants using this model and the determination by using the results of a previous single-crystal study. (author)

Intrinsic defect processes and elastic properties of Ti3AC2 (A = Al, Si, Ga, Ge, In, Sn) MAX phases

Science.gov (United States)

Christopoulos, S.-R. G.; Filippatos, P. P.; Hadi, M. A.; Kelaidis, N.; Fitzpatrick, M. E.; Chroneos, A.

2018-01-01

Mn+1AXn phases (M = early transition metal; A = group 13-16 element and X = C or N) have a combination of advantageous metallic and ceramic properties, and are being considered for structural applications particularly where high thermal conductivity and operating temperature are the primary drivers: for example in nuclear fuel cladding. Here, we employ density functional theory calculations to investigate the intrinsic defect processes and mechanical behaviour of a range of Ti3AC2 phases (A = Al, Si, Ga, Ge, In, Sn). Based on the intrinsic defect reaction, it is calculated that Ti3SnC2 is the more radiation-tolerant 312 MAX phase considered herein. In this material, the C Frenkel reaction is the lowest energy intrinsic defect mechanism with 5.50 eV. When considering the elastic properties of the aforementioned MAX phases, Ti3SiC2 is the hardest and Ti3SnC2 is the softest. All the MAX phases considered here are non-central force solids and brittle in nature. Ti3SiC2 is elastically more anisotropic and Ti3AlC2 is nearly isotropic.

Theoretical prediction of sandwiched two-dimensional phosphide binary compound sheets with tunable bandgaps and anisotropic physical properties

Science.gov (United States)

Zhang, C. Y.; Yu, M.

2018-03-01

Atomic layers of GaP and InP binary compounds with unique anisotropic structural, electronic and mechanical properties have been predicted from first-principle molecular dynamics simulations. These new members of the phosphide binary compound family stabilize to a sandwiched two-dimensional (2D) crystalline structure with orthorhombic lattice symmetry and high buckling of 2.14 Å-2.46 Å. Their vibration modes are similar to those of phosphorene with six Raman active modes ranging from ˜80 cm-1 to 400 cm-1. The speeds of sound in their phonon dispersions reflect anisotropy in their elastic constants, which was further confirmed by their strong directional dependence of Young’s moduli and effective nonlinear elastic moduli. They show wide bandgap semiconductor behavior with fundamental bandgaps of 2.89 eV for GaP and 2.59 eV for InP, respectively, even wider than their bulk counterparts. Such bandgaps were found to be tunable under strain. In particular, a direct-indirect bandgap transition was found under certain strains along zigzag or biaxial orientations, reflecting their promising applications in strain-induced bandgap engineering in nanoelectronics and photovoltaics. Feasible pathways to realize these novel 2D phosphide compounds are also proposed.

Permeability and elastic properties of cracked glass under pressure

Science.gov (United States)

Ougier-Simonin, A.; GuéGuen, Y.; Fortin, J.; Schubnel, A.; Bouyer, F.

2011-07-01

Fluid flow in rocks is allowed through networks of cracks and fractures at all scales. In fact, cracks are of high importance in various applications ranging from rock elastic and transport properties to nuclear waste disposal. The present work aims at investigating thermomechanical cracking effects on elastic wave velocities, mechanical strength, and permeability of cracked glass under pressure. We performed the experiments on a triaxial cell at room temperature which allows for independent controls of the confining pressure, the axial stress, and pore pressure. We produced cracks in original borosilicate glass samples with a reproducible method (thermal treatment with a thermal shock of 300°C). The evolution of the elastic and transport properties have been monitored using elastic wave velocity sensors, strain gage, and flow measurements. The results obtained evidence for (1) a crack family with identified average aspect ratio and crack aperture, (2) a very small permeability which decreases as a power (exponential) function of pressure, and depends on (3) the crack aperture cube. We also show that permeability behavior of a cracked elastic brittle solid is reversible and independent of the fluid nature. Two independent methods (permeability and elastic wave velocity measurements) give these consistent results. This study provides data on the mechanical and transport properties of an almost ideal elastic brittle solid in which a crack population has been introduced. Comparisons with similar data on rocks allow for drawing interesting conclusions. Over the timescale of our experiments, our results do not provide any data on stress corrosion, which should be considered in further study.

Remarks on orthotropic elastic models applied to wood

Directory of Open Access Journals (Sweden)

Nilson Tadeu Mascia

2006-09-01

Full Text Available Wood is generally considered an anisotropic material. In terms of engineering elastic models, wood is usually treated as an orthotropic material. This paper presents an analysis of two principal anisotropic elastic models that are usually applied to wood. The first one, the linear orthotropic model, where the material axes L (Longitudinal, R( radial and T(tangential are coincident with the Cartesian axes (x, y, z, is more accepted as wood elastic model. The other one, the cylindrical orthotropic model is more adequate of the growth caracteristics of wood but more mathematically complex to be adopted in practical terms. Specifically due to its importance in wood elastic parameters, this paper deals with the fiber orientation influence in these models through adequate transformation of coordinates. As a final result, some examples of the linear model, which show the variation of elastic moduli, i.e., Young´s modulus and shear modulus, with fiber orientation are presented.

Computational Modelling of Fracture Propagation in Rocks Using a Coupled Elastic-Plasticity-Damage Model

Directory of Open Access Journals (Sweden)

Isa Kolo

2016-01-01

Full Text Available A coupled elastic-plasticity-damage constitutive model, AK Model, is applied to predict fracture propagation in rocks. The quasi-brittle material model captures anisotropic effects and the distinct behavior of rocks in tension and compression. Calibration of the constitutive model is realized using experimental data for Carrara marble. Through the Weibull distribution function, heterogeneity effect is captured by spatially varying the elastic properties of the rock. Favorable comparison between model predictions and experiments for single-flawed specimens reveal that the AK Model is reliable and accurate for modelling fracture propagation in rocks.

Elastic properties of synthetic materials for soft tissue modeling

International Nuclear Information System (INIS)

Mansy, H A; Grahe, J R; Sandler, R H

2008-01-01

Mechanical models of soft tissue are useful for studying vibro-acoustic phenomena. They may be used for validating mathematical models and for testing new equipment and techniques. The objective of this study was to measure density and visco-elastic properties of synthetic materials that can be used to build such models. Samples of nine different materials were tested under dynamic (0.5 Hz) compressive loading conditions. The modulus of elasticity of the materials was varied, whenever possible, by adding a softener during manufacturing. The modulus was measured over a nine month period to quantify the effect of ageing and softener loss on material properties. Results showed that a wide range of the compression elasticity modulus (10 to 1400 kPa) and phase (3.5 0 -16.7 0 ) between stress and strain were possible. Some materials tended to exude softener over time, resulting in a weight loss and elastic properties change. While the weight loss under normal conditions was minimal in all materials (<3% over nine months), loss under accelerated weight-loss conditions can reach 59%. In the latter case an elasticity modulus increase of up to 500% was measured. Key advantages and limitations of candidate materials were identified and discussed

Elastic properties of porous low-k dielectric nano-films

Science.gov (United States)

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.

An anisotropic thermal-stress model for through-silicon via

Science.gov (United States)

Liu, Song; Shan, Guangbao

2018-02-01

A two-dimensional thermal-stress model of through-silicon via (TSV) is proposed considering the anisotropic elastic property of the silicon substrate. By using the complex variable approach, the distribution of thermal-stress in the substrate can be characterized more accurately. TCAD 3-D simulations are used to verify the model accuracy and well agree with analytical results (model can be integrated into stress-driven design flow for 3-D IC , leading to the more accurate timing analysis considering the thermal-stress effect. Project supported by the Aerospace Advanced Manufacturing Technology Research Joint Fund (No. U1537208).

Elastic properties of ultrathin diamond/AlN membranes

International Nuclear Information System (INIS)

Zuerbig, V.; Hees, J.; Pletschen, W.; Sah, R.E.; Wolfer, M.; Kirste, L.; Heidrich, N.; Nebel, C.E.; Ambacher, O.; Lebedev, V.

2014-01-01

Nanocrystalline diamond- (NCD) and AlN-based ultrathin single layer and bilayer membranes are investigated towards their mechanical properties. It is shown that chemo-mechanical polishing and heavy boron doping of NCD thin films do not impact the elastic properties of NCD layers as revealed by negligible variations of the NCD Young's modulus (E). In addition, it is demonstrated that the combination of NCD elastic layer and AlN piezo-actuator is highly suitable for the fabrication of mechanically stable ultrathin membranes in comparison to AlN single layer membranes. The elastic parameters of NCD/AlN heterostructures are mainly determined by the outstanding high Young's modulus of NCD (E = 1019 ± 19 GPa). Such ultrathin unimorph membranes allow for fabrication of piezo-actuated AlN/NCD microlenses with tunable focus length. - Highlights: • Mechanical properties of nanocrystalline diamond (NCD) and AlN circular membranes • No influence of polishing of NCD thin films on the mechanical properties of NCD • No influence of heavy boron-doping on the mechanical properties of NCD • Demonstration of mechanically stable piezo-actuated NCD/AlN membranes • Reported performance of AlN/NCD microlenses with adjustable focus length

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

Science.gov (United States)

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

2017-07-01

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

The elastic properties of zirconium alloy fuel cladding and pressure tubing materials

International Nuclear Information System (INIS)

Rosinger, H.E.; Northwood, D.O.

1979-01-01

A knowledge of the elastic properties of zirconium alloys is required in the mathematical modelling of cladding and pressure tubing performance. Until recently, little of this type of data was available, particularly at elevated temperatures. The dynamic elastic moduli of zircaloy-2, zircaloy-4, the alloys Zr-1.0 wt%Nb, Zr-2.5 wt%Nb and Marz grade zirconium have therefore been determined over the temperature range 275 to 1000 K. Young's modulus and shear modulus for all the zirconium alloys decrease with temperature and are expressed by empirical relations fitted to the data. The elastic properties are texture dependent and a detailed study has been conducted on the effect of texture on the elastic properties of Zr-1.0 wt% Nb over the temperature range 275 to 775 K. The results are compared with polycrystalline elastic constants computed from single crystal elastic constants, and the effect of texture on the dynamic elastic moduli is discussed in detail. (Auth.)

Elastic properties and electron transport in InAs nanowires

Energy Technology Data Exchange (ETDEWEB)

Migunov, Vadim

2013-02-22

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

Electronic, optical, infrared, and elastic properties of KCdCO3F from first principles

Science.gov (United States)

Huang, Xue-Qian; Xue, Han-Yu; Zhang, Can; Pang, Dong-Dong; Lv, Zhen-Long; Duan, Man-Yi

2018-05-01

KCdCO3F is a newly synthesized promising ultraviolet nonlinear optical crystal, but its structure is disputed and its fundamental properties have not been well studied. Here our first-principles study indicates that the structure with the space group P 6 bar c2 is energetically more stable than the P 6 bar m2 phase. We systematically investigated its electronic, optical, vibrational, infrared, and elastic properties. The results reveal that KCdCO3F is a direct-band-gap insulator with rather flat bands below the Fermi level. Analyses of its partial density of states revealed that the top (bottom) of its valence (conduction) band is formed by the O 2p (Cd 5s) orbital. It is a negative uniaxial crystal with ionic-covalent nature. Both infrared-active and Raman-active modes exist at its Brillouin zone center, and ions contribute more to its static dielectric constants. Its optical spectra in the visual and infrared ranges were studied, and their origins were revealed. Calculations indicate that KCdCO3F is mechanically stable but anisotropic since it is more vulnerable to shear stress and is easy to cleave along the c axis.

Elastic Rock Heterogeneity Controls Brittle Rock Failure during Hydraulic Fracturing

Science.gov (United States)

Langenbruch, C.; Shapiro, S. A.

2014-12-01

For interpretation and inversion of microseismic data it is important to understand, which properties of the reservoir rock control the occurrence probability of brittle rock failure and associated seismicity during hydraulic stimulation. This is especially important, when inverting for key properties like permeability and fracture conductivity. Although it became accepted that seismic events are triggered by fluid flow and the resulting perturbation of the stress field in the reservoir rock, the magnitude of stress perturbations, capable of triggering failure in rocks, can be highly variable. The controlling physical mechanism of this variability is still under discussion. We compare the occurrence of microseismic events at the Cotton Valley gas field to elastic rock heterogeneity, obtained from measurements along the treatment wells. The heterogeneity is characterized by scale invariant fluctuations of elastic properties. We observe that the elastic heterogeneity of the rock formation controls the occurrence of brittle failure. In particular, we find that the density of events is increasing with the Brittleness Index (BI) of the rock, which is defined as a combination of Young's modulus and Poisson's ratio. We evaluate the physical meaning of the BI. By applying geomechanical investigations we characterize the influence of fluctuating elastic properties in rocks on the probability of brittle rock failure. Our analysis is based on the computation of stress fluctuations caused by elastic heterogeneity of rocks. We find that elastic rock heterogeneity causes stress fluctuations of significant magnitude. Moreover, the stress changes necessary to open and reactivate fractures in rocks are strongly related to fluctuations of elastic moduli. Our analysis gives a physical explanation to the observed relation between elastic heterogeneity of the rock formation and the occurrence of brittle failure during hydraulic reservoir stimulations. A crucial factor for understanding

Effects of anisotropic properties on bursting behavior of rectangular cup with a V-notch

Energy Technology Data Exchange (ETDEWEB)

Kim, Jeong Tai [R and D Center, TERA Co. Ltd., Seoul (Korea, Republic of); Kim, Sang Mok [R and D Center, Hyosung Power and Industrial Systems PG, Changwon (Korea, Republic of); Kang, Beom Soo [Dept. of Aerospace Engineering, Pusan National University, Busan (Korea, Republic of); Ku, Tae Wan [Engineering Research Center of Innovative Technology on Advanced Forming, Pusan National University, Busan (Korea, Republic of)

2016-09-15

Effects of mechanical anisotropic properties on bursting failure and its pressure of rectangular deep-drawn cup fabricated by using AA3005-H14 thin sheet are investigated to utilize for electrolyte container of lithium-ion secondary batteries. The V-notch shape with a depth of 0.1 mm and an angle of 20.0 degrees is defined on the rectangular cup, which has a thickness of 0.20 mm on the major surface and that of 0.30 mm on the minor surface. With the measured mechanical properties by uni-axial tensile tests and the defined V-notch geometry, a series of numerical prediction models considering isotropic, planar and normal anisotropic characteristics, are built-up and the bursting simulations are performed. Thereafter, the bursting fracture behavior is investigated by adopting ductile fracture criterion proposed by Cockcroft and Latham. The results predicted for the planar and the normal anisotropic models show that the bursting fracture pressure is well matched to 0.400 MPa, and the isotropic and the planar anisotropic models present a bursting fracture height of about 4.95 mm and 4.92 mm, respectively. A series of experimental investigations are undertaken to verify the bursting deformation that had been predicted. The bursting pressure and its height during experimental verifications are shown to be in good agreement with each variation of about 5.88% and roughly 0.20% with respect to the numerical results obtained using the planar anisotropic model.

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

Directory of Open Access Journals (Sweden)

Xiang Shi

2016-11-01

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

Prediction of elastic properties for polymer-particle nanocomposites exhibiting an interphase

International Nuclear Information System (INIS)

Deng Fei; Van Vliet, Krystyn J

2011-01-01

Particle-polymer nanocomposites often exhibit mechanical properties described poorly by micromechanical models that include only the particle and matrix phases. Existence of an interfacial region between the particle and matrix, or interphase, has been posited and indirectly demonstrated to account for this effect. Here, we present a straightforward analytical approach to estimate effective elastic properties of composites comprising particles encapsulated by an interphase of finite thickness and distinct elastic properties. This explicit solution can treat nanocomposites that comprise either physically isolated nanoparticles or agglomerates of such nanoparticles; the same framework can also treat physically isolated nanoparticle aggregates or agglomerates of such aggregates. We find that the predicted elastic moduli agree with experiments for three types of particle-polymer nanocomposites, and that the predicted interphase thickness and stiffness of carbon black-rubber nanocomposites are consistent with measured values. Finally, we discuss the relative influence of the particle-polymer interphase thickness and stiffness to identify maximum possible changes in the macroscale elastic properties of such materials.

Nonlinear and anisotropic tensile properties of graft materials used in soft tissue applications.

Science.gov (United States)

Yoder, Jonathon H; Elliott, Dawn M

2010-05-01

The mechanical properties of extracellular matrix grafts that are intended to augment or replace soft tissues should be comparable to the native tissue. Such grafts are often used in fiber-reinforced tissue applications that undergo multi-axial loading and therefore knowledge of the anisotropic and nonlinear properties are needed, including the moduli and Poisson's ratio in two orthogonal directions within the plane of the graft. The objective of this study was to measure the tensile mechanical properties of several marketed grafts: Alloderm, Restore, CuffPatch, and OrthADAPT. The degree of anisotropy and non-linearity within each graft was evaluated from uniaxial tensile tests and compared to their native tissue. The Alloderm graft was anisotropic in both the toe- and linear-region of the stress-strain response, was highly nonlinear, and generally had low properties. The Restore and CuffPatch grafts had similar stress-strain responses, were largely isotropic, had a linear-region modulus of 18MPa, and were nonlinear. OrthADAPT was anisotropic in the linear-region (131 MPA vs 47MPa in the toe-region) and was highly nonlinear. The Poisson ratio for all grafts was between 0.4 and 0.7, except for the parallel orientation of Restore which was greater than 1.0. Having an informed understanding of how the available grafts perform mechanically will allow for better assessment by the physician for which graft to apply depending upon its application. Copyright 2010 Elsevier Ltd. All rights reserved.

The boundary element method applied to 3D magneto-electro-elastic dynamic problems

Science.gov (United States)

Igumnov, L. A.; Markov, I. P.; Kuznetsov, Iu A.

2017-11-01

Due to the coupling properties, the magneto-electro-elastic materials possess a wide number of applications. They exhibit general anisotropic behaviour. Three-dimensional transient analyses of magneto-electro-elastic solids can hardly be found in the literature. 3D direct boundary element formulation based on the weakly-singular boundary integral equations in Laplace domain is presented in this work for solving dynamic linear magneto-electro-elastic problems. Integral expressions of the three-dimensional fundamental solutions are employed. Spatial discretization is based on a collocation method with mixed boundary elements. Convolution quadrature method is used as a numerical inverse Laplace transform scheme to obtain time domain solutions. Numerical examples are provided to illustrate the capability of the proposed approach to treat highly dynamic problems.

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

Directory of Open Access Journals (Sweden)

P.O. Judt

2015-10-01

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

Elastic and Mechanical Properties of the MAX Phases

Science.gov (United States)

Barsoum, Michel W.; Radovic, Miladin

2011-08-01

The more than 60 ternary carbides and nitrides, with the general formula Mn+1AXn—where n = 1, 2, or 3; M is an early transition metal; A is an A-group element (a subset of groups 13-16); and X is C and/or N—represent a new class of layered solids, where Mn+1Xn layers are interleaved with pure A-group element layers. The growing interest in the Mn+1AXn phases lies in their unusual, and sometimes unique, set of properties that can be traced back to their layered nature and the fact that basal dislocations multiply and are mobile at room temperature. Because of their chemical and structural similarities, the MAX phases and their corresponding MX phases share many physical and chemical properties. In this paper we review our current understanding of the elastic and mechanical properties of bulk MAX phases where they differ significantly from their MX counterparts. Elastically the MAX phases are in general quite stiff and elastically isotropic. The MAX phases are relatively soft (2-8 GPa), are most readily machinable, and are damage tolerant. Some of them are also lightweight and resistant to thermal shock, oxidation, fatigue, and creep. In addition, they behave as nonlinear elastic solids, dissipating 25% of the mechanical energy during compressive cycling loading of up to 1 GPa at room temperature. At higher temperatures, they undergo a brittle-to-plastic transition, and their mechanical behavior is a strong function of deformation rate.

A Comuputerized DRBEM model for generalized magneto-thermo-visco-elastic stress waves in functionally graded anisotropic thin film/substrate structures

Directory of Open Access Journals (Sweden)

Mohamed Abdelsabour Fahmy

Full Text Available A numerical computer model, based on the dual reciprocity boundary element method (DRBEM for studying the generalized magneto-thermo-visco-elastic stress waves in a rotating functionally graded anisotropic thin film/substrate structure under pulsed laser irradiation is established. An implicit-implicit staggered algorithm was proposed and implemented for use with the DRBEM to get the solution for the temperature, displacement components and thermal stress components through the structure thickness. A comparison of the results for different theories is presented in the presence and absence of rotation. Some numerical results that demonstrate the validity of the proposed method are also presented.

Identification of elastic properties of composite plate

International Nuclear Information System (INIS)

Kovalovs, A; Rucevskis, S

2011-01-01

Composite laminates are used extensively in the aerospace industry, especially for the fabrication of high-performance structures. The determination of stiffness parameters for complex materials, such as fibre-reinforced composites, is much more complicated than for isotropic materials. A conventional way is testing the coupon specimens, which are manufactured by technology similar to that used for the real, large structures. When such a method is used, the question arises of whether the material properties obtained from the coupon tests are the same as those in the large structure. Therefore, the determination of actual material properties for composite laminates using non-destructive evaluation techniques has been widely investigated. A number of various non-destructive evaluation techniques have been proposed for determining the material properties of composite laminates. In the present study, attention is focused on the identification of the elastic properties of laminated plate using vibration test data. The problem associated with vibration testing is converting the measured modal frequencies to elastic constants. A standard method for solving this problem is the use of a numerical-experimental model and optimization techniques. The identification functional represents the gap between the numerical model response and the experimental one. This gap should be minimized, taking into account the side constraints on the design variables (elastic constants). The minimization problem is solved by using non-linear mathematical programming techniques and sensitivity analysis. The results obtained were verified by comparing the experimentally measured eigenfrequencies with the numerical ones obtained by FEM at the point of optima

Homogenized Elastic Properties of Graphene for Small Deformations

Directory of Open Access Journals (Sweden)

Jurica Sorić

2013-09-01

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

Elastic Characterization of Transversely Isotropic Soft Materials by Dynamic Shear and Asymmetric Indentation

OpenAIRE

Namani, R.; Feng, Y.; Okamoto, R. J.; Jesuraj, N.; Sakiyama-Elbert, S. E.; Genin, G. M.; Bayly, P. V.

2012-01-01

The mechanical characterization of soft anisotropic materials is a fundamental challenge because of difficulties in applying mechanical loads to soft matter and the need to combine information from multiple tests. A method to characterize the linear elastic properties of transversely isotropic soft materials is proposed, based on the combination of dynamic shear testing (DST) and asymmetric indentation. The procedure was demonstrated by characterizing a nearly incompressible transversely isot...

Elastic Properties of Nucleic Acids by Single-Molecule Force Spectroscopy.

Science.gov (United States)

Camunas-Soler, Joan; Ribezzi-Crivellari, Marco; Ritort, Felix

2016-07-05

We review the current knowledge on the use of single-molecule force spectroscopy techniques to extrapolate the elastic properties of nucleic acids. We emphasize the lesser-known elastic properties of single-stranded DNA. We discuss the importance of accurately determining the elastic response in pulling experiments, and we review the simplest models used to rationalize the experimental data as well as the experimental approaches used to pull single-stranded DNA. Applications used to investigate DNA conformational transitions and secondary structure formation are also highlighted. Finally, we provide an overview of the effects of salt and temperature and briefly discuss the effects of contour length and sequence dependence.

Measurement of in-plane elasticity of live cell layers using a pressure sensor embedded microfluidic device

Science.gov (United States)

Lin, Chien-Han; Wang, Chien-Kai; Chen, Yu-An; Peng, Chien-Chung; Liao, Wei-Hao; Tung, Yi-Chung

2016-11-01

In various physiological activities, cells experience stresses along their in-plane direction when facing substrate deformation. Capability of continuous monitoring elasticity of live cell layers during a period is highly desired to investigate cell property variation during various transformations under normal or disease states. This paper reports time-lapsed measurement of live cell layer in-plane elasticity using a pressure sensor embedded microfluidic device. The sensor converts pressure-induced deformation of a flexible membrane to electrical signals. When cells are cultured on top of the membrane, flexural rigidity of the composite membrane increases and further changes the output electrical signals. In the experiments, human embryonic lung fibroblast (MRC-5) cells are cultured and analyzed to estimate the in-plane elasticity. In addition, the cells are treated with a growth factor to simulate lung fibrosis to study the effects of cell transformation on the elasticity variation. For comparison, elasticity measurement on the cells by atomic force microscopy (AFM) is also performed. The experimental results confirm highly anisotropic configuration and material properties of cells. Furthermore, the in-plane elasticity can be monitored during the cell transformation after the growth factor stimulation. Consequently, the developed microfluidic device provides a powerful tool to study physical properties of cells for fundamental biophysics and biomedical researches.

Anisotropic polyvinyl alcohol hydrogel phantom for shear wave elastography in fibrous biological soft tissue: a multimodality characterization

International Nuclear Information System (INIS)

Chatelin, Simon; Bernal, Miguel; Deffieux, Thomas; Papadacci, Clément; Nahas, Amir; Boccara, Claude; Gennisson, Jean-Luc; Tanter, Mickael; Pernot, Mathieu; Flaud, Patrice

2014-01-01

Shear wave elastography imaging techniques provide quantitative measurement of soft tissues elastic properties. Tendons, muscles and cerebral tissues are composed of fibers, which induce a strong anisotropic effect on the mechanical behavior. Currently, these tissues cannot be accurately represented by existing elastography phantoms. Recently, a novel approach for orthotropic hydrogel mimicking soft tissues has been developed (Millon et al 2006 J. Biomed. Mater. Res. B 305–11). The mechanical anisotropy is induced in a polyvinyl alcohol (PVA) cryogel by stretching the physical crosslinks of the polymeric chains while undergoing freeze/thaw cycles. In the present study we propose an original multimodality imaging characterization of this new transverse isotropic (TI) PVA hydrogel. Multiple properties were investigated using a large variety of techniques at different scales compared with an isotropic PVA hydrogel undergoing similar imaging and rheology protocols. The anisotropic mechanical (dynamic and static) properties were studied using supersonic shear wave imaging technique, full-field optical coherence tomography (FFOCT) strain imaging and classical linear rheometry using dynamic mechanical analysis. The anisotropic optical and ultrasonic spatial coherence properties were measured by FFOCT volumetric imaging and backscatter tensor imaging, respectively. Correlation of mechanical and optical properties demonstrates the complementarity of these techniques for the study of anisotropy on a multi-scale range as well as the potential of this TI phantom as fibrous tissue-mimicking phantom for shear wave elastographic applications. (paper)

Anisotropic polyvinyl alcohol hydrogel phantom for shear wave elastography in fibrous biological soft tissue: a multimodality characterization

Science.gov (United States)

Chatelin, Simon; Bernal, Miguel; Deffieux, Thomas; Papadacci, Clément; Flaud, Patrice; Nahas, Amir; Boccara, Claude; Gennisson, Jean-Luc; Tanter, Mickael; Pernot, Mathieu

2014-11-01

Shear wave elastography imaging techniques provide quantitative measurement of soft tissues elastic properties. Tendons, muscles and cerebral tissues are composed of fibers, which induce a strong anisotropic effect on the mechanical behavior. Currently, these tissues cannot be accurately represented by existing elastography phantoms. Recently, a novel approach for orthotropic hydrogel mimicking soft tissues has been developed (Millon et al 2006 J. Biomed. Mater. Res. B 305-11). The mechanical anisotropy is induced in a polyvinyl alcohol (PVA) cryogel by stretching the physical crosslinks of the polymeric chains while undergoing freeze/thaw cycles. In the present study we propose an original multimodality imaging characterization of this new transverse isotropic (TI) PVA hydrogel. Multiple properties were investigated using a large variety of techniques at different scales compared with an isotropic PVA hydrogel undergoing similar imaging and rheology protocols. The anisotropic mechanical (dynamic and static) properties were studied using supersonic shear wave imaging technique, full-field optical coherence tomography (FFOCT) strain imaging and classical linear rheometry using dynamic mechanical analysis. The anisotropic optical and ultrasonic spatial coherence properties were measured by FFOCT volumetric imaging and backscatter tensor imaging, respectively. Correlation of mechanical and optical properties demonstrates the complementarity of these techniques for the study of anisotropy on a multi-scale range as well as the potential of this TI phantom as fibrous tissue-mimicking phantom for shear wave elastographic applications.

Seismic transmission operator reciprocity - II: impedance-operator symmetry via elastic lateral modes

Science.gov (United States)

Thomson, C. J.

2015-08-01

The properties of the overburden transmission response are of particular interest for the analysis of reflectivity illumination or blurring in seismic depth imaging. The first step to showing a transmission-operator reciprocity property is to identify the symmetry of the so-called displacement-to-traction operators. The latter are analogous to Dirichlet-to-Neumann operators and they may also be called impedance operators. Their symmetry is deduced here after development of a formal spectral or modal theory of lateral wavefunctions in a laterally heterogeneous generally anisotropic elastic medium. The elastic lateral modes are displacement-traction 6-vectors and they are built from two auxiliary 3-vector lateral-mode bases. These auxiliary modes arise from Hermitian and anti-Hermitian operators, so they have familiar properties such as orthogonality. There is no assumption of down/up symmetry of the elasticity tensor, but basic assumptions are made about the existence and completeness of the elastic modes. A point-symmetry property appears and plays a central role. The 6-vector elastic modes have a symplectic orthogonality property, which facilitates the development of modal expansions for 6-vector functions of the lateral coordinates when completeness is assumed. While the elastic modal theory is consistent with the laterally homogeneous case, numerical work would provide confidence that it is correct in general. An appendix contains an introductory overview of acoustic lateral modes that were studied by other authors, given from the perspective of this new work. A distinction is drawn between unit normalization of scalar auxiliary modes and a separate energy-flux normalization of 2-vector acoustic modes. Neither is crucial to the form of acoustic pressure-to-velocity or impedance operators. This statement carries over to the elastic case for the 3-vector auxiliary- and 6-vector elastic-mode normalizations. The modal theory is used to construct the kernel of the

Structural phase transition and elastic properties of mercury chalcogenides

Energy Technology Data Exchange (ETDEWEB)

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

2012-08-15

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

Directional radiative properties of anisotropic rough silicon and gold surfaces

Energy Technology Data Exchange (ETDEWEB)

Lee, H.J.; Chen, Y.B.; Zhang, Z.M. [George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA 30332 (United States)

2006-11-15

Recent studies have shown that the topography of some chemically etched microrough silicon surfaces is non-Gaussian and may be strongly anisotropic. However, the bidirectional reflectance distribution function (BRDF) of anisotropic surfaces has not been fully understood. The present study uses the Monte Carlo method to investigate the out-of-plane BRDF, multiple scattering, and the change of the polarization state upon reflection. Two ray-tracing algorithms are developed that incorporate the surface topography or slope distribution of the samples obtained by the use of an atomic force microscope. The predicted BRDFs for silicon surfaces with or without a gold coating are in reasonable agreement with the results measured using a laser scatterometer at a wavelength of 635nm. The employment of surface topographic data is indispensable to the BRDF modeling of anisotropic surfaces. While first-order scattering makes the dominant contribution to reflections from the studied surfaces, it is critical to consider the polarization state change in order to correctly predict the out-of-plane BRDF. The versatile Monte Carlo modeling tools developed through the present study help gain a better understanding of the directional radiative properties of microrough surfaces and, furthermore, will have an impact on thermal metrology in the semiconductor industry. (author)

First-Principle Calculations for Elastic and Thermodynamic Properties of Diamond

International Nuclear Information System (INIS)

Fu Zhijian; Chen Xiangrong; Gou Qingquan; Ji Guangfu

2009-01-01

The elastic constants and thermodynamic properties of diamond are investigated by using the CRYSTAL03 program. The lattice parameters, the bulk modulus, the heat capacity, the Grueneisen parameter, and the Debye temperature are obtained. The results are in good agreement with the available experimental and theoretical data. Moreover, the relationship between V/V 0 and pressure, the elastic constants under high pressure are successfully obtained. Especially, the elastic constants of diamond under high pressure are firstly obtained theoretically. At the same time, the variations of the thermal expansion α with pressure P and temperature Tare obtained systematically in the ranges of 0-870 GPa and 0-1600 K. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Electronic, elastic, and optical properties of monolayer BC{sub 2}N

Energy Technology Data Exchange (ETDEWEB)

Jiao, Lina; Hu, Meng; Peng, Yusi; Luo, Yanting; Li, Chunmei; Chen, Zhiqian, E-mail: chen_zq@swu.edu.cn

2016-12-15

The structural stability, electronic structure, elasticity, and optical properties of four types of monolayer BC{sub 2}N have been investigated from first principles using calculation based on density functional theory. The results show that the structural stability of BC{sub 2}N increases with the number of C–C and B–N bonds. By calculating the two-dimensional Young's modulus, shear modulus, Poisson's ratio, and shear anisotropic factors in different directions, four structures present various anisotropies and the most stable structure is almost isotropic. For C-type BC{sub 2}N, the values of two-dimensional Young's modulus, shear modulus, and bulk modulus (309, 128, 195 GPa m{sup −1}), are smaller than those of graphene (343, 151, 208) but bigger than those of h-BN (286, 185, 116). Furthermore, the dielectric function, refractive index, reflectivity, absorption coefficient, and energy loss spectrum are also calculated to investigate the mechanism underpinning the optical transitions in BC{sub 2}N, revealing monolayer BC{sub 2}N as a candidate window material. - Graphical abstract: Schematic diagram of BC{sub 2}N under the biaxial tensile strain. Changes in the valence-band top and the conduction-band bottom of BC{sub 2}N with increasing strain.

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

International Nuclear Information System (INIS)

Bierwagen, O.

2007-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Bierwagen, O.

2007-12-20

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

Wave velocities in a pre-stressed anisotropic elastic medium

Indian Academy of Sciences (India)

Modified Christoffel equations are derived for three-dimensional wave propagation in a general anisotropic medium under initial stress.The three roots of a cubic equation define the phase velocities of three quasi-waves in the medium.Analytical expressions are used to calculate the directional derivatives of phase ...

Macroscopic anisotropic bone material properties in children with severe osteogenesis imperfecta.

Science.gov (United States)

Albert, Carolyne; Jameson, John; Tarima, Sergey; Smith, Peter; Harris, Gerald

2017-11-07

Children with severe osteogenesis imperfecta (OI) typically experience numerous fractures and progressive skeletal deformities over their lifetime. Recent studies proposed finite element models to assess fracture risk and guide clinicians in determining appropriate intervention in children with OI, but lack of appropriate material property inputs remains a challenge. This study aimed to characterize macroscopic anisotropic cortical bone material properties and investigate relationships with bone density measures in children with severe OI. Specimens were obtained from tibial or femoral shafts of nine children with severe OI and five controls. The specimens were cut into beams, characterized in bending, and imaged by synchrotron radiation X-ray micro-computed tomography. Longitudinal modulus of elasticity, yield strength, and bending strength were 32-65% lower in the OI group (p<0.001). Yield strain did not differ between groups (p≥0.197). In both groups, modulus and strength were lower in the transverse direction (p≤0.009), but anisotropy was less pronounced in the OI group. Intracortical vascular porosity was almost six times higher in the OI group (p<0.001), but no differences were observed in osteocyte lacunar porosity between the groups (p=0.086). Volumetric bone mineral density was lower in the OI group (p<0.001), but volumetric tissue mineral density was not (p=0.770). Longitudinal OI bone modulus and strength were correlated with volumetric bone mineral density (p≤0.024) but not volumetric tissue mineral density (p≥0.099). Results indicate that cortical bone in children with severe OI yields at the same strain as normal bone, and that their decreased bone material strength is associated with reduced volumetric bone mineral density. These results will enable the advancement of fracture risk assessment capability in children with severe OI. Copyright © 2017 Elsevier Ltd. All rights reserved.

Elastic constants and internal friction of fiber-reinforced composites

International Nuclear Information System (INIS)

Ledbetter, H.M.

1982-01-01

We review recent experimental studies at NBS on the anisotropic elastic constants and internal friction of fiber-reinforced composites. Materials that were studied include: boron-aluminum, boron-epoxy, graphite-epoxy, glass-epoxy, and aramid-epoxy. In all cases, elastic-constant direction dependence could be described by relationships developed for single crystals of homogeneous materials. Elastic stiffness and internal friction were found to vary inversely

Elastic Properties and Stability of Physisorbed Graphene

Directory of Open Access Journals (Sweden)

Philippe Lambin

2014-05-01

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

Elastic properties of rigid fiber-reinforced composites

Science.gov (United States)

Chen, J.; Thorpe, M. F.; Davis, L. C.

1995-05-01

We study the elastic properties of rigid fiber-reinforced composites with perfect bonding between fibers and matrix, and also with sliding boundary conditions. In the dilute region, there exists an exact analytical solution. Around the rigidity threshold we find the elastic moduli and Poisson's ratio by decomposing the deformation into a compression mode and a rotation mode. For perfect bonding, both modes are important, whereas only the compression mode is operative for sliding boundary conditions. We employ the digital-image-based method and a finite element analysis to perform computer simulations which confirm our analytical predictions.

A first principles study of the electronic structure, elastic and thermal properties of UB{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Jossou, Ericmoore, E-mail: ericmoore.jossou@usask.ca [Department of Mechanical Engineering, College of Engineering, University of Saskatchewan, 57 Campus Drive, Saskatoon, S7N 5A9, Saskatchewan (Canada); Malakkal, Linu [Department of Mechanical Engineering, College of Engineering, University of Saskatchewan, 57 Campus Drive, Saskatoon, S7N 5A9, Saskatchewan (Canada); Szpunar, Barbara; Oladimeji, Dotun [Department of Physics and Engineering Physics, College of Art and Science, University of Saskatchewan, 116 Science Place, Saskatoon, S7N 5E2, Saskatchewan (Canada); Szpunar, Jerzy A. [Department of Mechanical Engineering, College of Engineering, University of Saskatchewan, 57 Campus Drive, Saskatoon, S7N 5A9, Saskatchewan (Canada)

2017-07-15

Uranium diboride (UB{sub 2}) has been widely deployed for refractory use and is a proposed material for Accident Tolerant Fuel (ATF) due to its high thermal conductivity. However, the applicability of UB{sub 2} towards high temperature usage in a nuclear reactor requires the need to investigate the thermomechanical properties, and recent studies have failed in highlighting applicable properties. In this work, we present an in-depth theoretical outlook of the structural and thermophysical properties of UB{sub 2}, including but not limited to elastic, electronic and thermal transport properties. These calculations were performed within the framework of Density Functional Theory (DFT) + U approach, using Quantum ESPRESSO (QE) code considering the addition of Coulomb correlations on the uranium atom. The phonon spectra and elastic constant analysis show the dynamic and mechanical stability of UB{sub 2} structure respectively. The electronic structure of UB{sub 2} was investigated using full potential linear augmented plane waves plus local orbitals method (FP-LAPW+lo) as implemented in WIEN2k code. The absence of a band gap in the total and partial density of states confirms the metallic nature while the valence electron density plot reveals the presence of covalent bond between adjacent B-B atoms. We predicted the lattice thermal conductivity (k{sub L}) by solving Boltzmann Transport Equation (BTE) using ShengBTE. The second order harmonic and third-order anharmonic interatomic force constants required as input to ShengBTE was calculated using the Density-functional perturbation theory (DFPT). However, we predicted the electronic thermal conductivity (k{sub el}) using Wiedemann-Franz law as implemented in Boltztrap code. We also show that the sound velocity along ‘a’ and ‘c’ axes exhibit high anisotropy, which accounts for the anisotropic thermal conductivity of UB{sub 2}. - Highlights: •Prediction of electronic structure and thermophysical properties of UB

Extrapolation of bulk rock elastic moduli of different rock types to high pressure conditions and comparison with texture-derived elastic moduli

Science.gov (United States)

Ullemeyer, Klaus; Lokajíček, Tomás; Vasin, Roman N.; Keppler, Ruth; Behrmann, Jan H.

2018-02-01

In this study elastic moduli of three different rock types of simple (calcite marble) and more complex (amphibolite, micaschist) mineralogical compositions were determined by modeling of elastic moduli using texture (crystallographic preferred orientation; CPO) data, experimental investigation and extrapolation. 3D models were calculated using single crystal elastic moduli, and CPO measured using time-of-flight neutron diffraction at the SKAT diffractometer in Dubna (Russia) and subsequently analyzed using Rietveld Texture Analysis. To define extrinsic factors influencing elastic behaviour, P-wave and S-wave velocity anisotropies were experimentally determined at 200, 400 and 600 MPa confining pressure. Functions describing variations of the elastic moduli with confining pressure were then used to predict elastic properties at 1000 MPa, revealing anisotropies in a supposedly crack-free medium. In the calcite marble elastic anisotropy is dominated by the CPO. Velocities continuously increase, while anisotropies decrease from measured, over extrapolated to CPO derived data. Differences in velocity patterns with sample orientation suggest that the foliation forms an important mechanical anisotropy. The amphibolite sample shows similar magnitudes of extrapolated and CPO derived velocities, however the pattern of CPO derived velocity is closer to that measured at 200 MPa. Anisotropy decreases from the extrapolated to the CPO derived data. In the micaschist, velocities are higher and anisotropies are lower in the extrapolated data, in comparison to the data from measurements at lower pressures. Generally our results show that predictions for the elastic behavior of rocks at great depths are possible based on experimental data and those computed from CPO. The elastic properties of the lower crust can, thus, be characterized with an improved degree of confidence using extrapolations. Anisotropically distributed spherical micro-pores are likely to be preserved, affecting

Method of determining elastic and plastic mechanical properties of ceramic materials using spherical indenters

Science.gov (United States)

Adler, Thomas A.

1996-01-01

The invention pertains a method of determining elastic and plastic mechanical properties of ceramics, intermetallics, metals, plastics and other hard, brittle materials which fracture prior to plastically deforming when loads are applied. Elastic and plastic mechanical properties of ceramic materials are determined using spherical indenters. The method is most useful for measuring and calculating the plastic and elastic deformation of hard, brittle materials with low values of elastic modulus to hardness.

X-Ray Elastic Constants for Cubic Materials

Energy Technology Data Exchange (ETDEWEB)

Malen, K.

1974-10-15

The stress-strain relation to be used in X-ray stress measurements in anisotropic texture-free media is studied. The method for evaluation of appropriate elastic constants for a cubic medium is described. Some illustrative numerical examples have been worked out including line broadening due to elastic anisotropy. The elastic stress and strain compatibility at grain boundaries is taken into account using Kroner's method. These elastic constants obviously only apply when no internal stresses due to plastic deformation are present. The case of reorientation of free interstitials in the stress field can be taken into account

X-Ray Elastic Constants for Cubic Materials

International Nuclear Information System (INIS)

Malen, K.

1974-10-01

The stress-strain relation to be used in X-ray stress measurements in anisotropic texture-free media is studied. The method for evaluation of appropriate elastic constants for a cubic medium is described. Some illustrative numerical examples have been worked out including line broadening due to elastic anisotropy. The elastic stress and strain compatibility at grain boundaries is taken into account using Kroner's method. These elastic constants obviously only apply when no internal stresses due to plastic deformation are present. The case of reorientation of free interstitials in the stress field can be taken into account

X-Ray Elastic Constants for Cubic Materials

Energy Technology Data Exchange (ETDEWEB)

Malen, K

1974-10-15

The stress-strain relation to be used in X-ray stress measurements in anisotropic texture-free media is studied. The method for evaluation of appropriate elastic constants for a cubic medium is described. Some illustrative numerical examples have been worked out including line broadening due to elastic anisotropy. The elastic stress and strain compatibility at grain boundaries is taken into account using Kroner's method. These elastic constants obviously only apply when no internal stresses due to plastic deformation are present. The case of reorientation of free interstitials in the stress field can be taken into account

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

CERN Document Server

Thostenson, E T

2003-01-01

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

Some properties of the Boltzmann elastic collision operator

International Nuclear Information System (INIS)

Delcroix, J. L.; Salmon, J.

1959-01-01

The authors point out some properties (an important one is a variational property) of the Boltzmann elastic collision operator, valid in a more general framework than that of the Lorentz gas. Reprint of a paper published in 'Le journal de physique et le radium', tome 20, Jun 1959, p. 594-596 [fr

Extremal Overall Elastic Response of Polycrystalline Materials

DEFF Research Database (Denmark)

Bendsøe, Martin P; Lipton, Robert

1996-01-01

Polycrystalline materials comprised of grains obtained froma single anisotropic material are considered in the frameworkof linear elasticity. No assumptions on the symmetry of thepolycrystal are made. We subject the material to independentexternal strain and stress fields with prescribed mean...... values.We show that the extremal overall elastic response is alwaysachieved by a configuration consisting of a single properlyoriented crystal. This result is compared to results for isotropicpolycrystals....

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

Energy Technology Data Exchange (ETDEWEB)

Umeda, Minoru, E-mail: mumeda@vos.nagaokaut.ac.jp [Nagaoka University of Technology, Kamitomioka, Nagaoka, Niigata 940-2188 (Japan); Katagiri, Mitsuhiko; Shironita, Sayoko [Nagaoka University of Technology, Kamitomioka, Nagaoka, Niigata 940-2188 (Japan); Nagayama, Norio [Nagaoka University of Technology, Kamitomioka, Nagaoka, Niigata 940-2188 (Japan); Ricoh Company, Ltd., Nishisawada, Numazu, Shizuoka 410-0007 (Japan)

2016-12-01

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

First-Principles Investigations of the Structural, Anisotropic Mechanical, Thermodynamic and Electronic Properties of the AlNi2Ti Compound

Directory of Open Access Journals (Sweden)

Shuli Tang

2018-02-01

Full Text Available In this paper, the electronic, mechanical and thermodynamic properties of AlNi2Ti are studied by first-principles calculations in order to reveal the influence of AlNi2Ti as an interfacial phase on ZTA (zirconia toughened alumina/Fe. The results show that AlNi2Ti has relatively high mechanical properties, which will benefit the impact or wear resistance of the ZTA/Fe composite. The values of bulk, shear and Young’s modulus are 164.2, 63.2 and 168.1 GPa respectively, and the hardness of AlNi2Ti (4.4 GPa is comparable to common ferrous materials. The intrinsic ductile nature and strong metallic bonding character of AlNi2Ti are confirmed by B/G and Poisson’s ratio. AlNi2Ti shows isotropy bulk modulus and anisotropic elasticity in different crystallographic directions. At room temperature, the linear thermal expansion coefficient (LTEC of AlNi2Ti estimated by quasi-harmonic approximation (QHA based on Debye model is 10.6 × 10−6 K−1, close to LTECs of zirconia toughened alumina and iron. Therefore, the thermal matching of ZTA/Fe composite with AlNi2Ti interfacial phase can be improved. Other thermodynamic properties including Debye temperature, sound velocity, thermal conductivity and heat capacity, as well as electronic properties, are also calculated.

Elastic properties of liquid and solid argon in nanopores

International Nuclear Information System (INIS)

Schappert, Klaus; Pelster, Rolf

2013-01-01

We have measured sorption isotherms and determined the intrinsic longitudinal elastic modulus β Ar,ads of nanoconfined material via ultrasonic measurements combined with a special effective medium analysis. In the liquid regime the adsorbate only contributes to the measured effective properties when the pores are completely filled and the modulus is bulklike. At partial fillings its contribution is cancelled out by the high compressibility of the vapour phase. In contrast, at lower temperatures frozen argon as well as underlying liquid surface layers cause a linear increase of the effective longitudinal modulus upon filling. During sorption the contribution of the liquid surface layers near the pore wall β Ar,surf increases with the thickness of the solid layers reaching the bulk value β Ar,liquid only in the limit of complete pore filling. We interpret this effect as due to the gradual stiffening of the solid argon membrane. The measurements and their analysis show that longitudinal ultrasonic waves are well suited to the study of the elastic properties and liquid–solid phase transitions in porous systems. This method should also help to detect the influence of nanoconfinement on elastic properties in further research. (paper)

Propagation law of impact elastic wave based on specific materials

Directory of Open Access Journals (Sweden)

Chunmin CHEN

2017-02-01

Full Text Available In order to explore the propagation law of the impact elastic wave on the platform, the experimental platform is built by using the specific isotropic materials and anisotropic materials. The glass cloth epoxy laminated plate is used for anisotropic material, and an organic glass plate is used for isotropic material. The PVDF sensors adhered on the specific materials are utilized to collect data, and the elastic wave propagation law of different thick plates and laminated plates under impact conditions is analyzed. The Experimental results show that in anisotropic material, transverse wave propagation speed along the fiber arrangement direction is the fastest, while longitudinal wave propagation speed is the slowest. The longitudinal wave propagation speed in anisotropic laminates is much slower than that in the laminated thick plates. In the test channel arranged along a particular angle away from the central region of the material, transverse wave propagation speed is larger. Based on the experimental results, this paper proposes a material combination mode which is advantageous to elastic wave propagation and diffusion in shock-isolating materials. It is proposed to design a composite material with high acoustic velocity by adding regularly arranged fibrous materials. The overall design of the barrier material is a layered structure and a certain number of 90°zigzag structure.

Anisotropic Effective Mass, Optical Property, and Enhanced Band Gap in BN/Phosphorene/BN Heterostructures.

Science.gov (United States)

Hu, Tao; Hong, Jisang

2015-10-28

Phosphorene is receiving great research interests because of its peculiar physical properties. Nonetheless, the phosphorus has a trouble of degradation due to oxidation. Hereby, we propose that the electrical and optical anisotropic properties can be preserved by encapsulating into hexagonal boron nitride (h-BN). We found that the h-BN contributed to enhancing the band gap of the phosphorene layer. Comparing the band gap of the pristine phosphorene layer, the band gap of the phosphorene/BN(1ML) system was enhanced by 0.15 eV. It was further enhanced by 0.31 eV in the BN(1ML)/phosphorene/BN(1ML) trilayer structure. However, the band gap was not further enhanced when we increased the thickness of the h-BN layers even up to 4 MLs. Interestingly, the anisotropic effective mass and optical property were still preserved in BN/phosphorene/BN heterostructures. Overall, we predict that the capping of phosphorene by the h-BN layers can be an excellent solution to protect the intrinsic properties of the phosphorene.

Elastic properties of thin poly(vinyl alcohol)–cellulose nanocrystal membranes

International Nuclear Information System (INIS)

Pakzad, A; Yassar, R S; Simonsen, J

2012-01-01

In spite of extensive studies on the preparation and characterization of nanocomposite materials, the correlation of their properties at the nanoscale with those in bulk is a relatively unexplored area. This is of great importance, especially for materials with potential biomedical applications, where surface properties are as important in determining their applicability as bulk characteristics. In this study, the nanomechanical characteristics of thin poly(vinyl alcohol) (PVOH)–poly(acrylic acid) (PAA)–cellulose nanocrystal (CNC) membranes were studied using the nanoindentation module in an atomic force microscope (AFM) and the properties were compared with the macro-scale properties obtained by tensile tests. In general, the elastic properties measured by nanoindentation followed the same trend as macro-scale tensile tests except for the PVOH 85-PAA 0-CNC 15 sample. In comparison to the macro-scale elastic properties, the measured elastic moduli with AFM were higher. Macro-scale tensile test results indicated that, in the presence of PAA, incorporation of CNCs up to 20 wt% improved the elastic modulus of PVOH, but when no PAA was added, increasing the CNC content above 10 wt% resulted in their agglomeration and degradation in mechanical properties of PVOH. The discrepancy between macro-scale tensile tests and nanoindentation in the PVOH 85-PAA 0-CNC 15 sample was correlated to the high degree of inhomogeneity of CNC dispersion in the matrix. It was found that the composites reinforced with cellulose nanocrystals had smaller indentation imprints and the pile-up effect increased with the increase of cellulose nanocrystal content. (paper)

Measuring anisotropic muscle stiffness properties using elastography.

Science.gov (United States)

Green, M A; Geng, G; Qin, E; Sinkus, R; Gandevia, S C; Bilston, L E

2013-11-01

Physiological and pathological changes to the anisotropic mechanical properties of skeletal muscle are still largely unknown, with only a few studies quantifying changes in vivo. This study used the noninvasive MR elastography (MRE) technique, in combination with diffusion tensor imaging (DTI), to measure shear modulus anisotropy in the human skeletal muscle in the lower leg. Shear modulus measurements parallel and perpendicular to the fibre direction were made in 10 healthy subjects in the medial gastrocnemius, soleus and tibialis anterior muscles. The results showed significant differences in the medial gastrocnemius (μ‖ = 0.86 ± 0.15 kPa; μ⊥ = 0.66 ± 0.19 kPa, P < 0.001), soleus (μ‖ = 0.83 ± 0.22 kPa; μ⊥ = 0.65 ± 0.13 kPa, P < 0.001) and the tibialis anterior (μ‖ = 0.78 ± 0.24 kPa; μ⊥ = 0.66 ± 0.16 kPa, P = 0.03) muscles, where the shear modulus measured in the direction parallel is greater than that measured in the direction perpendicular to the muscle fibres. No significant differences were measured across muscle groups. This study provides the first direct estimates of the anisotropic shear modulus in the triceps surae muscle group, and shows that the technique may be useful for the probing of mechanical anisotropy changes caused by disease, aging and injury. Copyright © 2013 John Wiley & Sons, Ltd.

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

KAUST Repository

Goudarzy, M.

2017-07-20

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

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

DEFF Research Database (Denmark)

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

2014-01-01

Membrane mechanical elastic properties regulate a variety of cellular processes involving local membrane deformation, such as ion channel function and vesicle fusion. In this work, we used molecular dynamics simulations to estimate the local elastic properties of a membrane. For this, we calculated...... the stretching process in molecular detail, allowing us to fit this profile to a previously proposed continuum elastic model. Through this approach, we calculated an effective membrane spring constant of 42 kJ-2.mol-1, which is in good agreement with the PMF calculation. Furthermore, the solvation energy we...

First-principles prediction of the structural, elastic, thermodynamic, electronic and optical properties of Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6} quaternary nitride

Energy Technology Data Exchange (ETDEWEB)

Boudrifa, O. [Laboratory for Developing New Materials and their Characterization, University of Setif 1, 19000 Setif (Algeria); Bouhemadou, A., E-mail: a_bouhemadou@yahoo.fr [Laboratory for Developing New Materials and their Characterization, University of Setif 1, 19000 Setif (Algeria); Guechi, N. [Department of Physics, Faculty of Science, University of Setif 1, 19000 Setif (Algeria); Bin-Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Department of Physics, Faculty of Science and Humanitarian Studies, Salman Bin Abdalaziz University, Alkharj 11942 (Saudi Arabia); Al-Douri, Y. [Institute of Nano Electronic Engineering, Universiti Malaysia Perlis, 01000 Kangar, Perlis (Malaysia); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, 29000 Mascara (Algeria)

2015-01-05

Highlights: • Some physical properties of the quaternary nitride Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6} have been predicted. • Elastic parameters reveal that Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6} is mechanically stable but anisotropi. • Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6} is an indirect semiconductor. • The fundamental indirect band gap changes to direct one under pressure effect. • The optical properties exhibit noticeable anisotropy. - Abstract: Structural parameters, elastic constants, thermodynamic properties, electronic structure and optical properties of the monoclinic Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6} quaternary nitride are investigated theoretically for the first time using the pseudopotential plane-wave based first-principles calculations. The calculated structural parameters are in excellent agreement with the experimental data. This serves as a proof of reliability of the used theoretical method and gives confidence in the predicted results on aforementioned properties of Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6}. The predicted elastic constants C{sub ij} reveal that Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6} is mechanically stable but anisotropic. The elastic anisotropy is further illustrated by the direction-dependent of the linear compressibility and Young’s modulus. Macroscopic elastic parameters, including the bulk and shear moduli, the Young’s modulus, the Poisson ratio, the velocities of elastic waves and the Debye temperature are numerically estimated. The pressure and temperature dependence of the unit cell volume, isothermal bulk modulus, volume expansion coefficient, specific heat and Debye temperature are investigated through the quasiharmonic Debye model. The band structure and the density of states of Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6} are analyzed, which reveals the semiconducting character of Li{sub 4}Sr{sub 3}Ge{sub 2}N{sub 6}. The complex dielectric function, refractive index, extinction coefficient, absorption coefficient, reflectivity

Elastic properties of uniaxial-fiber reinforced composites - General features

Science.gov (United States)

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).

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

Energy Technology Data Exchange (ETDEWEB)

Berryman, J.G.

2007-10-02

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

Mesoscopic approach to modeling elastic-plastic polycrystalline material behaviour

International Nuclear Information System (INIS)

Kovac, M.; Cizelj, L.

2001-01-01

Extreme loadings during severe accident conditions might cause failure or rupture of the pressure boundary of a reactor coolant system. Reliable estimation of the extreme deformations can be crucial to determine the consequences of such an accident. One of important drawbacks of classical continuum mechanics is idealization of inhomogenous microstructure of materials. This paper discusses the mesoscopic approach to modeling the elastic-plastic behavior of a polycrystalline material. The main idea is to divide the continuum (e.g., polycrystalline aggregate) into a set of sub-continua (grains). The overall properties of the polycrystalline aggregate are therefore determined by the number of grains in the aggregate and properties of randomly shaped and oriented grains. The random grain structure is modeled with Voronoi tessellation and random orientations of crystal lattices are assumed. The elastic behavior of monocrystal grains is assumed to be anisotropic. Crystal plasticity is used to describe plastic response of monocrystal grains. Finite element method is used to obtain numerical solutions of strain and stress fields. The analysis is limited to two-dimensional models.(author)

A micromechanics model of the elastic properties of human dentine

Energy Technology Data Exchange (ETDEWEB)

Kinney, J. H. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Balooch, M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Marshall, G. W. [Univ. of California, San Francisco, CA (United States). Dept. of Restorative Dentistry; Marshall, S. J. [Univ. of California, San Francisco, CA (United States). Dept. of Restorative Dentistry

1999-10-01

A generalized self-consistent model of cylindrical inclusions in a homogeneous and isotropic matrix phase was used to study the effects of tubule orientation on the elastic properties of dentin. Closed form expressions for the five independent elastic constants of dentin were derived in terms of tubule concentration, and the Young's moduli and Poisson ratios of peri- and intertubular dentin. An atomic force microscope (AFM) indentation technique determined the Young's moduli of the peri- and intertubular dentin as approximately 30 GPa and 15 GPa, respectively. Over the natural variation in tubule density found in dentin, there was only a slight variation in the axial and transverse shear moduli with position in the tooth, and there was no measurable effect of tubule orientation. We conclude that tubule orientation has no appreciable effect on the elastic behavior of normal dentin, and that the elastic properties of healthy dentin can be modeled as an isotropic continuum with a Young's modulus of approximately 16 GPa and a shear modulus of 6.2 GPa.

Mechanical properties of hybrid organic-inorganic CH3NH3BX3 (B = Sn, Pb; X = Br, I perovskites for solar cell absorbers

Directory of Open Access Journals (Sweden)

Jing Feng

2014-08-01

Full Text Available The crystal structures, elastic and anisotropic properties of CH3NH3BX3 (B = Sn, Pb; X = Br, I compounds as solar cell absorber layers are investigated by the first-principles calculations. The type and strength of chemical bond B-X are found to determine the elastic properties. B-X bonds and the organic cations are therefore crucial to the functionalities of such absorbers. The bulk, shear, Young's modulus ranges from 12 to 30 GPa, 3 to 12 GPa, and 15 to 37 GPa, respectively. Moreover, the interaction among organic and inorganic ions would have negligible effect for elastic properties. The B/G and Poisson's ratio show it would have a good ductile ability for extensive deformation as a flexible/stretchable layer on the polymer substrate. The main reason is attributed to the low shear modulus of such perovskites. The anisotropic indices AU, AB AG, A1, A2, and A3 show ABX3 perovskite have very strong anisotropy derived from the elastic constants, chemical bonds, and symmetry.

Ultra-thin ZnSe: Anisotropic and flexible crystal structure

Energy Technology Data Exchange (ETDEWEB)

Bacaksiz, C., E-mail: cihanbacaksiz@iyte.edu.tr [Department of Physics, Izmir Institute of Technology, 35430 Izmir (Turkey); Senger, R.T. [Department of Physics, Izmir Institute of Technology, 35430 Izmir (Turkey); Sahin, H. [Department of Photonics, Izmir Institute of Technology, 35430 Izmir (Turkey)

2017-07-01

Highlights: • Ultra-thin ZnSe is dynamically stable. • Ultra-thin ZnSe is electronically direct-gap semiconductor. • Ultra-thin ZnSe is ultra-flexible. • Ultra-thin ZnSe is mechanically in-plane anisotropic. - Abstract: By performing density functional theory-based calculations, we investigate the structural, electronic, and mechanical properties of the thinnest ever ZnSe crystal . The vibrational spectrum analysis reveals that the monolayer ZnSe is dynamically stable and has flexible nature with its soft phonon modes. In addition, a direct electronic band gap is found at the gamma point for the monolayer structure of ZnSe. We also elucidate that the monolayer ZnSe has angle dependent in-plane elastic parameters. In particular, the in-plane stiffness values are found to be 2.07 and 6.89 N/m for the arm-chair and zig-zag directions, respectively. The angle dependency is also valid for the Poisson ratio of the monolayer ZnSe. More significantly, the in-plane stiffness of the monolayer ZnSe is the one-tenth of Young modulus of bulk zb-ZnSe which indicates that the monolayer ZnSe is a quite flexible single layer crystal. With its flexible nature and in-plane anisotropic mechanical properties, the monolayer ZnSe is a good candidate for nanoscale mechanical applications.

Ultra-thin ZnSe: Anisotropic and flexible crystal structure

International Nuclear Information System (INIS)

Bacaksiz, C.; Senger, R.T.; Sahin, H.

2017-01-01

Highlights: • Ultra-thin ZnSe is dynamically stable. • Ultra-thin ZnSe is electronically direct-gap semiconductor. • Ultra-thin ZnSe is ultra-flexible. • Ultra-thin ZnSe is mechanically in-plane anisotropic. - Abstract: By performing density functional theory-based calculations, we investigate the structural, electronic, and mechanical properties of the thinnest ever ZnSe crystal . The vibrational spectrum analysis reveals that the monolayer ZnSe is dynamically stable and has flexible nature with its soft phonon modes. In addition, a direct electronic band gap is found at the gamma point for the monolayer structure of ZnSe. We also elucidate that the monolayer ZnSe has angle dependent in-plane elastic parameters. In particular, the in-plane stiffness values are found to be 2.07 and 6.89 N/m for the arm-chair and zig-zag directions, respectively. The angle dependency is also valid for the Poisson ratio of the monolayer ZnSe. More significantly, the in-plane stiffness of the monolayer ZnSe is the one-tenth of Young modulus of bulk zb-ZnSe which indicates that the monolayer ZnSe is a quite flexible single layer crystal. With its flexible nature and in-plane anisotropic mechanical properties, the monolayer ZnSe is a good candidate for nanoscale mechanical applications.

Atomistic calculations of interface elastic properties in noncoherent metallic bilayers

International Nuclear Information System (INIS)

Mi Changwen; Jun, Sukky; Kouris, Demitris A.; Kim, Sung Youb

2008-01-01

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 surfaces 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

Strain fluctuations and elastic constants

Energy Technology Data Exchange (ETDEWEB)

Parrinello, M.; Rahman, A.

1982-03-01

It is shown that the elastic strain fluctuations are a direct measure of elastic compliances in a general anisotropic medium; depending on the ensemble in which the fluctuation is measured either the isothermal or the adiabatic compliances are obtained. These fluctuations can now be calculated in a constant enthalpy and pressure, and hence, constant entropy, ensemble due to recent develpments in the molecular dynamics techniques. A calculation for a Ni single crystal under uniform uniaxial 100 tensile or compressive load is presented as an illustration of the relationships derived between various strain fluctuations and the elastic modulii. The Born stability criteria and the behavior of strain fluctuations are shown to be related.

The study of Widmanstätten ferrite in Fe–C alloys by a phase field model coupled with anisotropic elasticity

Energy Technology Data Exchange (ETDEWEB)

Zhang, Li [China State Key Lab of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Shen, Yao, E-mail: yaoshen@sjtu.edu.cn [China State Key Lab of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Wan, Haibo [China State Key Lab of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Shanghai Power Equipment Research Institute, Shanghai 200240 (China); Xiong, Xiaochuan [General Motors Global Research & Development, China Science Laboratory, Shanghai 201206 (China); Zhang, Lanting [China State Key Lab of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China)

2015-11-25

A phase field model accounting for anisotropic elastic energy has been formulated to investigate the morphology and growth kinetics of a Widmanstätten microstructure during the isothermal austenite to ferrite transformation in binary Fe–C. Physically realistic parameters are employed, for which the thermodynamic functions and the diffusional mobilities are from the literatures that were assessed via the Calphad technique and from experimental results respectively. The simulation results suggest that the anisotropy of elastic energy, resulting from the lattice distortion between the ferrite precipitate and the austenite matrix in the phase transformation, is sufficient to generate a plate-like Widmanstätten structure. The growth of the ferrite precipitate follows completely different dynamic laws in different directions, i.e., parabolic thickening in the direction of the plate thickness and linear lengthening in the direction toward the plate tip. The chief reason for the former is that the moving of the plate broad sides may be regarded as a migration of straight interfaces in the diffusion-controlled phase transformation; the latter is because that the plate tip can maintain a constant radius of curvature during the phase transition after a transient initial stage. Furthermore, the aspect ratio and the lengthening rate of the Widmanstätten ferrite plate simulated by our analyses are in good agreement with the experimental observations. - Highlights: • A model assuming elastic anisotropy for the growth of ferrites is formulated. • The elastic anisotropy is sufficient to generate acicular Widmanstätten ferrites. • The direction of the plate thickness features a parabolic thickening. • The direction of the plate tip characterizes a linear lengthening. • The calculated aspect ratio and growth rate are in good agreement with experiments.

Anisotropic bias dependent transport property of defective phosphorene layer

Science.gov (United States)

Umar Farooq, M.; Hashmi, Arqum; Hong, Jisang

2015-01-01

Phosphorene is receiving great research interests because of its peculiar physical properties. Nonetheless, no systematic studies on the transport properties modified due to defects have been performed. Here, we present the electronic band structure, defect formation energy and bias dependent transport property of various defective systems. We found that the defect formation energy is much less than that in graphene. The defect configuration strongly affects the electronic structure. The band gap vanishes in single vacancy layers, but the band gap reappears in divacancy layers. Interestingly, a single vacancy defect behaves like a p-type impurity for transport property. Unlike the common belief, we observe that the vacancy defect can contribute to greatly increasing the current. Along the zigzag direction, the current in the most stable single vacancy structure was significantly increased as compared with that found in the pristine layer. In addition, the current along the armchair direction was always greater than along the zigzag direction and we observed a strong anisotropic current ratio of armchair to zigzag direction. PMID:26198318

Elastic properties of Gum Metal

International Nuclear Information System (INIS)

Kuramoto, Shigeru; Furuta, Tadahiko; Hwang, Junghwan; Nishino, Kazuaki; Saito, Takashi

2006-01-01

In situ X-ray diffraction measurements under tensile loading and dynamic mechanical analysis were performed to investigate the mechanisms of elastic deformation in Gum Metal. Tensile stress-strain curves for Gum Metal indicate that cold working substantially decreases the elastic modulus while increasing the yield strength, thereby confirming nonlinearity in the elastic range. The gradient of each curve decreased continuously to about one-third its original value near the elastic limit. As a result of this decrease in elastic modulus and nonlinearity, elastic deformability reaches 2.5% after cold working. Superelasticity is attributed to stress-induced martensitic transformations, although the large elastic deformation in Gum Metal is not accompanied by a phase transformation

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

KAUST Repository

Goudarzy, M.; Kö nig, D.; Santamarina, Carlos; Schanz, T.

2017-01-01

This paper shows the effect of anisotropic stress state on intermediate strain properties of cylindrical samples containing spherical glass particles. Tests were carried out with the modified resonant column device available at Ruhr

Elastic and Strength Properties of Heat-Treated Beech and Birch Wood

Directory of Open Access Journals (Sweden)

Vlastimil Borůvka

2018-04-01

Full Text Available This paper deals with the impact of heat treatment on the elastic and strength properties of two diffuse porous hardwoods, namely Fagus sylvatica and Betula pendula. Two degrees of the heat treatment were used at temperatures of 165 °C and 210 °C. The dynamic and static elasticity modulus, bending strength, impact toughness, hardness, and density were tested. It is already known that an increase in treatment temperature decreases the mechanical properties and, on the other hand, leads to a better shape and dimensional stability. Higher temperatures of the heat treatment correlated with lower elastic and strength properties. In the case of higher temperature treatments, the decline of tested properties was noticeable as a result of serious changes in the chemical composition of wood. It was confirmed that at higher temperature stages of treatment, there was a more pronounced decrease in beech properties compared to those of the birch, which was the most evident in their bending strength and hardness. Our research confirmed that there is no reason to consider birch wood to be of a lesser quality, although it is regarded by foresters as an inferior tree species. After the heat treatment, the wood properties are almost the same as in the case of beech wood.

Thermophysical and elastic properties of titanium carbonitrides containing molybdenum and tungsten

International Nuclear Information System (INIS)

Matsuda, Tetsushi; Matsubara, Hideaki

2013-01-01

Highlights: ► (Ti,Me)(C,N) sintered bodies were prepared by hot-pressing. ► The thermophysical and elastic properties of the carbonitrides were evaluated. ► The porosities of the specimens were less than 1%. ► The Young’s modulus decreases with increasing Mo content. ► The Debye temperatures decrease with increasing Mo/W content. -- Abstract: Titanium carbonitride has good mechanical properties such as high hardness and high Young’s modulus. It is a major raw material for Ti(C,N)-based cermets, and their properties are strongly dependent on the properties of titanium carbonitrides. The thermophysical and elastic properties of the carbonitride need to be systematically investigated, so as to be used for designing cutting tools and wear-resistant tools. The thermophysical and elastic properties of (Ti,Me)(C,N) (Me = Mo. W) sintered bodies prepared by hot-pressing at 2200 °C were evaluated. The porosities of the specimens were less than 1%. The Young’s modulus decreased with increasing Mo, which seems to be the result of vacancy formation. The thermal expansion coefficient, the thermal conductivity and the Debye temperatures of (Ti,Me)(C,N) sintered bodies decreased with increasing Mo/W content

Linear elastic properties derivation from microstructures representative of transport parameters.

Science.gov (United States)

Hoang, Minh Tan; Bonnet, Guy; Tuan Luu, Hoang; Perrot, Camille

2014-06-01

It is shown that three-dimensional periodic unit cells (3D PUC) representative of transport parameters involved in the description of long wavelength acoustic wave propagation and dissipation through real foam samples may also be used as a standpoint to estimate their macroscopic linear elastic properties. Application of the model yields quantitative agreement between numerical homogenization results, available literature data, and experiments. Key contributions of this work include recognizing the importance of membranes and properties of the base material for the physics of elasticity. The results of this paper demonstrate that a 3D PUC may be used to understand and predict not only the sound absorbing properties of porous materials but also their transmission loss, which is critical for sound insulation problems.

Intensity-based hierarchical elastic registration using approximating splines.

Science.gov (United States)

Serifovic-Trbalic, Amira; Demirovic, Damir; Cattin, Philippe C

2014-01-01

We introduce a new hierarchical approach for elastic medical image registration using approximating splines. In order to obtain the dense deformation field, we employ Gaussian elastic body splines (GEBS) that incorporate anisotropic landmark errors and rotation information. Since the GEBS approach is based on a physical model in form of analytical solutions of the Navier equation, it can very well cope with the local as well as global deformations present in the images by varying the standard deviation of the Gaussian forces. The proposed GEBS approximating model is integrated into the elastic hierarchical image registration framework, which decomposes a nonrigid registration problem into numerous local rigid transformations. The approximating GEBS registration scheme incorporates anisotropic landmark errors as well as rotation information. The anisotropic landmark localization uncertainties can be estimated directly from the image data, and in this case, they represent the minimal stochastic localization error, i.e., the Cramér-Rao bound. The rotation information of each landmark obtained from the hierarchical procedure is transposed in an additional angular landmark, doubling the number of landmarks in the GEBS model. The modified hierarchical registration using the approximating GEBS model is applied to register 161 image pairs from a digital mammogram database. The obtained results are very encouraging, and the proposed approach significantly improved all registrations comparing the mean-square error in relation to approximating TPS with the rotation information. On artificially deformed breast images, the newly proposed method performed better than the state-of-the-art registration algorithm introduced by Rueckert et al. (IEEE Trans Med Imaging 18:712-721, 1999). The average error per breast tissue pixel was less than 2.23 pixels compared to 2.46 pixels for Rueckert's method. The proposed hierarchical elastic image registration approach incorporates the GEBS

Moisture Comfort and Antibacterial Properties of Elastic Warp-Knitted Fabrics

Directory of Open Access Journals (Sweden)

Yu Zhi-Cai

2015-03-01

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

From Process Modeling to Elastic Property Prediction for Long-Fiber Injection-Molded Thermoplastics

International Nuclear Information System (INIS)

Nguyen, Ba Nghiep; Kunc, Vlastimil; Frame, Barbara J.; Phelps, Jay; Tucker III, Charles L.; Bapanapalli, Satish K.; Holbery, James D.; Smith, Mark T.

2007-01-01

This paper presents an experimental-modeling approach to predict the elastic properties of long-fiber injection-molded thermoplastics (LFTs). The approach accounts for fiber length and orientation distributions in LFTs. LFT samples were injection-molded for the study, and fiber length and orientation distributions were measured at different locations for use in the computation of the composite properties. The current fiber orientation model was assessed to determine its capability to predict fiber orientation in LFTs. Predicted fiber orientations for the studied LFT samples were also used in the calculation of the elastic properties of these samples, and the predicted overall moduli were then compared with the experimental results. The elastic property prediction was based on the Eshelby-Mori-Tanaka method combined with the orientation averaging technique. The predictions reasonably agree with the experimental LFT data

Critical properties of Sudden Quench Dynamics in the anisotropic XY Model

OpenAIRE

Guo, Hongli; Liu, Zhao; Fan, Heng; Chen, Shu

2010-01-01

We study the zero temperature quantum dynamical critical behavior of the anisotropic XY chain under a sudden quench in a transverse field. We demonstrate theoretically that both quench magnetic susceptibility and two-particle quench correlation can be used to describe the dynamical quantum phase transition (QPT) properties. Either the quench magnetic susceptibility or the derivative of correlation functions as a function of initial magnetic field $a$ exhibits a divergence at the critical poin...

[Aortic elastic properties and its clinical significance in intracranial aneurysms].

Science.gov (United States)

Pu, Zhao-xia; You, Xiang-dong; Weng, Wen-chao; Wang, Jian-an; Shi, Jian

2011-09-01

To investigate the aortic elastic properties and its clinical significance in intracranial aneurysms (IAs). One hundred and seven IAs patients (57 with hypertension) and 108 healthy subjects were recruited. The internal aortic diameters in systole and diastole were measured by the M-mode echocardiography, the aortic elasticity indexes were calculated and compared. The aortic distensibility (DIS) was lower and the aortic stiffness index (SI) was higher in IAs patients than those in controls (both P IAs patients with hypertension (IAs-HP) than those in IAs with no hypertension (P IAs patients and hypertension is closely related to the severity of aortic elasticity.

On elastic waves in an thinly-layered laminated medium with stress couples under initial stress

Directory of Open Access Journals (Sweden)

P. Pal Roy

1988-01-01

Full Text Available The present work is concerned with a simple transformation rule in finding out the composite elastic coefficients of a thinly layered laminated medium whose bulk properties are strongly anisotropic with a microelastic bending rigidity. These elastic coefficients which were not known completely for a layered laminated structure, are obtained suitably in terms of initial stress components and Lame's constants λi, μi of initially isotropic solids. The explicit solutions of the dynamical equations for a prestressed thinly layered laminated medium under horizontal compression in a gravity field are derived. The results are discussed specifying the effects of hydrostatic, deviatoric and couple stresses upon the characteristic propagation velocities of shear and compression wave modes.

High field dielectric properties of anisotropic polymer-ceramic composites

International Nuclear Information System (INIS)

Tomer, V.; Randall, C. A.

2008-01-01

Using dielectrophoretic assembly, we create anisotropic composites of BaTiO 3 particles in a silicone elastomer thermoset polymer. We study a variety of electrical properties in these composites, i.e., permittivity, dielectric breakdown, and energy density as function of ceramic volume fraction and connectivity. The recoverable energy density of these electric-field-structured composites is found to be highly dependent on the anisotropy present in the system. Our results indicate that x-y-aligned composites exhibit higher breakdown strengths along with large recoverable energy densities when compared to 0-3 composites. This demonstrates that engineered anisotropy can be employed to control dielectric breakdown strengths and nonlinear conduction at high fields in heterogeneous systems. Consequently, manipulation of anisotropy in high-field dielectric properties can be exploited for the development of high energy density polymer-ceramic systems

Hardrock Elastic Physical Properties: Birch's Seismic Parameter Revisited

Science.gov (United States)

Wu, M.; Milkereit, B.

2014-12-01

Identifying rock composition and properties is imperative in a variety of fields including geotechnical engineering, mining, and petroleum exploration, in order to accurately make any petrophysical calculations. Density is, in particular, an important parameter that allows us to differentiate between lithologies and estimate or calculate other petrophysical properties. It is well established that compressional and shear wave velocities of common crystalline rocks increase with increasing densities (i.e. the Birch and Nafe-Drake relationships). Conventional empirical relations do not take into account S-wave velocity. Physical properties of Fe-oxides and massive sulfides, however, differ significantly from the empirical velocity-density relationships. Currently, acquiring in-situ density data is challenging and problematic, and therefore, developing an approximation for density based on seismic wave velocity and elastic moduli would be beneficial. With the goal of finding other possible or better relationships between density and the elastic moduli, a database of density, P-wave velocity, S-wave velocity, bulk modulus, shear modulus, Young's modulus, and Poisson's ratio was compiled based on a multitude of lab samples. The database is comprised of isotropic, non-porous metamorphic rock. Multi-parameter cross plots of the various elastic parameters have been analyzed in order to find a suitable parameter combination that reduces high density outliers. As expected, the P-wave velocity to S-wave velocity ratios show no correlation with density. However, Birch's seismic parameter, along with the bulk modulus, shows promise in providing a link between observed compressional and shear wave velocities and rock densities, including massive sulfides and Fe-oxides.

Anisotropy of the Elastic Properties of Normal and Pathological Myocardium: Angular Dependence of Ultrasonic Backscatter, Attenuation, and Velocity.

Science.gov (United States)

Verdonk, Edward Dennis

The focus of this thesis is the measurement of anisotropies in the ultrasonic parameters of soft tissues. The goal is to contribute to a better understanding of the physics which underlies the interaction of ultrasonic waves with inhomogeneous and anisotropic media. Broadband measurements using a piezoelectric transducer are reported for investigations of excised specimens of human and canine myocardial tissue. Emphasis is placed on identifying the effect that the muscle fiber orientation, relative to the direction of insonification, has on the propagation and scattering properties of ultrasonic waves. Results of the anisotropy of backscatter, the anisotropy of attenuation, and the anisotropy of quasilongitudinal velocity are presented for data obtained in 2^ circ increments through the full 360 ^circ relative to the myofibers. Measured velocities are used in conjunction with measured specimen densities to determine the elastic stiffness constants c_{11} and c_ {33} and to estimate specific mechanical moduli for thin layers of myocardium.

Micromechanics-based determination of effective elastic properties of polymer bonded explosives

International Nuclear Information System (INIS)

Banerjee, Biswajit; Adams, D.O.

2003-01-01

Polymer bonded explosives are particulate composites containing a high volume fraction of stiff elastic explosive particles in a compliant viscoelastic binder. Since the volume fraction of particles can be greater than 0.9 and the modulus contrast greater than 20 000, rigorous bounds on the elastic moduli of the composite are an order of magnitude different from experimentally determined values. Analytical solutions are also observed to provide inaccurate estimates of effective elastic properties. Direct finite element approximations of effective properties require large computational resources because of the complexity of the microstructure of these composites. An alternative approach, the recursive cells method (RCM) is also explored in this work. Results show that the degree of discretization and the microstructures used in finite element models of PBXs can significantly affect the estimated Young's moduli

Anisotropic magnetocrystalline coupling of the skyrmion lattice in MnSi

Science.gov (United States)

Luo, Yongkang; Lin, Shi-Zeng; Fobes, D. M.; Liu, Zhiqi; Bauer, E. D.; Betts, J. B.; Migliori, A.; Thompson, J. D.; Janoschek, M.; Maiorov, B.

2018-03-01

We investigate the anisotropic nature of magnetocrystalline coupling between the crystallographic and skyrmion crystal (SKX) lattices in the chiral magnet MnSi by magnetic field-angle resolved resonant ultrasound spectroscopy. Abrupt changes are observed in the elastic moduli and attenuation when the magnetic field is parallel to the [011] crystallographic direction. These observations are interpreted in a phenomenological Ginzburg-Landau theory that identifies switching of the SKX orientation to be the result of an anisotropic magnetocrystalline coupling potential. Our paper sheds new light on the nature of magnetocrystalline coupling potential relevant to future spintronic applications.

Spin-orbit interaction induced anisotropic property in interacting quantum wires

Directory of Open Access Journals (Sweden)

Chang Kai

2011-01-01

Full Text Available We investigate theoretically the ground state and transport property of electrons in interacting quantum wires (QWs oriented along different crystallographic directions in (001 and (110 planes in the presence of the Rashba spin-orbit interaction (RSOI and Dresselhaus SOI (DSOI. The electron ground state can cross over different phases, e.g., spin density wave, charge density wave, singlet superconductivity, and metamagnetism, by changing the strengths of the SOIs and the crystallographic orientation of the QW. The interplay between the SOIs and Coulomb interaction leads to the anisotropic dc transport property of QW which provides us a possible way to detect the strengths of the RSOI and DSOI. PACS numbers: 73.63.Nm, 71.10.Pm, 73.23.-b, 71.70.Ej

P-wave ray velocities and the inverse acoustic problem for anisotropic media

Czech Academy of Sciences Publication Activity Database

Zel, I. Yu.; Ivankina, T. I.; Levin, D.M.; Lokajíček, Tomáš

2016-01-01

Roč. 61, č. 4 (2016), s. 633-639 ISSN 1063-7745 Institutional support: RVO:67985831 Keywords : anisotropic media * P-Wawe velocities * elasticity Subject RIV: DB - Geology ; Mineralogy Impact factor: 0.563, year: 2016

Extremal Overall Elastic Response of Polycrystalline Materials

DEFF Research Database (Denmark)

Bendsøe, Martin P; Lipton, Robert

1997-01-01

Polycrystalline materials comprised of grains obtained from a single anisotropic material are considered in the framework of linear elasticity. No assumptions on the symmetry of the polycrystal are made. We subject the material to independent external strain and stress fields with prescribed mean...

The effect of inclusions on macroscopic composite elasticity: A systematic finite-element analysis of constituent and bulk elastic properties

International Nuclear Information System (INIS)

Yoneda, A; Sohag, F H

2010-01-01

The bulk physical properties of composite systems are difficult to predict - even when the properties of the constituent materials in the system are well known. We conducted a finite-element method simulation to examine the inclusion effect by substituting an inclusion phase (second phase) into a host phase (first phase). We have organized the simulation results as a function of the elasticity of host and inclusion phases. In this procedure, special attention was paid to the initial change of elastic constants as the inclusion volume ratio was varied. To accomplish this, we introduced a new parameter D ij defined as the derivatives of the normalized stiffness elastic constant over the inclusion volume ratio. We succeeded in obtaining useful systematic formulations for D ij . These formulations are expected to be applicable to the study of composite systems in many disciplines, such as geophysics, mechanics, material engineering, and biology. The present results provide much more effective constraints on the physical properties of composite systems, like rocks, than traditional methods, such as the Voigt-Reuss bounds.

Pulse splitting in nonlinear media with anisotropic dispersion properties

DEFF Research Database (Denmark)

Bergé, L.; Juul Rasmussen, J.; Schmidt, M.R.

1998-01-01

The nonlinear self-focusing of beams in media with anisotropic (mix-signed) dispersion is investigated. Theoretical predictions employing virial-type arguments and self-similar techniques suggest that a pulse propagating in a nonlinear medium with anisotropic dispersion will not collapse...

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

KAUST Repository

Goriely, A.; Tabor, M.

2013-01-01

Cylindrical tubes and membranes are universal structural elements found in biology and engineering over a wide range of scales.Working in the framework of nonlinear elasticity, we consider the possible deformations of elastic cylindrical shells

Anisotropy in elastic properties of lithium sodium sulphate ...

Indian Academy of Sciences (India)

Anisotropy in elastic properties of lithium sodium sulphate hexahydrate single crystal—An ultrasonic study. GEORGE VARUGHESE. ,∗. , A S KUMAR†, J PHILIP†† and GODFREY LOUIS#. Department of Physics, Catholicate College, Pathanamthitta 689 648, India. †SPAP, M.G. University, Kottayam 686 560, India. ††STIC ...

First-principles calculations for elastic properties of OsB2 under pressure

International Nuclear Information System (INIS)

Yang Junwei; Chen Xiangrong; Luo Fen; Ji Guangfu

2009-01-01

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.

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

Science.gov (United States)

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.

Anomalously large anisotropic magnetoresistance in a perovskite manganite

Science.gov (United States)

Li, Run-Wei; Wang, Huabing; Wang, Xuewen; Yu, X. Z.; Matsui, Y.; Cheng, Zhao-Hua; Shen, Bao-Gen; Plummer, E. Ward; Zhang, Jiandi

2009-01-01

The signature of correlated electron materials (CEMs) is the coupling between spin, charge, orbital and lattice resulting in exotic functionality. This complexity is directly responsible for their tunability. We demonstrate here that the broken symmetry, through cubic to orthorhombic distortion in the lattice structure in a prototype manganite single crystal, La0.69Ca0.31MnO3, leads to an anisotropic magneto-elastic response to an external field, and consequently to remarkable magneto-transport behavior. An anomalous anisotropic magnetoresistance (AMR) effect occurs close to the metal-insulator transition (MIT) in the system, showing a direct correlation with the anisotropic field-tuned MIT in the system and can be understood by means of a simple phenomenological model. A small crystalline anisotropy stimulates a “colossal” AMR near the MIT phase boundary of the system, thus revealing the intimate interplay between magneto- and electronic-crystalline couplings. PMID:19706504

Surface waves in fibre-reinforced anisotropic elastic media

Indian Academy of Sciences (India)

Springer Verlag Heidelberg #4 2048 1996 Dec 15 10:16:45

Rayleigh, Love and Stoneley types. The wave velocity equations are found to be in agreement with the corresponding classical result when the ... (1924) and Jeffreys (1959), regarding surface waves in classical elasticity. Sengupta and his research collaborators have also studied surface waves (Acharya & Sengupta 1978;.

Composite beam analysis linear analysis of naturally curved and twisted anisotropic beams

Science.gov (United States)

Borri, Marco; Ghiringhelli, Gian L.; Merlini, Teodoro

1992-05-01

The aim of this report is to present a consistent theory for the deformation of a naturally curved and twisted anisotropic beam. The proposed formulation naturally extends the classical Saint-Venant approach to the case of curved and twisted anisotropic beams. The mathematical model developed under the assumption of span-wise uniform cross-section, curvature and twist, can take into account any kind of elastic coupling due to the material properties and the curved geometry. The consistency of the presented math-model and its generality about the cross-sectional shape, make it a useful tool even in a preliminary design optimization context such as the aeroelastic tailoring of helicopter rotor blades. The advantage of the present procedure is that it only requires a two-dimensional discretization; thus, very detailed analyses can be performed and interlaminar stresses between laminae can be evaluated. Such analyses would be extremely time consuming if performed with standard finite element codes: that prevents their recursive use as for example when optimizing a beam design. Moreover, as a byproduct of the proposed formulation, one obtains the constitutive law of the cross-section in terms of stress resultant and moment and their conjugate strain measures. This constitutive law takes into account any kind of elastic couplings, e.g., torsion-tension, tension-shear, bending-shear, and constitutes a fundamental input in aeroelastic analyses of helicopter blades. Four simple examples are given in order to show the principal features of the method.

The Relationship between Elastic Properties and Shear Fabric in Clay-Rich Fault Gouge

Science.gov (United States)

Kenigsberg, A.; Saffer, D. M.; Riviere, J.; Ryan, K. L.; Marone, C.

2016-12-01

The low mechanical strength of major crustal faults remains a fundamental problem in geophysics and earthquake mechanics. Although both clay abundance and shear fabric are known as key controls on the frictional weakening of faults, the detailed links between fabric, elastic properties, composition, and fault strength remain poorly understood. This gap in information is in part because data are lacking to fully characterize the evolution of gouge microstructures and elastic properties during shearing. Here, we use seismic wave propagation to probe gouge ultrasonic and elastic properties, as a proxy for the development of shear fabrics. We report on a suite of direct shear experiments that include ultrasonic wave transmission to monitor compressional and shear wave velocities (Vp, Vs), during progressive shear of synthetic, clay-rich fault gouge. In order to better understand when and how clay grain alignment and nano-coatings begin to dominate the affect of shear fabric and local gouge density on elastic properties and shear strength, we studied a suite of synthetic gouges composed of Ca-montmorillonite and quartz ranging from 0-100% clay. Our laboratory experiments document friction coefficients (μ) ranging from 0.21 for gouges composed of 100% smectite to 0.62 for 100% quartz, with μ decreasing as clay content increases. We find that Vp and Vs increases as shear progresses and porosity decreases. Ongoing analyses of ultrasonic waves will assess variations of Vp, Vs, and elastic moduli throughout shear and as a function of gouge composition. We anticipate that these variations will be linked to formation of fabric elements observed via microstructural analysis, and will be indicative of whether quartz or clay is dominating how the fabrics form. Finally, we expect that clay content will be the dominant factor controlling shear fabric evolution and, consequently, the key control on the evolution of elastic properties with shear.

Simulation of Anisotropic Rock Damage for Geologic Fracturing

Science.gov (United States)

Busetti, S.; Xu, H.; Arson, C. F.

2014-12-01

A continuum damage model for differential stress-induced anisotropic crack formation and stiffness degradation is used to study geologic fracturing in rocks. The finite element-based model solves for deformation in the quasi-linear elastic domain and determines the six component damage tensor at each deformation increment. The model permits an isotropic or anisotropic intact or pre-damaged reference state, and the elasticity tensor evolves depending on the stress path. The damage variable, similar to Oda's fabric tensor, grows when the surface energy dissipated by three-dimensional opened cracks exceeds a threshold defined at the appropriate scale of the representative elementary volume (REV). At the laboratory or wellbore scale (1000m) scales the damaged REV reflects early natural fracturing (background or tectonic fracturing) or shear strain localization (fault process zone, fault-tip damage, etc.). The numerical model was recently benchmarked against triaxial stress-strain data from laboratory rock mechanics tests. However, the utility of the model to predict geologic fabric such as natural fracturing in hydrocarbon reservoirs was not fully explored. To test the ability of the model to predict geological fracturing, finite element simulations (Abaqus) of common geologic scenarios with known fracture patterns (borehole pressurization, folding, faulting) are simulated and the modeled damage tensor is compared against physical fracture observations. Simulated damage anisotropy is similar to that derived using fractured rock-mass upscaling techniques for pre-determined fracture patterns. This suggests that if model parameters are constrained with local data (e.g., lab, wellbore, or reservoir domain), forward modeling could be used to predict mechanical fabric at the relevant REV scale. This reference fabric also can be used as the starting material property to pre-condition subsequent deformation or fluid flow. Continuing efforts are to expand the present damage

First principles study of structural, electronic, magnetic and elastic properties of Mg{sub 0.75}TM{sub 0.25}S (TM=Mn, Fe, Co, Ni)

Energy Technology Data Exchange (ETDEWEB)

Gous, M.H., E-mail: gousph@hotmail.fr; Meddour, A., E-mail: a_meddour@yahoo.fr; Bourouis, Ch., E-mail: bourouisse_ch@yahoo.fr

2017-01-15

The objective of this work is to predict the structural, electronic, magnetic and elastic properties of Mg{sub 1−x}TM{sub x}S (TM=Mn, Fe, Co and Ni) compound in the zinc blende Ferromagnetic phase using first principal approach. The structural and elastic properties are performed using the generalized gradient approximation proposed by Wu and Cohen(WC-GGA). However, the electronic and magnetic properties have been performed using modified Becke-Johnson potential combined with the LDA correlation (mBJLDA). The results show that all compounds Mg{sub 1−x}Mn{sub x}S, Mg{sub 1−x}Fe{sub x}S and Mg{sub 1−x}Ni{sub x}S exhibit a half-metallic ferromagnetic character with 100% spin-polarization at the Fermi level, except Mg{sub 1−x}Co{sub x}S is a metal. For each compounds study here, the total magnetic momentum is an integer equal to magnetic moments of TM atom in their free space charge value. Due to the p–d hybridization, there is a small local magnetic moment on the Mg and S sites; whereas, the local magnetic moments of TM atom reduce from their free space charge value. In addition, we investigate the mechanical behavior of MgS and Mg{sub 1−x}TM{sub x}S; all compounds studied here are mechanically stable and exhibit a strong anisotropic behavior. - Highlights: • Our results could be a prediction for coming works. • According to our results of electronic properties: Mg{sub 0.75}Co{sub 0.25}S is metal. Mg{sub 0.75}Mn{sub 0.25}S, Mg{sub 0.75}Fe{sub 0.25}S and Mg{sub 0.75}Ni{sub 0.25}S exhibit half-metallic ferromagnetic behavior with 100% spin polarization at Fermi level. • We found that MgS and Mg{sub 0.75}TM{sub 0.25}S (TM=Mn, Fe, Co and Ni) compounds are mechanically stable, ductile materials and have an anisotropic Young's Modulus. • It is likely that these materials have a high Curie temperature.

Response of orthotropic micropolar elastic medium due to time ...

Indian Academy of Sciences (India)

R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

namic response of anisotropic continuum has received the attention of ... linear theory of micropolar elasticity and bending of orthotropic micropolar ... medium due to time harmonic concentrated load, the continuum is divided into two half-.

A deep learning approach to estimate chemically-treated collagenous tissue nonlinear anisotropic stress-strain responses from microscopy images.

Science.gov (United States)

Liang, Liang; Liu, Minliang; Sun, Wei

2017-11-01

Biological collagenous tissues comprised of networks of collagen fibers are suitable for a broad spectrum of medical applications owing to their attractive mechanical properties. In this study, we developed a noninvasive approach to estimate collagenous tissue elastic properties directly from microscopy images using Machine Learning (ML) techniques. Glutaraldehyde-treated bovine pericardium (GLBP) tissue, widely used in the fabrication of bioprosthetic heart valves and vascular patches, was chosen to develop a representative application. A Deep Learning model was designed and trained to process second harmonic generation (SHG) images of collagen networks in GLBP tissue samples, and directly predict the tissue elastic mechanical properties. The trained model is capable of identifying the overall tissue stiffness with a classification accuracy of 84%, and predicting the nonlinear anisotropic stress-strain curves with average regression errors of 0.021 and 0.031. Thus, this study demonstrates the feasibility and great potential of using the Deep Learning approach for fast and noninvasive assessment of collagenous tissue elastic properties from microstructural images. In this study, we developed, to our best knowledge, the first Deep Learning-based approach to estimate the elastic properties of collagenous tissues directly from noninvasive second harmonic generation images. The success of this study holds promise for the use of Machine Learning techniques to noninvasively and efficiently estimate the mechanical properties of many structure-based biological materials, and it also enables many potential applications such as serving as a quality control tool to select tissue for the manufacturing of medical devices (e.g. bioprosthetic heart valves). Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Optical transmission properties of an anisotropic defect cavity in one-dimensional photonic crystal

Science.gov (United States)

Ouchani, Noama; El Moussaouy, Abdelaziz; Aynaou, Hassan; El Hassouani, Youssef; El Boudouti, El Houssaine; Djafari-Rouhani, Bahram

2018-01-01

We investigate theoretically the possibility to control the optical transmission in the visible and infrared regions by a defective one dimensional photonic crystal formed by a combination of a finite isotropic superlattice and an anisotropic defect layer. The Green's function approach has been used to derive the reflection and the transmission coefficients, as well as the densities of states of the optical modes. We evaluate the delay times of the localized modes and we compare their behavior with the total densities of states. We show that the birefringence of an anisotropic defect layer has a significant impact on the behavior of the optical modes in the electromagnetic forbidden bands of the structure. The amplitudes of the defect modes in the transmission and the delay time spectrum, depend strongly on the position of the cavity layer within the photonic crystal. The anisotropic defect layer induces transmission zeros in one of the two components of the transmission as a consequence of a destructive interference of the two polarized waves within this layer, giving rise to negative delay times for some wavelengths in the visible and infrared light ranges. This property is a typical characteristic of the anisotropic photonic layer and is without analogue in their counterpart isotropic defect layers. This structure offers several possibilities for controlling the frequencies, transmitted intensities and the delay times of the optical modes in the visible and infrared regions. It can be a good candidate for realizing high-precision optical filters.

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

International Nuclear Information System (INIS)

Yongbin Lee

2006-01-01

In this thesis, we discuss applications of first principles methods to x-ray resonant spectra and elastic properties calculation. We start with brief reviews about theoretical background of first principles methods, such as density functional theory, local density approximation (LDA), LDA+U, and the linear augmented plane wave (LAPW) method to solve Kohn-Sham equations. After that we discuss x-ray resonant scattering (XRMS), x-ray magnetic circular dichroism (XMCD) and the branching problem in the heavy rare earths Ledges. In the last chapter we discuss the elastic properties of the second hardest material AlMgB 14

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-11-01

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

GEO-MIX-SELF calculations of the elastic properties of a textured graphite sample at different hydrostatic pressures

International Nuclear Information System (INIS)

Matthies, Siegfried

2012-01-01

The recently developed GEO-MIX-SELF approximation (GMS) is applied to interpret the pressure dependence of the longitudinal ultrasonic wave velocities in a polycrystalline graphite sample that has already been investigated in a wide range of experimental contexts. Graphite single crystals have extremely anisotropic elastic properties, making this sample a challenging test to demonstrate the potential of the GMS method. GMS combines elements of well known self-consistent algorithms and of the geometric mean approximation. It is able to consider mixtures of different polycrystalline phases, each with its own nonspherical grain shape and preferred orientation (texture). Pores and 'cracks', typical for bulk graphite, are modeled as phases with 'empty' grains. The pressure dependence (up to 150 MPa) of the experimental wave velocities can be well explained using the known texture of the sample by fitting the shape parameters and volume fractions of the graphite grains, cracks and spherical pores. The pressure dependence of these parameters describes a reasonable scenario for the closing of the cracks and pores with increasing pressure. (orig.)

High-order dynamic lattice method for seismic simulation in anisotropic media

Science.gov (United States)

Hu, Xiaolin; Jia, Xiaofeng

2018-03-01

The discrete particle-based dynamic lattice method (DLM) offers an approach to simulate elastic wave propagation in anisotropic media by calculating the anisotropic micromechanical interactions between these particles based on the directions of the bonds that connect them in the lattice. To build such a lattice, the media are discretized into particles. This discretization inevitably leads to numerical dispersion. The basic lattice unit used in the original DLM only includes interactions between the central particle and its nearest neighbours; therefore, it represents the first-order form of a particle lattice. The first-order lattice suffers from numerical dispersion compared with other numerical methods, such as high-order finite-difference methods, in terms of seismic wave simulation. Due to its unique way of discretizing the media, the particle-based DLM no longer solves elastic wave equations; this means that one cannot build a high-order DLM by simply creating a high-order discrete operator to better approximate a partial derivative operator. To build a high-order DLM, we carry out a thorough dispersion analysis of the method and discover that by adding more neighbouring particles into the lattice unit, the DLM will yield different spatial accuracy. According to the dispersion analysis, the high-order DLM presented here can adapt the requirement of spatial accuracy for seismic wave simulations. For any given spatial accuracy, we can design a corresponding high-order lattice unit to satisfy the accuracy requirement. Numerical tests show that the high-order DLM improves the accuracy of elastic wave simulation in anisotropic media.

Mechanical characterization of disordered and anisotropic cellular monolayers

Science.gov (United States)

Nestor-Bergmann, Alexander; Johns, Emma; Woolner, Sarah; Jensen, Oliver E.

2018-05-01

We consider a cellular monolayer, described using a vertex-based model, for which cells form a spatially disordered array of convex polygons that tile the plane. Equilibrium cell configurations are assumed to minimize a global energy defined in terms of cell areas and perimeters; energy is dissipated via dynamic area and length changes, as well as cell neighbor exchanges. The model captures our observations of an epithelium from a Xenopus embryo showing that uniaxial stretching induces spatial ordering, with cells under net tension (compression) tending to align with (against) the direction of stretch, but with the stress remaining heterogeneous at the single-cell level. We use the vertex model to derive the linearized relation between tissue-level stress, strain, and strain rate about a deformed base state, which can be used to characterize the tissue's anisotropic mechanical properties; expressions for viscoelastic tissue moduli are given as direct sums over cells. When the base state is isotropic, the model predicts that tissue properties can be tuned to a regime with high elastic shear resistance but low resistance to area changes, or vice versa.

First-principles study of structural and elastic properties of monoclinic and orthorhombic BiMnO3

International Nuclear Information System (INIS)

Mei Zhigang; Shang Shunli; Wang Yi; Liu Zikui

2010-01-01

The structural and elastic properties of BiMnO 3 with monoclinic (C 2/c) and orthorhombic (Pnma) ferromagnetic (FM) structures have been studied by first-principles calculations within LDA + U and GGA + U approaches. The equilibrium volumes and bulk moduli of BiMnO 3 phases are evaluated by equation of state (EOS) fittings, and the bulk properties predicted by LDA + U calculations are in better agreement with experiment. The orthorhombic phase is found to be more stable than the monoclinic phase at ambient pressure. A monoclinic to monoclinic phase transition is predicted to occur at a pressure of about 10 GPa, which is ascribed to magnetism versus volume instability of monoclinic BiMnO 3 . The single-crystal elastic stiffness constants c ij s of the monoclinic and orthorhombic phases are investigated using the stress-strain method. The c 46 of the monoclinic phase is predicted to be negative. In addition, the polycrystalline elastic properties including bulk modulus, shear modulus, Young's modulus, bulk modulus-shear modulus ratio, Poisson's ratio, and elastic anisotropy ratio are determined based on the calculated elastic constants. The presently predicted phase transition and elastic properties open new directions for investigation of the phase transitions in BiMnO 3 , and provide helpful guidance for the future elastic constant measurements.

The elastic and thermodynamic properties of ZrMo2 from first principles calculations

International Nuclear Information System (INIS)

Liu, Xian-Kun; Zhou, Wei; Zheng, Zhou; Peng, Shu-Ming

2014-01-01

Highlights: • Elastic and thermodynamic properties of ZrMo 2 under high temperature and pressure are calculated by first principles. • Mechanical stability is testified from elastic constants at zero pressure. • Phonon scattering of ZrMo 2 under different temperature are obtained. - Abstract: The elastic and thermodynamic properties of ZrMo 2 under high temperature and pressure are investigated by first-principles calculations based on pseudopotential plane-wave density functional theory (DFT) within the generalized gradient approximation (GGA) and quasi-harmonic Debye model. The calculated lattice parameters are in good agreement with the available experimental data. The calculated elastic constants of ZrMo 2 increase monotonically with increasing pressure, and the relationship between the elastic constants and pressure show that ZrMo 2 satisfies the mechanical stability criteria under applied pressure (0–65 GPa). The related mechanical properties such as bulk modulus (B), shear modulus (G), Young’s modulus (E), and Poisson’s ratio (v) are also studied for polycrystalline of ZrMo 2 . The calculated B/G value shows that ZrMo 2 behaves in a ductile manner, and higher pressure can significantly improve the ductility of ZrMo 2 . The pressure and temperature dependencies of the relative volume, the bulk modulus, the elastic constants, the heat capacity and the thermal expansion coefficient, as well as the Grüneisen parameters are obtained and discussed by the quasi-harmonic Debye model in the ranges of 0–1800 K and 0–65 GPa

Studies of Sound Absorption by and Transmission Through Layers of Elastic Noise Control Foams: Finite Element Modeling and Effects of Anisotropy

Science.gov (United States)

Kang, Yeon June

In this thesis an elastic-absorption finite element model of isotropic elastic porous noise control materials is first presented as a means of investigating the effects of finite dimension and edge constraints on the sound absorption by, and transmission through, layers of acoustical foams. Methods for coupling foam finite elements with conventional acoustic and structural finite elements are also described. The foam finite element model based on the Biot theory allows for the simultaneous propagation of the three types of waves known to exist in an elastic porous material. Various sets of boundary conditions appropriate for modeling open, membrane-sealed and panel-bonded foam surfaces are formulated and described. Good agreement was achieved when finite element predictions were compared with previously established analytical results for the plane wave absorption coefficient and transmission loss in the case of wave propagation both in foam-filled waveguides and through foam-lined double panel structures of infinite lateral extent. The primary effect of the edge constraints of a foam layer was found to be an acoustical stiffening of the foam. Constraining the ends of the facing panels in foam-lined double panel systems was also found to increase the sound transmission loss significantly in the low frequency range. In addition, a theoretical multi-dimensional model for wave propagation in anisotropic elastic porous materials was developed to study the effect of anisotropy on the sound transmission of foam-lined noise control treatments. The predictions of the theoretical anisotropic model have been compared with experimental measurements for the random incidence sound transmission through double panel structure lined with polyimide foam. The predictions were made by using the measured and estimated macroscopic physical parameters of polyimide foam samples which were known to be anisotropic. It has been found that the macroscopic physical parameters in the direction

Elastic properties of Sr- and Mg-doped lanthanum gallate at elevated temperature

Science.gov (United States)

Okamura, T.; Shimizu, S.; Mogi, M.; Tanimura, M.; Furuya, K.; Munakata, F.

The elastic moduli, i.e., Young's modulus, shear modulus and Poisson's ratio, of a sintered La 0.9Sr 0.1Ga 0.8Mg 0.2O 3- δ bulk have been experimentally determined in the temperature range from room temperature to 1373 K using a resonance technique. Anomalous elastic properties were observed over a wide temperature range from 473 to 1173 K. In the results for internal friction and in X-ray diffraction measurements at elevated temperature, two varieties of structural changes were seen in La 0.9Sr 0.1Ga 0.8Mg 0.2O 3- δ in the examined temperature range. The results agreed with the findings of a previous crystallographic study of the same composition system by Slater et al. In addition, the temperature range in which a successive structural change occurred in La 0.9Sr 0.1Ga 0.8Mg 0.2O 3- δ was the same as that exhibiting the anomalous elastic properties. Taking all the results together, it can be inferred that the successive structural change in the significant temperature range is responsible for the elastic property anomaly of La 0.9Sr 0.1Ga 0.8Mg 0.2O 3- δ.

Bulk microstructure and local elastic properties of carbon nanocomposites studied by impulse acoustic microscopy technique

Science.gov (United States)

Levin, V.; Petronyuk, Yu.; Morokov, E.; Chernozatonskii, L.; Kuzhir, P.; Fierro, V.; Celzard, A.; Bellucci, S.; Bistarelli, S.; Mastrucci, M.; Tabacchioni, I.

2016-05-01

Bulk microstructure and elastic properties of epoxy-nanocarbon nanocomposites for diverse types and different content of carbon nanofiller has been studied by using impulse acoustic microscopy technique. It has been shown occurrence of various types of mesoscopic structure formed by nanoparticles inside the bulk of nanocomposite materials, including nanoparticle conglomerates and nanoparticle aerogel systems. In spite of the bulk microstructure, nanocarbon composites demonstrate elastic uniformity and negligible influence of nanofiller on elastic properties of carbon nanocomposite materials.

Anisotropic characterization of magnetorheological materials

Energy Technology Data Exchange (ETDEWEB)

Dohmen, E., E-mail: eike.dohmen@tu-dresden.de; Modler, N.; Gude, M.

2017-06-01

For the development of energy efficient lightweight parts novel function integrating materials are needed. Concerning this field of application magnetorheological (MR) fluids, MR elastomers and MR composites are promising materials allowing the adjustment of mechanical properties by an external magnetic field. A key issue for operating such structures in praxis is the magneto-mechanical description. Most rheological properties are gathered at laboratory conditions for high magnetic flux densities and a single field direction, which does not correspond to real praxis conditions. Although anisotropic formation of superstructures can be observed in MR suspensions (Fig. 1) or experimenters intentionally polymerize MR elastomers with anisotropic superstructures these MR materials are usually described in an external magnetic field as uniform, isotropic materials. This is due to missing possibilities for experimentally measuring field angle dependent properties and ways of distinguishing between material properties and frictional effects. Just a few scientific works experimentally investigated the influence of different field angles (Ambacher et al., 1992; Grants et al., 1990; Kuzhir et al., 2003) or the influence of surface roughness on the shear behaviour of magnetic fluids (Tang and Conrad, 1996) . The aim of this work is the introduction of a novel field angle cell allowing the determination of anisotropic mechanical properties for various MR materials depending on the applied magnetic field angle. - Highlights: • Novel magnetic field angle testing device (MFATD) presented. • Determination of magnetic field dependent anisotropic mechanical properties. • Experimental data for different field directions shown for a commercial MR fluid. • Material description of MR fluids as transversal-isotropic solids. • Magnetic field angle dependent variations in shear stresses experimentally measured. • Determination of frictional coefficients between the MR fluid and

Si96: A New Silicon Allotrope with Interesting Physical Properties

Directory of Open Access Journals (Sweden)

Qingyang Fan

2016-04-01

Full Text Available The structural mechanical properties and electronic properties of a new silicon allotrope Si96 are investigated at ambient pressure by using a first-principles calculation method with the ultrasoft pseudopotential scheme in the framework of generalized gradient approximation. The elastic constants and phonon calculations reveal that Si96 is mechanically and dynamically stable at ambient pressure. The conduction band minimum and valence band maximum of Si96 are at the R and G point, which indicates that Si96 is an indirect band gap semiconductor. The anisotropic calculations show that Si96 exhibits a smaller anisotropy than diamond Si in terms of Young’s modulus, the percentage of elastic anisotropy for bulk modulus and shear modulus, and the universal anisotropic index AU. Interestingly, most silicon allotropes exhibit brittle behavior, in contrast to the previously proposed ductile behavior. The void framework, low density, and nanotube structure make Si96 quite attractive for applications such as hydrogen storage and electronic devices that work at extreme conditions, and there are potential applications in Li-battery anode materials.

Theoretical studies of the pressure-induced phase transition and elastic properties of BeS

Energy Technology Data Exchange (ETDEWEB)

Ji, Xu [College of Polymer Science and Engineering, Sichuan University, Chengdu 610065 (China); College of Chemical Engineering, Sichuan University, Chengdu 610065 (China); Yu, Yang, E-mail: yuyang@scu.edu.cn [Department of Logistics Management, Sichuan University, Chengdu 610065 (China); Ji, Junyi [College of Chemical Engineering, Sichuan University, Chengdu 610065 (China); Long, Jianping [College of Materials and Chemistry and Chemical Engineering, Chengdu University of Technology, Chengdu 610059 (China); Chen, Jianjun; Liu, Daijun [College of Chemical Engineering, Sichuan University, Chengdu 610065 (China)

2015-02-25

Highlights: • Transition pressure from B3 to B8 of BeS is 58.86 GPa. • Elastic properties of BeS under pressure are predicted for the first time. • Elastic moduli of BeS increase monotonically with increasing pressure. • Elastic anisotropy of BeS has been investigated. - Abstract: First-principles calculations were performed to investigate the structural, electronic and elastic properties of BeS in both B3 and B8 structures. The structural phase transition from B3 to B8 occurs at 58.86 GPa with a volume decrease of 10.74%. The results of the electronic band structure show that the energy gap is indirect for B3 and B8 phases. The pressure dependence of the direct and indirect band gaps for BeS has been investigated. Especially, the elastic constants of B8 BeS under high pressure have been studied for the first time. The mechanical stability of the two phases has been discussed based on the pressure dependence of the elastic constants. In addition, the pressure dependence of bulk modulus, shear modulus, Young’s modulus, elastic wave velocities and brittle–ductile behavior of BeS are all successfully obtained. Finally, the elastic anisotropy has been investigated by using two different methods.

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

DEFF Research Database (Denmark)

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

2010-01-01

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

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

DEFF Research Database (Denmark)

Laradji, Mohamed; Mouritsen, Ole G.

2000-01-01

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

Development of elastic properties of Cu-based shape memory alloys during martensitic transformation

Czech Academy of Sciences Publication Activity Database

Novák, Václav; Landa, Michal; Šittner, Petr

2004-01-01

Roč. 115, - (2004), s. 363 ISSN 1155-4339 Institutional research plan: CEZ:AV0Z1010914 Keywords : Cu-based shape memory alloy s * elastic properties * elastic constants * modelling Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.294, year: 2004

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

Energy Technology Data Exchange (ETDEWEB)

Yang Junwei [Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 (China); Chen Xiangrong, E-mail: x.r.chen@tom.co [Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 (China); International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang 110016 (China); Luo Fen [Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 (China); Ji Guangfu [Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, Chinese Academy of Engineering Physics, Mianyang 621900 (China)

2009-11-01

The structure, elastic properties and elastic anisotropy of orthorhombic OsB{sub 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{sub 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{sub 2} tend to increase with increasing pressure. It is predicted that OsB{sub 2} is not a superhard material from our calculations.

In-plane microwave dielectric properties of paraelectric barium strontium titanate thin films with anisotropic epitaxy

Science.gov (United States)

Simon, W. K.; Akdogan, E. K.; Safari, A.; Bellotti, J. A.

2005-08-01

In-plane dielectric properties of ⟨110⟩ oriented epitaxial (Ba0.60Sr0.40)TiO3 thin films in the thickness range from 25-1200nm have been investigated under the influence of anisotropic epitaxial strains from ⟨100⟩ NdGaO3 substrates. The measured dielectric properties show strong residual strain and in-plane directional dependence. Below 150nm film thickness, there appears to be a phase transition due to the anisotropic nature of the misfit strain relaxation. In-plane relative permittivity is found to vary from as much as 500-150 along [11¯0] and [001] respectively, in 600nm thick films, and from 75 to 500 overall. Tunability was found to vary from as much as 54% to 20% in all films and directions, and in a given film the best tunability is observed along the compressed axis in a mixed strain state, 54% along [11¯0] in the 600nm film for example.

Multiscale properties of unconventional reservoir rocks

Science.gov (United States)

Woodruff, W. F.

A multidisciplinary study of unconventional reservoir rocks is presented, providing the theory, forward modeling and Bayesian inverse modeling approaches, and laboratory protocols to characterize clay-rich, low porosity and permeability shales and mudstones within an anisotropic framework. Several physical models characterizing oil and gas shales are developed across multiple length scales, ranging from microscale phenomena, e.g. the effect of the cation exchange capacity of reactive clay mineral surfaces on water adsorption isotherms, and the effects of infinitesimal porosity compaction on elastic and electrical properties, to meso-scale phenomena, e.g. the role of mineral foliations, tortuosity of conduction pathways and the effects of organic matter (kerogen and hydrocarbon fractions) on complex conductivity and their connections to intrinsic electrical anisotropy, as well as the macro-scale electrical and elastic properties including formulations for the complex conductivity tensor and undrained stiffness tensor within the context of effective stress and poroelasticity. Detailed laboratory protocols are described for sample preparation and measurement of these properties using spectral induced polarization (SIP) and ultrasonics for the anisotropic characterization of shales for both unjacketed samples under benchtop conditions and jacketed samples under differential loading. An ongoing study of the effects of kerogen maturation through hydrous pyrolysis on the complex conductivity is also provided in review. Experimental results are catalogued and presented for various unconventional formations in North America including the Haynesville, Bakken, and Woodford shales.

On asymptotic analysis of spectral problems in elasticity

Directory of Open Access Journals (Sweden)

S.A. Nazarov

Full Text Available The three-dimensional spectral elasticity problem is studied in an anisotropic and inhomogeneous solid with small defects, i.e., inclusions, voids, and microcracks. Asymptotics of eigenfrequencies and the corresponding elastic eigenmodes are constructed and justified. New technicalities of the asymptotic analysis are related to variable coefficients of differential operators, vectorial setting of the problem, and usage of intrinsic integral characteristics of defects. The asymptotic formulae are developed in a form convenient for application in shape optimization and inverse problems.

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

Science.gov (United States)

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.

The integration of elastic wave properties and machine learning for the distribution of petrophysical properties in reservoir modeling

Science.gov (United States)

Ratnam, T. C.; Ghosh, D. P.; Negash, B. M.

2018-05-01

Conventional reservoir modeling employs variograms to predict the spatial distribution of petrophysical properties. This study aims to improve property distribution by incorporating elastic wave properties. In this study, elastic wave properties obtained from seismic inversion are used as input for an artificial neural network to predict neutron porosity in between well locations. The method employed in this study is supervised learning based on available well logs. This method converts every seismic trace into a pseudo-well log, hence reducing the uncertainty between well locations. By incorporating the seismic response, the reliance on geostatistical methods such as variograms for the distribution of petrophysical properties is reduced drastically. The results of the artificial neural network show good correlation with the neutron porosity log which gives confidence for spatial prediction in areas where well logs are not available.

The problem solution on wedge penetration in an initially anisotropic medium within the rigid-plastic scheme

Science.gov (United States)

Chanyshev, AI; Abdulin, IM

2018-03-01

Two problems are solved in the paper: on ultimate loads in the initial stage of indentation of an absolutely rigid smooth wedge into a layer of an initially anisotropic plastic medium and in the final stage when the tool penetrates through the layer. The problems are solved with Chanyshev’s constitutive relations of plasticity of the initially anisotropic medium based on use of the eigen elasticity tensors.

Mechanical metamaterials at the theoretical limit of isotropic elastic stiffness

Science.gov (United States)

Berger, J. B.; Wadley, H. N. G.; McMeeking, R. M.

2017-02-01

A wide variety of high-performance applications require materials for which shape control is maintained under substantial stress, and that have minimal density. Bio-inspired hexagonal and square honeycomb structures and lattice materials based on repeating unit cells composed of webs or trusses, when made from materials of high elastic stiffness and low density, represent some of the lightest, stiffest and strongest materials available today. Recent advances in 3D printing and automated assembly have enabled such complicated material geometries to be fabricated at low (and declining) cost. These mechanical metamaterials have properties that are a function of their mesoscale geometry as well as their constituents, leading to combinations of properties that are unobtainable in solid materials; however, a material geometry that achieves the theoretical upper bounds for isotropic elasticity and strain energy storage (the Hashin-Shtrikman upper bounds) has yet to be identified. Here we evaluate the manner in which strain energy distributes under load in a representative selection of material geometries, to identify the morphological features associated with high elastic performance. Using finite-element models, supported by analytical methods, and a heuristic optimization scheme, we identify a material geometry that achieves the Hashin-Shtrikman upper bounds on isotropic elastic stiffness. Previous work has focused on truss networks and anisotropic honeycombs, neither of which can achieve this theoretical limit. We find that stiff but well distributed networks of plates are required to transfer loads efficiently between neighbouring members. The resulting low-density mechanical metamaterials have many advantageous properties: their mesoscale geometry can facilitate large crushing strains with high energy absorption, optical bandgaps and mechanically tunable acoustic bandgaps, high thermal insulation, buoyancy, and fluid storage and transport. Our relatively simple

Low-temperature elastic properties of YbSbPt probed by ultrasound measurements

Science.gov (United States)

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.

Elastic response of thermal spray deposits under indentation tests

International Nuclear Information System (INIS)

Leigh, S.H.; Lin, C.K.; Berndt, C.C.

1997-01-01

The elastic response behavior of thermal spray deposits at Knoop indentations has been investigated using indentation techniques. The ration of hardness to elastic modulus, which is an important prerequisite for the evaluation of indentation fracture toughness, is determined by measuring the elastic recovery of the in-surface dimensions of Knoop indentations. The elastic moduli of thermal spray deposits are in the range of 12%--78% of the comparable bulk materials and reveal the anisotropic behavior of thermal spray deposits. A variety of thermal spray deposits has been examined, including Al 2 O 3 , yttria-stabilized ZrO 2 (YSZ), and NiAl. Statistical tools have been used to evaluate the error estimates of the data

Local elastic properties of nano-confined fluids: A density functional study

Energy Technology Data Exchange (ETDEWEB)

Sun, Zongli, E-mail: zongli_sun@163.com [Science and Technology College, North China Electric Power University, Baoding 071051 (China); Kang, Yanshuang [College of Science, Agriculture University of Hebei, Baoding 071001 (China)

2014-05-01

The understanding of mechanical properties of confined fluids is essential for modeling and manipulating of nano-scaled systems. Unlike the uniform phase, the confined fluids usually display different features in structure and related properties. Due to the presence of the confining geometry, the density profile and many physical and chemical properties may be position-dependent. The aim of our research is to derive an expression for the local elastic property by using the classical elastic theory. Both the bulk and shear moduli are expressed as functional of density of particle. The theoretical result derived is applied to the Lennard-Jones fluids confined in nano-cavity. Comparison of our numerical result and the simulation result is made and qualitative agreement is observed. Further, influence of bulk density, temperature and external potential on moduli is calculated and the physical mechanism is analyzed. Relationship between contact modulus and the interfacial tension is also calculated. Their opposite trend with temperature is observed.

Local elastic properties of nano-confined fluids: A density functional study

International Nuclear Information System (INIS)

Sun, Zongli; Kang, Yanshuang

2014-01-01

The understanding of mechanical properties of confined fluids is essential for modeling and manipulating of nano-scaled systems. Unlike the uniform phase, the confined fluids usually display different features in structure and related properties. Due to the presence of the confining geometry, the density profile and many physical and chemical properties may be position-dependent. The aim of our research is to derive an expression for the local elastic property by using the classical elastic theory. Both the bulk and shear moduli are expressed as functional of density of particle. The theoretical result derived is applied to the Lennard-Jones fluids confined in nano-cavity. Comparison of our numerical result and the simulation result is made and qualitative agreement is observed. Further, influence of bulk density, temperature and external potential on moduli is calculated and the physical mechanism is analyzed. Relationship between contact modulus and the interfacial tension is also calculated. Their opposite trend with temperature is observed.

Characterisation of anisotropic etching in KOH using network etch rate function model: influence of an applied potential in terms of microscopic properties

International Nuclear Information System (INIS)

Nguyen, Q D; Elwenspoek, M

2006-01-01

Using the network etch rate function model, the anisotropic etch rate of p-type single crystal silicon was characterised in terms of microscopic properties including step velocity, step and terrace roughening. The anisotropic etch rate data needed have been obtained using a combination of 2 wagon wheel patterns on different substrate and 1 offset trench pattern. Using this procedure the influence of an applied potential has been investigated in terms of microscopic properties. Model parameter trends show a good correlation with chemical/electrochemical reaction mechanism and mono- and dihydride terminated steps reactivity difference. Results also indicate a minimum in (111) terrace roughening which results in a peak in anisotropic ratio at the non-OCP applied potential of -1250 mV vs OCP

Acoustic and elastic properties of Sn2P2S6 crystals

International Nuclear Information System (INIS)

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

2009-01-01

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

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

Science.gov (United States)

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

2009-07-01

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

Elastic Properties of Tricalcium Aluminate from High-Pressure Experiments and First-Principles Calculations

KAUST Repository

Moon, Juhyuk

2012-06-04

The structure and elasticity of tricalcium aluminate (C 3A) have been experimentally and theoretically studied. From high-pressure X-ray diffraction experiments, the bulk modulus of 102(6) and 110(3) GPa were obtained by fitting second- and third-order finite strain equation of state, respectively. First-principles calculations with a generalized gradient approximation gave an isotropic bulk modulus of 102.1 GPa and an isothermal bulk modulus of 106.0 GPa. The static calculations using the exchange-correlation functional show an excellent agreement with the experimental measurements. Based on the agreement, accurate elastic constants and other elastic moduli were computed. The slight difference of behavior at high pressure can be explained by the infiltration of pressure-transmitting silicone oil into structural holes in C 3A. The computed elastic and mechanical properties will be useful in understanding structural and mechanical properties of cementitious materials, particularly with the increasing interest in the advanced applications at the nanoscale. © 2012 The American Ceramic Society.

Elastic Properties of Tricalcium Aluminate from High-Pressure Experiments and First-Principles Calculations

KAUST Repository

Moon, Juhyuk; Yoon, Seyoon; Wentzcovitch, Renata M.; Clark, Simon M.; Monteiro, Paulo J.M.

2012-01-01

The structure and elasticity of tricalcium aluminate (C 3A) have been experimentally and theoretically studied. From high-pressure X-ray diffraction experiments, the bulk modulus of 102(6) and 110(3) GPa were obtained by fitting second- and third-order finite strain equation of state, respectively. First-principles calculations with a generalized gradient approximation gave an isotropic bulk modulus of 102.1 GPa and an isothermal bulk modulus of 106.0 GPa. The static calculations using the exchange-correlation functional show an excellent agreement with the experimental measurements. Based on the agreement, accurate elastic constants and other elastic moduli were computed. The slight difference of behavior at high pressure can be explained by the infiltration of pressure-transmitting silicone oil into structural holes in C 3A. The computed elastic and mechanical properties will be useful in understanding structural and mechanical properties of cementitious materials, particularly with the increasing interest in the advanced applications at the nanoscale. © 2012 The American Ceramic Society.

Thermodynamic and elastic properties of hexagonal ZnO under high temperature

International Nuclear Information System (INIS)

Wang, Feng; Wu, Jinghe; Xia, Chuanhui; Hu, Chenghua; Hu, Chunlian; Zhou, Ping; Shi, Lingna; Ji, Yanling; Zheng, Zhou; Liu, Xiankun

2014-01-01

Highlights: • A new method is applied to predict crystal constants of hexagonal crystal under high temperature. • Elastic properties of ZnO under high temperature are obtained exactly. • Thermodynamic properties of ZnO under high temperature are attained too. - Abstract: Studies on thermodynamic and elastic properties of hexagonal ZnO (wurtzite structure) under high temperature have not been reported usually from no matter experimental or theoretic methods. In this work, we study these properties by ab-initio together with quasi-harmonic Debye model. The value of C v tends to the Petit and Dulong limit at high temperature under any pressure, 49.73 J/mol K. And C v is greatly limited by pressure at intermediate temperatures. Nevertheless, the limit effect on C v caused by pressure is not obvious under low as well as very high temperature. The thermal expansions along a or c axis are almost same under temperature, which increase with temperature like a parabola. C 11 , C 33 , C 12 and C 13 decrease with temperature a little, which means that mechanics properties are weakened respectively

Elastic properties of LaSnxNi5-x compounds

International Nuclear Information System (INIS)

Yeheskel, O.; Nattrass, C.E.; Leisure, R.G.; Jacob, I.; Bowman, R.C. Jr.

2004-01-01

Ultrasonic methods were used to measure the room-temperature elastic moduli of polycrystalline LaSn x Ni 5-x compounds for 0≤x≤0.5. These materials are of great importance for their hydrogen storage properties. The samples, prepared by a hot isostatic pressing method, had near-theoretical densities with calculated porosities ranging from 0 to 1.5%. The porosity-corrected moduli decreased with increasing x. Poisson's ratio was approximately constant at 0.314 for all the compounds. The Debye temperature, calculated from the RT polycrystalline moduli, decreased from 359 to 344 K as x increased from 0 to 0.5. The results were used to calculate the elastic interaction energy of an interstitial hydrogen atom with the strain fields of all the other interstitial hydrogen. This energy was in turn used to calculate the critical temperature below which phase separation occurs in LaM x Ni 5-x H y compounds (M=Sn or Al). It was found that the critical temperature decreases with increasing x, confirming in a more general way a conclusion drawn for a specific case from earlier thermodynamic measurements. It is suggested that the lowering of the critical temperature plays a role in limiting the width of the plateaus in pressure-composition isotherms for the two-phase regions of these compounds. This suggestion implies a relation between the elastic properties and the maximum hydrogen capacity

Mechanical Properties and Elastic Constants Due to Damage Accumulation and Amorphization in SiC

International Nuclear Information System (INIS)

Gao, Fei; Weber, William J.

2004-01-01

Damage accumulation due to cascade overlap, which was simulated previously, has been used to study the changes of elastic constants, bulk and elastic moduli as a function of dose. These mechanical properties generally decrease with increasing dose, and the rapid decrease at low-dose level indicates that point defects and small clusters play an important role in the changes of elastic constants rather than topological disorder. The internal strain relaxation has no effect on the elastic constants, C11 and C12, in perfect SiC, but it has a significant influence on all elastic constants calculated in damaged SiC. The elastic constants in the cascade-amorphized (CA) SiC decrease about 19%, 29% and 46% for C11, C12 and C44, respectively. The bulk modulus decrease 23% and the elastic modulus decreases 29%, which is consistent with experimental measurements. The stability of both the perfect SiC and CA-SiC under hydrostatic tension has been also investigated. All mechanical properties in the CA-SiC exhibit behavior similar to that in perfect SiC, but the critical stress at which the CA-SiC becomes structurally unstable is one order of magnitude smaller than that for perfect SiC

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

Indian Academy of Sciences (India)

experimental data and previous theoretical results, showing no phase transition ... and theoretical [2,9–11] studies have been dedicated to deter- ..... [33] introduced a simple relationship that empirically links the plastic properties of materials with their elastic moduli. The shear modulus G represents the resistance to plastic.

An anisotropic elastoplastic constitutive formulation generalised for orthotropic materials

Science.gov (United States)

Mohd Nor, M. K.; Ma'at, N.; Ho, C. S.

2018-03-01

This paper presents a finite strain constitutive model to predict a complex elastoplastic deformation behaviour that involves very high pressures and shockwaves in orthotropic materials using an anisotropic Hill's yield criterion by means of the evolving structural tensors. The yield surface of this hyperelastic-plastic constitutive model is aligned uniquely within the principal stress space due to the combination of Mandel stress tensor and a new generalised orthotropic pressure. The formulation is developed in the isoclinic configuration and allows for a unique treatment for elastic and plastic orthotropy. An isotropic hardening is adopted to define the evolution of plastic orthotropy. The important feature of the proposed hyperelastic-plastic constitutive model is the introduction of anisotropic effect in the Mie-Gruneisen equation of state (EOS). The formulation is further combined with Grady spall failure model to predict spall failure in the materials. The proposed constitutive model is implemented as a new material model in the Lawrence Livermore National Laboratory (LLNL)-DYNA3D code of UTHM's version, named Material Type 92 (Mat92). The combination of the proposed stress tensor decomposition and the Mie-Gruneisen EOS requires some modifications in the code to reflect the formulation of the generalised orthotropic pressure. The validation approach is also presented in this paper for guidance purpose. The \\varvec{ψ} tensor used to define the alignment of the adopted yield surface is first validated. This is continued with an internal validation related to elastic isotropic, elastic orthotropic and elastic-plastic orthotropic of the proposed formulation before a comparison against range of plate impact test data at 234, 450 and {895 ms}^{-1} impact velocities is performed. A good agreement is obtained in each test.

Optimization and verification of ultrasonic testability of acoustically anisotropic materials on austenitic and dissimilar welds

International Nuclear Information System (INIS)

Pudovikov, Sergey

2013-01-01

Austenitic and dissimilar welds with respect to the ultrasonic testing (UT) methods are considered normally as ''difficult-to-test'' objects. During the solidification process in such welds a distinct dendrite microstructure evolves, which is coarse-grained, anisotropic and inhomogeneous simultaneously. The reliability of available ultrasonic methods on austenitic welds depends significantly on the selected UT-parameters as well as on the inspection personnel experience. In the present dissertation, an ultrasonic testing method was developed, which allows the flaw detection and evaluation in acoustically anisotropic inhomogeneous materials, especially in austenitic and dissimilar welds with a quantitative statement to the defect size, type, and location. The principle of synthetic focusing with taking into account the material anisotropy and inhomogeneity along with two- and three-dimensional visualization provides a reliable and quantitative assessment of the inspection results in acoustically anisotropic inhomogeneous test objects. Among others, an iterative algorithm for the determination of unknown elastic properties of inhomogeneous anisotropic materials has been developed. It allows practical application of the developed UT method, since the anisotropy of most of austenitic and dissimilar welds (especially of hand-welded joints) in practice is usually unknown. The functionality of the developed inspection technique has been validated by many experiments on welded austenitic specimens having artificial and natural defects. For the practical application of the new ultrasonic technique different testing strategies are proposed, which can be used depending on the current inspection task.

Surface elastic properties in silicon nanoparticles

Science.gov (United States)

Melis, Claudio; Giordano, Stefano; Colombo, Luciano

2017-09-01

The elastic behavior of the external surface of a solid body plays a key role in nanomechanical phenomena. While bulk elasticity enjoys the benefits of a robust theoretical understanding, many surface elasticity features remain unexplored: some of them are here addressed by blending together continuum elasticity and atomistic simulations. A suitable readdressing of the surface elasticity theory allows to write the balance equations in arbitrary curvilinear coordinates and to investigate the dependence of the surface elastic parameters on the mean and Gaussian curvatures of the surface. In particular, we predict the radial strain induced by surface effects in spherical and cylindrical silicon nanoparticles and provide evidence that the surface parameters are nearly independent of curvatures and, therefore, of the surface conformation.

Controlling elastic waves with small phononic crystals containing rigid inclusions

KAUST Repository

Peng, Pai

2014-05-01

We show that a two-dimensional elastic phononic crystal comprising rigid cylinders in a solid matrix possesses a large complete band gap below a cut-off frequency. A mechanical model reveals that the band gap is induced by negative effective mass density, which is affirmed by an effective medium theory based on field averaging. We demonstrate, by two examples, that such elastic phononic crystals can be utilized to design small devices to control low-frequency elastic waves. One example is a waveguide made of a two-layer anisotropic elastic phononic crystal, which can guide and bend elastic waves with wavelengths much larger than the size of the waveguide. The other example is the enhanced elastic transmission of a single-layer elastic phononic crystal loaded with solid inclusions. The effective mass density and reciprocal of the modulus of the single-layer elastic phononic crystal are simultaneously near zero. © CopyrightEPLA, 2014.

Silicon as an anisotropic mechanical material

DEFF Research Database (Denmark)

Thomsen, Erik Vilain; Reck, Kasper; Skands, Gustav Erik

2014-01-01

While silicon is an anisotropic material it is often in literature treated as an isotropic material when it comes to plate calculations. This leads to considerable errors in the calculated deflection. To overcome this problem, we present an in-depth analysis of the bending behavior of thin crysta...... analytical models involving crystalline plates, such as those often found in the field of micro electro mechanical systems. The effect of elastic boundary conditions is taken into account by using an effective radius of the plate....

Molecular dynamics investigation of the elastic and fracture properties of the R-graphyne under uniaxial tension

Energy Technology Data Exchange (ETDEWEB)

Rouhi, Saeed, E-mail: s_rouhi@iaul.ac.ir

2017-05-15

In this paper, the mechanical properties of the R-graphynes are investigated by using molecular dynamics simulations. For this purpose, the uniaxial strain is applied on the nanosheets. The effects of R-graphyne chirality and dimension on their fracture and elastic properties are investigated. It is shown that the fracture properties of the armchair R-graphyne are approximately independent from the nanosheet sizes. However, a clear dependence is observed in the fracture properties of the zigzag R-graphyne on the nanosheet dimensions. Comparing the elastic modulus of the armchair and zigzag R-graphynes, it is shown that for the same sizes, the elastic modulus of armchair R-graphyne is approximately equal to 2.5 times of the elastic modulus of the zigzag ones. Pursuing the fracture process of R-graphynes with different chiralities, it is represented that the fracture propagates in the zigzag nanosheet with a higher velocity than the armchair ones.

Elastic constants of stressed and unstressed materials in the phase-field crystal model

Science.gov (United States)

Wang, Zi-Le; Huang, Zhi-Feng; Liu, Zhirong

2018-04-01

A general procedure is developed to investigate the elastic response and calculate the elastic constants of stressed and unstressed materials through continuum field modeling, particularly the phase-field crystal (PFC) models. It is found that for a complete description of system response to elastic deformation, the variations of all the quantities of lattice wave vectors, their density amplitudes (including the corresponding anisotropic variation and degeneracy breaking), the average atomic density, and system volume should be incorporated. The quantitative and qualitative results of elastic constant calculations highly depend on the physical interpretation of the density field used in the model, and also importantly, on the intrinsic pressure that usually pre-exists in the model system. A formulation based on thermodynamics is constructed to account for the effects caused by constant pre-existing stress during the homogeneous elastic deformation, through the introducing of a generalized Gibbs free energy and an effective finite strain tensor used for determining the elastic constants. The elastic properties of both solid and liquid states can be well produced by this unified approach, as demonstrated by an analysis for the liquid state and numerical evaluations for the bcc solid phase. The numerical calculations of bcc elastic constants and Poisson's ratio through this method generate results that are consistent with experimental conditions, and better match the data of bcc Fe given by molecular dynamics simulations as compared to previous work. The general theory developed here is applicable to the study of different types of stressed or unstressed material systems under elastic deformation.

Theoretical study of elastic, mechanical and thermodynamic properties of MgRh intermetallic compound

Directory of Open Access Journals (Sweden)

S. Boucetta

2014-03-01

Full Text Available In the last years, Magnesium alloys are known to be of great technological importance and high scientific interest. In this work, density functional theory plane-wave pseudo potential method, with local density approximation (LDA and generalized gradient approximation (GGA are used to perform first-principles quantum mechanics calculations in order to investigate the structural, elastic and mechanical properties of the intermetallic compound MgRh with a CsCl-type structure. Comparison of the calculated equilibrium lattice constant and experimental data shows good agreement. The elastic constants were determined from a linear fit of the calculated stress–strain function according to Hooke's law. From the elastic constants, the bulk modulus B, shear modulus G, Young's modulus E, Poisson's ratio σ, anisotropy factor A and the ratio B/G for MgRh compound are obtained. The sound velocities and Debye temperature are also predicted from elastic constants. Finally, the linear response method has been used to calculate the thermodynamic properties. The temperature dependence of the enthalpy H, free energy F, entropy S, and heat capacity at constant volume Cv of MgRh crystal in a quasi-harmonic approximation have been obtained from phonon density of states and discussed for the first report. This is the first quantitative theoretical prediction of these properties.

Structural, elastic and magnetic properties of Mn and Sb doped chromium nitride – An ab initio study

Energy Technology Data Exchange (ETDEWEB)

Ikram Un Nabi Lone; Sheik Sirajuddeen M Mohamed, E-mail: msheiksiraj@bsauniv.ac.in; Shameem Banu, I.B.; Sathik Basha, S.

2017-05-01

Structural, magnetic and elastic properties of Mn and Sb doped CrN were investigated by the electronic band structure calculations using Full Potential Linear Augmented Plane Wave (FP-LAPW) method. The host compound CrN was doped with Mn and Sb separately, in the doping concentration of 12.5% to replace Cr atoms. The introduction of Mn and Sb atoms replacing the Cr atoms does not change the structural stability of the compound. The changes in magnetic and elastic properties were investigated and compared in GGA and GGA+U methods. The doped CrN undergoes a relative increase in the magnetic order with the substitution of Mn and Sb atoms. In GGA method, the magnetic moments are found to be greater in Mn doped CrN than that found in Sb doped Cr{sub 0.875}NSb{sub 0.125}. When doped with Sb, the elastic moduli such as Young’s modulus, bulk modulus and rigidity modulus show a relative increase in comparison with that in Mn doped CrN. Using Hubbard model in GGA+U method, both the magnetic and elastic properties increase in Mn and Sb doped compounds. - Highlights: • Mn and Sb doped Chromium Nitride. • Structural properties. • Magnetic properties. • Elastic properties.

An H(∞) approach for elasticity properties reconstruction.

Science.gov (United States)

Liu, Huafeng; Hu, Hongjie; Sinusas, Albert J; Shi, Pengcheng

2012-01-01

Quantification of object elasticity properties has significant technical implications as well as important practical applications, such as medical disease diagnosis. In general, given noisy measurements on the kinematic states of the objects from imaging data, the aim is to recover the elasticity parameters for assumed material constitutive models of the objects. The implementation is complicated caused by the large dimensionality of the parameters. Various versions of the least-square (LS) methods have been widely used, which, however, do not perform well under reasonably realistic levels of disturbances. Another popular strategy, based on the extended Kalman filter (EKF), is also far from optimal and subject to divergence if either the initializations are poor or the noises are not Gaussian. In this paper, the authors propose a robust system identification paradigm for the quantitative analysis of object elasticity. It is derived and extended from the H(∞) filtering principles and is particularly powerful for real-world situations where the types and levels of the disturbances are unknown. Using synthetic data, the authors investigate the sensitivity of the strategies toward different types (Gaussian and Poisson) and levels of noises, as well as various initializations. The experimental results show consistently superior performance of the proposed method over the LS and EKF algorithms in reliably identifying object elastic modulus distributions. Results from phase contrast imaging data of canine hearts and human MRI data are also presented, which demonstrate the power of the framework.

Effects of elastic anisotropy on mechanical behavior of intermetallic compounds

International Nuclear Information System (INIS)

Yoo, M.H.

1991-01-01

Fundamental aspects of the deformation and fracture behavior of ordered intermetallic compounds are examined within the framework of linear anisotropic elasticity theory of dislocations and cracks. The orientation dependence and the tension/compression asymmetry of yield stress are explained in terms of the anisotropic coupling effect of non-glide stresses to the glide strain. The anomalous yield behavior is related to the disparity (edge/screw) of dislocation mobility and the critical stress required for the dislocation multiplication mechanism of Frank-Read type. The slip-twin conjugate relationship, extensive faulting, and pseudo-twinning (martensitic transformation) at a crack tip can be enhanced also by the anisotropic coupling effect, which may lead to transformation toughening of shear type

Anisotropic ray trace

Science.gov (United States)

Lam, Wai Sze Tiffany

Optical components made of anisotropic materials, such as crystal polarizers and crystal waveplates, are widely used in many complex optical system, such as display systems, microlithography, biomedical imaging and many other optical systems, and induce more complex aberrations than optical components made of isotropic materials. The goal of this dissertation is to accurately simulate the performance of optical systems with anisotropic materials using polarization ray trace. This work extends the polarization ray tracing calculus to incorporate ray tracing through anisotropic materials, including uniaxial, biaxial and optically active materials. The 3D polarization ray tracing calculus is an invaluable tool for analyzing polarization properties of an optical system. The 3x3 polarization ray tracing P matrix developed for anisotropic ray trace assists tracking the 3D polarization transformations along a ray path with series of surfaces in an optical system. To better represent the anisotropic light-matter interactions, the definition of the P matrix is generalized to incorporate not only the polarization change at a refraction/reflection interface, but also the induced optical phase accumulation as light propagates through the anisotropic medium. This enables realistic modeling of crystalline polarization elements, such as crystal waveplates and crystal polarizers. The wavefront and polarization aberrations of these anisotropic components are more complex than those of isotropic optical components and can be evaluated from the resultant P matrix for each eigen-wavefront as well as for the overall image. One incident ray refracting or reflecting into an anisotropic medium produces two eigenpolarizations or eigenmodes propagating in different directions. The associated ray parameters of these modes necessary for the anisotropic ray trace are described in Chapter 2. The algorithms to calculate the P matrix from these ray parameters are described in Chapter 3 for

Relationship between morphology and electrical properties in PP/MWCNT composites: Processing-induced anisotropic percolation threshold

Energy Technology Data Exchange (ETDEWEB)

Cesano, F., E-mail: federico.cesano@unito.it [Department of Chemistry, NIS (Nanostructured Interfaces and Surfaces) Interdepartmental Centre and INSTM Centro di Riferimento, University of Torino, Via P. Giuria, 7, 10125 Torino (Italy); Zaccone, M. [Proplast, Strada Comunale Savonesa 9, 15057 Rivalta Scrivia, AL (Italy); ECNP, Strada Comunale Savonesa 9, 15057 Rivalta Scrivia, AL (Italy); Armentano, I. [Materials Engineering Center, UdR INSTM, University of Perugia, Str. Pentima 4, 05100 Terni (Italy); Cravanzola, S.; Muscuso, L. [Department of Chemistry, NIS (Nanostructured Interfaces and Surfaces) Interdepartmental Centre and INSTM Centro di Riferimento, University of Torino, Via P. Giuria, 7, 10125 Torino (Italy); Torre, L. [Materials Engineering Center, UdR INSTM, University of Perugia, Str. Pentima 4, 05100 Terni (Italy); Kenny, J.M. [ECNP, Strada Comunale Savonesa 9, 15057 Rivalta Scrivia, AL (Italy); Materials Engineering Center, UdR INSTM, University of Perugia, Str. Pentima 4, 05100 Terni (Italy); Monti, M. [Proplast, Strada Comunale Savonesa 9, 15057 Rivalta Scrivia, AL (Italy); Scarano, D. [Department of Chemistry, NIS (Nanostructured Interfaces and Surfaces) Interdepartmental Centre and INSTM Centro di Riferimento, University of Torino, Via P. Giuria, 7, 10125 Torino (Italy)

2016-09-01

Multi-walled carbon nanotubes (MWCNTs)/polypropylene composites were prepared by melt-mixing, by varying the MWCNT content from 1 to 7 wt%, and samples were manufactured by injection moulding technique. DC electrical characterization was performed by the two-probe method in the three main directions: longitudinal and transversal to the flux of the material during the mould filling, and in the through-thickness direction. Moreover, a dedicated setup was adopted to measure the electrical resistance at different depths of the specimen cross-sectional areas. Two different electrical percolation thresholds, calculated at about 2 wt% and 3 wt% of MWCNTs (longitudinally/transversely to the mould filling flux and in the through-thickness directions, respectively), were found. In order to investigate the role of the structure/morphology of the composites on the electrical properties, samples have been cryofractured, chemically etched and characterized by means of scanning electron microscopy. As a result, the observed anisotropic electrical behaviour was associated with the different network morphology, which was detected in the cross-sectional area, caused by the injection moulding process. Based on the observed through-thickness electrical behaviour, a phenomenological DC conduction model has been developed, describing the sample as a multilayer system, being the external layers (skin) less conductive than the internal region (core). This model, combined with the bulk electrical tests, can be considered as a valuable mathematical tool to foresee the electrical behaviour of MWCNT-based composites for designing new industrial injection-moulded components. - Highlights: • (1–7 wt%) MWCNTs/polypropylene composites are made by injection moulding technique. • The mould temperature is affecting the anisotropic electrical properties. • The anisotropic properties are connected with CNTs dispersion/aggregation. • External layers (skin) are less conductive than the

Diffraction stress analysis of thin films; investigating elastic grain interaction

International Nuclear Information System (INIS)

Kumar, A.

2005-12-01

This work is dedicated to the investigation of specimens exhibiting anisotropic microstructures (and thus macroscopic elastic anisotropy) and/or inhomogeneous microstructures, as met near surfaces and in textured materials. The following aspects are covered: (i) Analysis of specimens with direction-dependent (anisotropic) elastic grain-interaction. Elastic grain-interaction determines the distribution of stresses and strains over the (crystallographically) differently oriented grains of a mechanically stressed polycrystal and the mechanical and diffraction (X-ray) elastic constants (relating (diffraction) lattice strains to mechanical stresses). Grain interaction models that allow for anisotropic, direction-dependent grain interaction have been developed very recently. The notion 'direction-dependent' grain-interaction signifies that different grain-interaction constraints prevail along different directions in a specimen. Practical examples of direction-dependent grain interaction are the occurrence of surface anisotropy in thin films and the surface regions of bulk polycrystals and the occurrence of grain-shape (morphological) texture. In this work, for the first time, stress analyses of thin films have been performed on the basis of these newly developed grain-interaction models. It has also been demonstrated that the identification of the (dominant) source of direction-dependent grain interaction is possible. The results for the grain interaction have been discussed in the light of microstructural investigations of the specimens by microscopic techniques. (ii) Analysis of specimens with depth gradients: Diffraction stress analysis can be hindered if gradients of the stress state, the composition or the microstructure occur in the specimen under investigation, as the so-called information depth varies in the course of a traditional stress measurement: Ambiguous results are thus generally obtained. In this work, a strategy for stress measurements at fixed

Influence of Elastic Anisotropy on Extended Dislocation Nodes

Energy Technology Data Exchange (ETDEWEB)

Pettersson, B

1971-09-15

The interaction forces between the partial dislocations forming an extended dislocation node are calculated using elasticity theory for anisotropic media.s are carried out for nodes of screw, edge and mixed character in Ag, which has an anisotropy ratio A equal to 3, and in a hypothetic material with A = 1 and the same shear modulus as Ag. The results are compared with three previous theories using isotropic elasticity theory. As expected, in Ag the influence of anisotropy is of the same order as the uncertainty due to the dislocation core energy

Preparation and Properties of Anisotropic Nano-crystalline NdFeB Powders Made by Hydrogen Decrepitation of Die Upsetting Magnets

Energy Technology Data Exchange (ETDEWEB)

Yi, P P; Lee, D; Yan, A R, E-mail: ypp@nimte.ac.cn [Ningbo Institute of Material Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China)

2011-01-01

Anisotropic nanocrystalline NdFeB powders were prepared by hydrogen decrepitation (HD) of die upsetting magnets. The effects of varying temperatures of HD on the microstructure and magnetic properties of the anisotropic NdFeB particles were studied. It shows that the powders which obtained by HD process at higher temperature were larger than that at lower temperature, and the HD powders show a well anisotropy at 723 K, the remanence (B{sub r}) was more than 12.46 kG, the maximum energy product ((BH){sub max}) was 19.06 MGOe, and the coercivity (H{sub cj}) was 7.2 kOe. The microstructure of the anisotropic powders revealed that with a reasonable HD temperature, the platelet grains were not destroyed. They were nearly 150-300 nm long and 30-50 nm wide. The results indicate that HD process was an effective way to prepare the anisotropic NdFeB powders.

Elastic and plastic characteristics of a model Cu–Zr amorphous alloy

International Nuclear Information System (INIS)

Nakamura, Akiho; Kamimura, Yasushi; Edagawa, Keiichi; Takeuchi, Shin

2014-01-01

Athermal quasistatic simulation of shear deformation has been conducted for a realistic model Cu–Zr amorphous alloy to investigate characteristic features of elasticity and plasticity of the material. Significant reduction of the shear modulus by nonaffine atomic displacements and appreciable nonlinearity of elasticity have been observed. The fourth-order elastic constant in shear deformation and the ideal shear strength have been evaluated. Plastic deformation has been observed to start with isolated local shear transformations (LSTs) followed by collective LSTs leading to the formation of a shear band. Participation-ratio analysis (PRA) has demonstrated how the nonaffine displacement field converges as the system approaches the critical point of losing structural stability. PRA has also evaluated quantitatively the numbers of atoms participating in LSTs – the average number is about 30. Spatially anisotropic development of nascent shear band on a plane has been shown, attributable to anisotropic internal stress field induced by an LST. The evaluated stresses for the shear-band nucleation and for its propagation have indicated that the yielding in real materials is controlled by the shear-band propagation, as previously pointed out

Optimal determination of the elastic constants of woven 2D SiC/SiC composite materials

International Nuclear Information System (INIS)

Mouchtachi, A; Guerjouma, R El; Baboux, J C; Rouby, D; Bouami, D

2004-01-01

For homogeneous materials, the ultrasonic immersion method, associated with a numerical optimization process mostly based on Newton's algorithm, allows the determination of elastic constants for various synthetic and natural composite materials. Nevertheless, a principal limitation of the existing optimization procedure occurs when the considered material is at the limit of the homogeneous hypothesis. Such is the case of the woven bidirectional SiC matrix and SiC fibre composite material. In this study, we have developed two numerical methods for the determination of the elastic constants of the 2D SiC/SiC composite material (2D SiC/SiC). The first one is based on Newton's algorithm: the elastic constants are obtained by minimizing the square deviation between experimental and calculated velocities. The second method is based on the Levenberg-Marquardt algorithm. We show that these algorithms give the same results in the case of homogeneous anisotropic composite materials. For the 2D SiC/SiC composite material, the two methods, using the same measured velocities, give different sets of elastic constants. We then note that the Levenberg-Marquardt algorithm enables a better convergence towards a global set of elastic constants in good agreement with the elastic properties, which can be measured using classical quasi-static methods

Surface acoustic waves in two dimensional phononic crystal with anisotropic inclusions

Directory of Open Access Journals (Sweden)

Ketata H.

2012-06-01

Full Text Available An analysis is given to the band structure of the two dimensional solid phononic crystal considered as a semi infinite medium. The lattice includes an array of elastic anisotropic materials with different shapes embedded in a uniform matrix. For illustration two kinds of phononic materials are assumed. A particular attention is devoted to the computational procedure which is mainly based on the plane wave expansion (PWE method. It has been adapted to Matlab environment. Numerical calculations of the dispersion curves have been achieved by introducing particular functions which transform motion equations into an Eigen value problem. Significant improvements are obtained by increasing reasonably the number of Fourier components even when a large elastic mismatch is assumed. Such approach can be generalized to different types of symmetry and permit new physical properties as piezoelectricity to be added. The actual semi infinite phononic structure with a free surface has been shown to support surface acoustic waves (SAW. The obtained dispersion curves reveal band gaps in the SAW branches. It has been found that the influence, of the filling factor and anisotropy on their band gaps, is different from that of bulk waves.

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

Science.gov (United States)

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.

Mechanical properties of cancellous bone in the human mandibular condyle are anisotropic

DEFF Research Database (Denmark)

Giesen, EB; Ding, Ming; Dalstra, M

2001-01-01

The objective of the present study was (1) to test the hypothesis that the elastic and failure properties of the cancellous bone of the mandibular condyle depend on the loading direction, and (2) to relate these properties to bone density parameters. Uniaxial compression tests were performed......). Archimedes' principle was applied to determine bone density parameters. The cancellous bone was in axial loading 3.4 times stiffer and 2.8 times stronger upon failure than in transverse loading. High coefficients of correlation were found among the various mechanical properties and between them...

Optimised robot-based system for the exploration of elastic joint properties.

Science.gov (United States)

Frey, M; Burgkart, R; Regenfelder, F; Riener, R

2004-09-01

Numerous publications provide measured biomechanical data relating to synovial joints. However, in general, they do not reflect the non-linear elastic joint properties in detail or do not consider all degrees of freedom (DOF), or the quantity of data is sparse. To perform more comprehensive, extended measurements of elastic joint properties, an optimised robot-based approach was developed. The basis was an industrial, high-precision robot that was capable of applying loads to the joint and measuring the joint displacement in 6 DOF. The system was equipped with novel, custom-made control hardware. In contrast to the commonly used sampling rates that are below 100 Hz, a rate of 4 kHz was realised for each DOF. This made it possible to implement advanced, highly dynamic, quasi-continuous closed-loop controllers. Thus oscillations of the robot were avoided, and measurements were speeded up. The stiffness of the entire system was greater than 44 kNm(-1) and 22 Nm deg(-1), and the maximum difference between two successive measurements was less than 0.5 deg. A sophisticated CT-based referencing routine facilitated the matching of kinematic data with the individual anatomy of the tested joint. The detailed detection of the elastic varus-valgus properties of a human knee joint is described, and the need for high spatial resolution is demonstrated.

Split-Ring Springback Simulations with the Non-associated Flow Rule and Evolutionary Elastic-Plasticity Models

Science.gov (United States)

Lee, K. J.; Choi, Y.; Choi, H. J.; Lee, J. Y.; Lee, M. G.

2018-06-01

Finite element simulations and experiments for the split-ring test were conducted to investigate the effect of anisotropic constitutive models on the predictive capability of sheet springback. As an alternative to the commonly employed associated flow rule, a non-associated flow rule for Hill1948 yield function was implemented in the simulations. Moreover, the evolution of anisotropy with plastic deformation was efficiently modeled by identifying equivalent plastic strain-dependent anisotropic coefficients. Comparative study with different yield surfaces and elasticity models showed that the split-ring springback could be best predicted when the anisotropy in both the R value and yield stress, their evolution and variable apparent elastic modulus were taken into account in the simulations. Detailed analyses based on deformation paths superimposed on the anisotropic yield functions predicted by different constitutive models were provided to understand the complex springback response in the split-ring test.

Ferroelastic domains: mesoscopic mediators of elastic and diffusion properties of solids

International Nuclear Information System (INIS)

Redfern, S.A.T.

2002-01-01

Full text: Microstructure is well known to play a major role in determining the mechanical properties of a material such as its hardness, slip, ductility, and creep. Another important question is how microstructure affects the chemical reactivity of a material. Dislocations and vacancies greatly enhance transport of reactants, which increases reactivity. Fast diffusion is also believed to occur along grain boundaries, providing means for mass transport over distances of cm to metres. Here, however, I focus on the influence of (intra-grain) domain microstructures associated with structural phase transitions, in particular ferroelastic phase transitions and their associated domain walls. It has been found that these can cause a large increase in chemical reactivity. Examples include those found in measurement and computational simulation of transport and diffusion of Na and Li in perovskite structures and in quartz. It has been demonstrated that ferroelastic microstructure can exert a profound control on transport, providing a possible route to the synthesis and fabrication of novel devices. The bulk elastic properties of crystals are commonly affected by phase transitions occurring within them. For ferroelastic transitions Landau theory provides a good model of the critical behaviour of the elastic constants, with mean field behaviour being followed closely. But the influence of the microstructure that results from these transitions on the apparent elastic behaviour of materials can be even greater. The behaviour of the elastic storage modulus and elastic loss modulus of a strontium-calcium titanate perovskite as a function of temperature through the cubic-tetragonal phase transition. The large elastic loss ('tan delta') arises from the movement of domain walls under applied stress in the three-point bend geometry of the experiment, and their interaction with pinning centres and grain boundaries. The dynamics of domain movement and relaxation behave according to a

Exact analysis of the spectral properties of the anisotropic two-bosons Rabi model

OpenAIRE

Cui, Shuai; Cao, Jun-Peng; Fan, Heng; Amico, Luigi

2015-01-01

We introduce the anisotropic two-photon Rabi model in which the rotating and counter rotating terms enters along with two different coupling constants. Eigenvalues and eigenvectors are studied with exact means. We employ a variation of the Braak method based on Bogolubov rotation of the underlying $su(1,1)$ Lie algebra. Accordingly, the spectrum is provided by the analytical properties of a suitable meromorphic function. Our formalism applies to the two-modes Rabi model as well, sharing the s...

Erratum to: Elastic and piezoelectric properties, sound velocity and ...

Indian Academy of Sciences (India)

Erratum to: Elastic and piezoelectric properties, sound velocity and Debye temperature of (B3) BBi compound under pressure. S DAOUD1,∗, N BIOUD2 and N LEBGAA2. 1Faculté des Sciences et de la Technologie, Université de Bordj Bou Arreridj, 34000, Algeria. 2Laboratoire d'Optoélectronique & Composants, Université ...

Structural, elastic, electronic and optical properties of bi-alkali ...

Indian Academy of Sciences (India)

The structural parameters, elastic constants, electronic and optical properties of the bi-alkali ... and efficient method for the calculation of the ground-state ... Figure 2. Optimization curve (E–V) of the bi-alkali antimonides: (a) Na2KSb, (b) Na2RbSb, (c) Na2CsSb, .... ical shape of the charge distributions in the contour plots.

Optimal Full Waveform Inversion Strategy in Azimuthally Rotated Elastic Orthorhombic Media

KAUST Repository

Oh, Juwon; Alkhalifah, Tariq Ali

2017-01-01

The elastic orthorhombic assumption is one of the most practical Earth models that takes into account the horizontal anisotropic layering and vertical fracture network. In this model, the rotation angle of the vertical planes of symmetry is a

Theoretical study of the elastic properties of titanium nitride

Institute of Scientific and Technical Information of China (English)

Jingdong CHEN; Yinglu ZHAO; Benhai YU; Chunlei WANG; Deheng SHI

2009-01-01

The equilibrium lattice parameter, relative volume V/Vo, elastic constants Cij, and bulk modulus of titanium nitride are successfully obtained using the ab initio plane-wave pseudopotential (PW-PP) method within the framework of density functional theory. The quasi-harmonic Debye model, using a set of total energy vs molar volume obtained with the PW-PP method, is applied to the study of the elastic properties and vibrational effects. We analyze the relationship between the bulk modulus and temperature up to 2000 K and obtain the relationship between bulk modulus B and pressure at different temperatures. It is found that the bulk modulus B increases monotonously with increasing pressure and decreases with increasing temperature. Moreover, the Debye temperature is determined from the non-equilibrium Gibbs func-tions.

Anisotropic interpolation theorems of Musielak-Orlicz type

Directory of Open Access Journals (Sweden)

Jinxia Li

2016-10-01

Full Text Available Abstract Anisotropy is a common attribute of Nature, which shows different characterizations in different directions of all or part of the physical or chemical properties of an object. The anisotropic property, in mathematics, can be expressed by a fairly general discrete group of dilations { A k : k ∈ Z } $\\{A^{k}: k\\in\\mathbb{Z}\\}$ , where A is a real n × n $n\\times n$ matrix with all its eigenvalues λ satisfy | λ | > 1 $|\\lambda|>1$ . Let φ : R n × [ 0 , ∞ → [ 0 , ∞ $\\varphi: \\mathbb{R}^{n}\\times[0, \\infty\\to[0,\\infty$ be an anisotropic Musielak-Orlicz function such that φ ( x , ⋅ $\\varphi(x,\\cdot$ is an Orlicz function and φ ( ⋅ , t $\\varphi(\\cdot,t$ is a Muckenhoupt A ∞ ( A $\\mathbb {A}_{\\infty}(A$ weight. The aim of this article is to obtain two anisotropic interpolation theorems of Musielak-Orlicz type, which are weighted anisotropic extension of Marcinkiewicz interpolation theorems. The above results are new even for the isotropic weighted settings.

Magnetic and elastic anisotropy in magnetorheological elastomers using nickel-based nanoparticles and nanochains

Energy Technology Data Exchange (ETDEWEB)

Landa, Romina A.; Soledad Antonel, Paula; Ruiz, Mariano M.; Negri, R. Martín, E-mail: rmn@qi.fcen.uba.ar [Departamento de Química Inorgánica, Analítica y Química Física, Facultad de Ciencias Exactas y Naturales, Instituto de Química Física de Materiales, Ambiente y Energía (INQUIMAE), Universidad de Buenos Aires, Ciudad Universitaria, Pabellón II, C1428EGA Buenos Aires (Argentina); Perez, Oscar E. [Departamento de Industrias, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (Argentina); Butera, Alejandro [Centro Atómico Bariloche (Comisión Nacional de Energía Atómica. Argentina) and Instituto Balseiro, Universidad Nacional de Cuyo, Mendoza (Argentina); Jorge, Guillermo [Instituto de Ciencias, Universidad Nacional de General Sarmiento, Buenos Aires (Argentina); Oliveira, Cristiano L. P. [Grupo de Fluidos Complexos, Instituto de Física, Universidade de São Paulo, São Paulo (Brazil)

2013-12-07

possible to obtain magnetorheological composites with anisotropic properties, with larger anisotropy when using nanochains. For instance, the magnetic remanence, the FMR field, and the elastic response to compression are higher when measured parallel to the needles (about 30% with nanochains as fillers). Analogously, the elastic response is also anisotropic, with larger anisotropy when using nanochains as fillers. Therefore, all experiments performed confirm the high potential of nickel nanochains to induce anisotropic effects in magnetorheological materials.

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

Science.gov (United States)

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.

High pressure elastic properties of minerals from ab initio simulations: The case of pyrope, grossular and andradite silicate garnets

International Nuclear Information System (INIS)

Erba, A.; Mahmoud, A.; Dovesi, R.; Belmonte, D.

2014-01-01

A computational strategy is devised for the accurate ab initio simulation of elastic properties of crystalline materials under pressure. The proposed scheme, based on the evaluation of the analytical stress tensor and on the automated computation of pressure-dependent elastic stiffness constants, is implemented in the CRYSTAL solid state quantum-chemical program. Elastic constants and related properties (bulk, shear and Young moduli, directional seismic wave velocities, elastic anisotropy index, Poisson's ratio, etc.) can be computed for crystals of any space group of symmetry. We apply such a technique to the study of high-pressure elastic properties of three silicate garnet end-members (namely, pyrope, grossular, and andradite) which are of great geophysical interest, being among the most important rock-forming minerals. The reliability of this theoretical approach is proved by comparing with available experimental measurements. The description of high-pressure properties provided by several equations of state is also critically discussed

Elastic properties of cubic perovskite BaRuO{sub 3} from first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Han Deming; Liu Xiaojuan; Lv Shuhui; Li Hongping [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Meng Jian, E-mail: jmeng@ciac.jl.c [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

2010-08-01

We present first-principles investigations on the structural and elastic properties of the cubic perovskite BaRuO{sub 3} using density-functional theory within both local density approximation (LDA) and generalized gradient approximation (GGA). Basic physical properties, such as lattice constant, shear modulus, elastic constants (C{sub ij}) are calculated. The calculated energy band structures show that the cubic perovskite BaRuO{sub 3} is metallic. We have also predicted the Young's modulus (Y), Poisson's ratio ({upsilon}), and Anisotropy factor (A).

Anisotropic modulation of magnetic properties and the memory effect in a wide-band (011)-Pr0.7Sr0.3MnO3/PMN-PT heterostructure

KAUST Repository

Zhao, Ying-Ying

2015-04-24

Memory effect of electric-field control on magnetic behavior in magnetoelectric composite heterostructures has been a topic of interest for a long time. Although the piezostrain and its transfer across the interface of ferroelectric/ferromagnetic films are known to be important in realizing magnetoelectric coupling, the underlying mechanism for nonvolatile modulation of magnetic behaviors remains a challenge. Here, we report on the electric-field control of magnetic properties in wide-band (011)-Pr0.7Sr0.3MnO3/0.7Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 heterostructures. By introducing an electric-field-induced in-plane anisotropic strain field during the cooling process from room temperature, we observe an in-plane anisotropic, nonvolatile modulation of magnetic properties in a wide-band Pr0.7Sr0.3MnO3 film at low temperatures. We attribute this anisotropic memory effect to the preferential seeding and growth of ferromagnetic (FM) domains under the anisotropic strain field. In addition, we find that the anisotropic, nonvolatile modulation of magnetic properties gradually diminishes as the temperature approaches FM transition, indicating that the nonvolatile memory effect is temperature dependent. By taking into account the competition between thermal energy and the potential barrier of the metastable magnetic state induced by the anisotropic strain field, this distinct memory effect is well explained, which provides a promising approach for designing novel electric-writing magnetic memories.

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

KAUST Repository

Gao, Kai; Chung, Eric T.; Gibson, Richard L.; Fu, Shubin; Efendiev, Yalchin R.

2015-01-01

The development of reliable methods for upscaling fine-scale models of elastic media has long been an important topic for rock physics and applied seismology. Several effective medium theories have been developed to provide elastic parameters

Computation of temperature-dependent legendre moments of a double-differential elastic cross section

International Nuclear Information System (INIS)

Arbanas, G.; Dunn, M.E.; Larson, N.M.; Leal, L.C.; Williams, M.L.; Becker, B.; Dagan, R.

2011-01-01

A general expression for temperature-dependent Legendre moments of a double-differential elastic scattering cross section was derived by Ouisloumen and Sanchez [Nucl. Sci. Eng. 107, 189-200 (1991)]. Attempts to compute this expression are hindered by the three-fold nested integral, limiting their practical application to just the zeroth Legendre moment of an isotropic scattering. It is shown that the two innermost integrals could be evaluated analytically to all orders of Legendre moments, and for anisotropic scattering, by a recursive application of the integration by parts method. For this method to work, the anisotropic angular distribution in the center of mass is expressed as an expansion in Legendre polynomials. The first several Legendre moments of elastic scattering of neutrons on 238 U are computed at T=1000 K at incoming energy 6.5 eV for isotropic scattering in the center of mass frame. Legendre moments of the anisotropic angular distribution given via Blatt-Biedenharn coefficients are computed at 1 keV. The results are in agreement with those computed by the Monte Carlo method. (author)

Rational design of soft mechanical metamaterials : Independent tailoring of elastic properties with randomness

NARCIS (Netherlands)

Mirzaali Mazandarani, M.J.; Hedayati, R.; Vena, P; Vergani, L.; Strano, M.; Zadpoor, A.A.

2017-01-01

The elastic properties of mechanical metamaterials are direct functions of their topological designs. Rational design approaches based on computational models could, therefore, be used to devise topological designs that result in the desired properties. It is of particular importance to

Thermodynamics and elastic properties of Ir from first-principle calculations

International Nuclear Information System (INIS)

Li Qiang; Huang Duohui; Cao Qilong; Wang Fanhou

2013-01-01

Within the framework of the quasiharmonic approximation, the thermodynamics and elastic properties, including phonon dispersion curves, equation of state, linear thermal expansion coefficient and temperature-dependent entropy, enthalpy, heat capacity, elastic constants, bulk modulus, shear modulus, Young's modulus of Ir have been studied using first-principles projector-augmented wave method. The results revealed that the predicted phonon dispersion curves of Ir are in agreement with the experimental measurements by neutron diffractions. Considering the thermal electronic contribution to Helmholtz free energy, the calculated entropy, enthalpy, heat capacity and linear thermal expansion co- efficient from the first-principle are consistent well with the experimental data. At 2600 K, the electronic heat capacity accounts for 17% of the total heat capacity at constant pressure, thus the thermal electronic contribution to Helmholtz free energy is very important. The predicted elastic constants, bulk modulus, shear modulus and Young's modulus at room temperature are also in agreement with the available measurements and increase with the increasing temperature. (authors)

Pressure effect on structural, elastic, and thermodynamic properties of tetragonal B4C4

Directory of Open Access Journals (Sweden)

Baobing Zheng

2015-03-01

Full Text Available The compressibility, elastic anisotropy, and thermodynamic properties of the recently proposed tetragonal B4C4 (t-B4C4 are investigated under high temperature and high pressure by using of first-principles calculations method. The elastic constants, bulk modulus, shear modulus, Young’s modulus, Vickers hardness, Pugh’s modulus ratio, and Poisson’s ratio for t-B4C4 under various pressures are systematically explored, the obtained results indicate that t-B4C4 is a stiffer material. The elastic anisotropies of t-B4C4 are discussed in detail under pressure from 0 GPa to 100 GPa. The thermodynamic properties of t-B4C4, such as Debye temperature, heat capacity, and thermal expansion coefficient are investigated by the quasi-harmonic Debye model.

The role of an effective isotropic tissue modulus in the elastic properties of cancellous bone

NARCIS (Netherlands)

Kabel, J.; Rietbergen, van B.; Dalstra, M.; Odgaard, A.; Huiskes, H.W.J.

1999-01-01

Conceptually, the elastic characteristics of cancellous bone could be predicted directly from the trabecular morphology-or architecture-and by the elastic properties of the tissue itself. Although hardly any experimental evidence exists, it is often implicitly assumed that tissue anisotropy has a

High pressure elastic properties of minerals from ab initio simulations: The case of pyrope, grossular and andradite silicate garnets

Energy Technology Data Exchange (ETDEWEB)

Erba, A., E-mail: alessandro.erba@unito.it; Mahmoud, A.; Dovesi, R. [Dipartimento di Chimica and Centre of Excellence NIS (Nanostructured Interfaces and Surfaces), Università di Torino, via Giuria 5, IT-10125 Torino (Italy); Belmonte, D. [DISTAV, Università di Genova, Corso Europa 26, 16132 Genoa (Italy)

2014-03-28

A computational strategy is devised for the accurate ab initio simulation of elastic properties of crystalline materials under pressure. The proposed scheme, based on the evaluation of the analytical stress tensor and on the automated computation of pressure-dependent elastic stiffness constants, is implemented in the CRYSTAL solid state quantum-chemical program. Elastic constants and related properties (bulk, shear and Young moduli, directional seismic wave velocities, elastic anisotropy index, Poisson's ratio, etc.) can be computed for crystals of any space group of symmetry. We apply such a technique to the study of high-pressure elastic properties of three silicate garnet end-members (namely, pyrope, grossular, and andradite) which are of great geophysical interest, being among the most important rock-forming minerals. The reliability of this theoretical approach is proved by comparing with available experimental measurements. The description of high-pressure properties provided by several equations of state is also critically discussed.

Effect of strain path change on limits to ductility of anisotropic metal sheets

DEFF Research Database (Denmark)

Kuroda, M.; Tvergaard, Viggo

2000-01-01

of the anisotropic plasticity models, and it is shown that elastic straining plays a large role, as the stresses quickly move from one point of the yield surface to another. When the load is removed between steps, the stress point moves in a different manner, which results in quite different flow localization......Localized necking in thin metal sheets is analyzed by using the M-K-model approach, and the effect of a number of different non-proportional strain paths prior to the occurrence flow localization are considered. The analyses account for plastic anisotropy, using four different anisotropic...

Analysis and interpretation of diffraction data from complex, anisotropic materials

Science.gov (United States)

Tutuncu, Goknur

Most materials are elastically anisotropic and exhibit additional anisotropy beyond elastic deformation. For instance, in ferroelectric materials the main inelastic deformation mode is via domains, which are highly anisotropic crystallographic features. To quantify this anisotropy of ferroelectrics, advanced X-ray and neutron diffraction methods were employed. Extensive sets of data were collected from tetragonal BaTiO3, PZT and other ferroelectric ceramics. Data analysis was challenging due to the complex constitutive behavior of these materials. To quantify the elastic strain and texture evolution in ferroelectrics under loading, a number of data analysis techniques such as the single peak and Rietveld methods were used and their advantages and disadvantages compared. It was observed that the single peak analysis fails at low peak intensities especially after domain switching while the Rietveld method does not account for lattice strain anisotropy although it overcomes the low intensity problem via whole pattern analysis. To better account for strain anisotropy the constant stress (Reuss) approximation was employed within the Rietveld method and new formulations to estimate lattice strain were proposed. Along the way, new approaches for handling highly anisotropic lattice strain data were also developed and applied. All of the ceramics studied exhibited significant changes in their crystallographic texture after loading indicating non-180° domain switching. For a full interpretation of domain switching the spherical harmonics method was employed in Rietveld. A procedure for simultaneous refinement of multiple data sets was established for a complete texture analysis. To further interpret diffraction data, a solid mechanics model based on the self-consistent approach was used in calculating lattice strain and texture evolution during the loading of a polycrystalline ferroelectric. The model estimates both the macroscopic average response of a specimen and its hkl

Electronic, elastic, acoustic and optical properties of cubic TiO2: A DFT approach

International Nuclear Information System (INIS)

Mahmood, Tariq; Cao, Chuanbao; Tahir, Muhammad; Idrees, Faryal; Ahmed, Maqsood; Tanveer, M.; Aslam, Imran; Usman, Zahid; Ali, Zulfiqar; Hussain, Sajad

2013-01-01

The electronic, elastic, acoustic and optical properties of cubic phases TiO 2 fluorite and pyrite are investigated using the first principles calculations. We have employed five different exchange–correlation functions within the local density and generalized gradient approximations using the ultrasoft plane wave pseudopotential method. The calculated band structures of cubic-TiO 2 elucidate that the TiO 2 fluorite and pyrite are direct and indirect semiconductors in contrast to the previous findings. From our studied properties such as bulk and shear moduli, elastic constants C 44 and Debye temperature for TiO 2 fluorite and pyrite, we infer that both the cubic phases are not superhard materials and the pyrite phase is harder than fluorite. The longitudinal and transversal acoustic wave speeds for both phases in the directions [100], [110] and [111] are determined using the pre-calculated elastic constants. In addition, we also calculate the optical properties such as dielectric function, absorption spectrum, refractive index and energy loss function using the pre-optimized structure. On the observation of optical properties TiO 2 fluorite phase turn out to be more photocatalytic than pyrite

Ground state properties of the bond alternating spin-1/2 anisotropic Heisenberg chain

Directory of Open Access Journals (Sweden)

S. Paul

2017-06-01

Full Text Available Ground state properties, dispersion relations and scaling behaviour of spin gap of a bond alternating spin-1/2 anisotropic Heisenberg chain have been studied where the exchange interactions on alternate bonds are ferromagnetic (FM and antiferromagnetic (AFM in two separate cases. The resulting models separately represent nearest neighbour (NN AFM-AFM and AFM-FM bond alternating chains. Ground state energy has been estimated analytically by using both bond operator and Jordan-Wigner representations and numerically by using exact diagonalization. Dispersion relations, spin gap and several ground state orders have been obtained. Dimer order and string orders are found to coexist in the ground state. Spin gap is found to develop as soon as the non-uniformity in alternating bond strength is introduced in the AFM-AFM chain which further remains non-zero for the AFM-FM chain. This spin gap along with the string orders attribute to the Haldane phase. The Haldane phase is found to exist in most of the anisotropic region similar to the isotropic point.

First-principles study of elastic and thermodynamic properties of orthorhombic OsB4 under high pressure

Science.gov (United States)

Yan, Hai-Yan; Zhang, Mei-Guang; Huang, Duo-Hui; Wei, Qun

2013-04-01

The first-principles study on the elastic properties, elastic anisotropy and thermodynamic properties of the orthorhombic OsB4 is reported using density functional theory method with the ultrasoft pseudopotential scheme in the frame of the generalized gradient approximation. The calculated equilibrium parameters are in good agreement with the available theoretical data. A complete elastic tensor and crystal anisotropies of the ultra-incompressible OsB4 are determined in the pressure range of 0-50 GPa. By the elastic stability criteria, it is predicted that the orthorhombic OsB4 is stable below 50 GPa. By using the quasi-harmonic Debye model, the heat capacity, the coefficient of thermal expansion, and the Grüneisen parameter of OsB4 are also successfully obtained in the present work.

Structural, vibrational, elastic and topological properties of PaN under pressure

DEFF Research Database (Denmark)

Modak, P.; K. Verma, Ashok; Svane, A.

2013-01-01

Electronic, structural, vibrational and elastic properties of PaN have been studied both at ambient and high pressures, using first principles methods with several commonly used parameterizations of the exchange-correlation energy. The generalized gradient approximation (GGA) reproduces the groun...

Predicting the elastic properties of double-walled carbon nanotubes by molecular dynamics simulation

International Nuclear Information System (INIS)

Zhang Chenli; Shen Huishen

2008-01-01

Molecular dynamics simulation is performed on a double-walled carbon nanotube (DWCNT) to predict its elastic properties based on a double-walled shear deformable shell model. By direct buckling measurement, we present here a method for uniquely determining the effective wall thickness for the shell model. Accounting for two different kinds of DWCNTs by adding an inner or outer tube to a fiducial tube, the mechanical properties of DWCNTs are carefully investigated as compared with those of the fiducial tube. It is found that the predicted values of Young's and shear moduli depend strongly on the construction and helicity of DWCNTs, while the dependence on nanotube length is relatively small. The results also confirm that the temperature variation has a significant effect on the elastic properties of DWCNTs

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

Energy Technology Data Exchange (ETDEWEB)

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

2010-12-15

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

On the steady-state structure of shock waves in elastic media and dielectrics

International Nuclear Information System (INIS)

Kulikovskii, A. G.; Chugainova, A. P.

2010-01-01

A simplified system of equations describing small-amplitude nonlinear quasi-transverse waves in an elastic weakly anisotropic medium with complicated dissipation and dispersion is considered. A simplified system of equations derived for describing the propagation and evolution of one-dimensional weakly nonlinear electromagnetic waves in a weakly anisotropic dielectric is found to be of the same type as the system of equations for quasi-transverse waves in an elastic medium. The steady-state structure of small-amplitude quasi-transverse discontinuities and a large number of admissible discontinuity types is studied using this system of equations. Viscous dissipation is traditionally assumed to be described in terms of the next differentiation order as compared to those constituting the hyperbolic system describing long waves, while the terms responsible for dispersion have an even higher differentiation order.

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

Science.gov (United States)

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.

Theory of reversal nonisothermal elastic-plastic deformation

International Nuclear Information System (INIS)

Shorr, B.F.

1979-01-01

Considered is approximated theory of nonisothermal elastic-plastic deformation at arbitrary laws of loading, permitting to describe nonisothermal isotropic and anisotropic strengthening of the material, Bauschinger effect and different tempo of plastic deformation development over different directions of loading depending on the deformation prehistory. The comparison of the theory with the experimental data showed good coincidence and sufficient simplicity permits to use it in technical calcualtions

Anisotropic silk fibroin/gelatin scaffolds from unidirectional freezing

Energy Technology Data Exchange (ETDEWEB)

Asuncion, Maria Christine Tankeh, E-mail: christine.asuncion@u.nus.edu [National University of Singapore, Department of Biomedical Engineering (Singapore); Goh, James Cho-Hong [National University of Singapore, Department of Biomedical Engineering (Singapore); National University of Singapore, Department of Orthopedic Surgery (Singapore); Toh, Siew-Lok [National University of Singapore, Department of Biomedical Engineering (Singapore); National University of Singapore, Department of Mechanical Engineering (Singapore)

2016-10-01

Recent studies have underlined the importance of matching scaffold properties to the biological milieu. Tissue, and thus scaffold, anisotropy is one such property that is important yet sometimes overlooked. Methods that have been used to achieve anisotropic scaffolds present challenges such as complicated fabrication steps, harsh processing conditions and toxic chemicals involved. In this study, unidirectional freezing was employed to fabricate anisotropic silk fibroin/gelatin scaffolds in a simple and mild manner. Morphological, mechanical, chemical and cellular compatibility properties were investigated, as well as the effect of the addition of gelatin to certain properties of the scaffold. It was shown that scaffold properties were suitable for cell proliferation and that mesenchymal stem cells were able to align themselves along the directed fibers. The fabricated scaffolds present a platform that can be used for anisotropic tissue engineering applications such as cardiac patches. - Highlights: • Silk/gelatin scaffolds with unidirectional alignment were fabricated using a simple and scalable process • Presence of gelatin in silk resulted to lesser shrinkage, better water retention and improved cell proliferation. • Mesenchymal stem cells were shown to align themselves according to the fiber alignment.

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

KAUST Repository

Goriely, A.

2013-03-06

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

Obtuse triangle suppression in anisotropic meshes

KAUST Repository

Sun, Feng; Choi, Yi King; Wang, Wen Ping; Yan, Dongming; Liu, Yang; Lé vy, Bruno L.

2011-01-01

Anisotropic triangle meshes are used for efficient approximation of surfaces and flow data in finite element analysis, and in these applications it is desirable to have as few obtuse triangles as possible to reduce the discretization error. We present a variational approach to suppressing obtuse triangles in anisotropic meshes. Specifically, we introduce a hexagonal Minkowski metric, which is sensitive to triangle orientation, to give a new formulation of the centroidal Voronoi tessellation (CVT) method. Furthermore, we prove several relevant properties of the CVT method with the newly introduced metric. Experiments show that our algorithm produces anisotropic meshes with much fewer obtuse triangles than using existing methods while maintaining mesh anisotropy. © 2011 Elsevier B.V. All rights reserved.

Obtuse triangle suppression in anisotropic meshes

KAUST Repository

Sun, Feng

2011-12-01

Anisotropic triangle meshes are used for efficient approximation of surfaces and flow data in finite element analysis, and in these applications it is desirable to have as few obtuse triangles as possible to reduce the discretization error. We present a variational approach to suppressing obtuse triangles in anisotropic meshes. Specifically, we introduce a hexagonal Minkowski metric, which is sensitive to triangle orientation, to give a new formulation of the centroidal Voronoi tessellation (CVT) method. Furthermore, we prove several relevant properties of the CVT method with the newly introduced metric. Experiments show that our algorithm produces anisotropic meshes with much fewer obtuse triangles than using existing methods while maintaining mesh anisotropy. © 2011 Elsevier B.V. All rights reserved.

Linear analysis using secants for materials with temperature dependent nonlinear elastic modulus and thermal expansion properties

Science.gov (United States)

Pepi, John W.

2017-08-01

Thermally induced stress is readily calculated for linear elastic material properties using Hooke's law in which, for situations where expansion is constrained, stress is proportional to the product of the material elastic modulus and its thermal strain. When material behavior is nonlinear, one needs to make use of nonlinear theory. However, we can avoid that complexity in some situations. For situations in which both elastic modulus and coefficient of thermal expansion vary with temperature, solutions can be formulated using secant properties. A theoretical approach is thus presented to calculate stresses for nonlinear, neo-Hookean, materials. This is important for high acuity optical systems undergoing large temperature extremes.

Phase stability and elastic properties of Cr-V alloys

Science.gov (United States)

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

2013-02-01

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

Phase stability and elastic properties of Cr-V alloys

Energy Technology Data Exchange (ETDEWEB)

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

2013-01-23

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

Nanomechanical properties of thick porous silicon layers grown on p- and p+-type bulk crystalline Si

International Nuclear Information System (INIS)

Charitidis, C.A.; Skarmoutsou, A.; Nassiopoulou, A.G.; Dragoneas, A.

2011-01-01

Highlights: → The nanomechanical properties of bulk crystalline Si. → The nanomechanical properties of porous Si. → The elastic-plastic deformation of porous Si compared to bulk crystalline quantified by nanoindentation data analysis. - Abstract: The nanomechanical properties and the nanoscale deformation of thick porous Si (PSi) layers of two different morphologies, grown electrochemically on p-type and p+-type Si wafers were investigated by the depth-sensing nanoindentation technique over a small range of loads using a Berkovich indenter and were compared with those of bulk crystalline Si. The microstructure of the thick PSi layers was characterized by field emission scanning electron microscopy. PSi layers on p+-type Si show an anisotropic mesoporous structure with straight vertical pores of diameter in the range of 30-50 nm, while those on p-type Si show a sponge like mesoporous structure. The effect of the microstructure on the mechanical properties of the layers is discussed. It is shown that the hardness and Young's modulus of the PSi layers exhibit a strong dependence on their microstructure. In particular, PSi layers with the anisotropic straight vertical pores show higher hardness and elastic modulus values than sponge-like layers. However, sponge-like PSi layers reveal less plastic deformation and higher wear resistance compared with layers with straight vertical pores.

Structure and properties of joints of two-ply steel using ''elastic'' explosives

International Nuclear Information System (INIS)

Gel'man, A.S.; Savel'ev, S.A.; Kulakevich, Ya.S.; Sharypov, N.A.; Drogovejko, I.Z.; Domolego, I.E.

1980-01-01

Some experimental data on structure and properties of compounds during cladding of sheets made of St3 with sheets of nichrome and steel 12Kh18N10T with the use of ''elastic'' explosives are presented. It is shown that the use of ''elastic'' explosives permits to decrease r parameter sufficiently, (where r - is the ratio of explosive mass to the mass of throwen phate) that reduces considerably the specific consumption explosives in comparison with the consumption conventional mixture explosives. Peculiarities of tested ''elastic'' explosives make their application perspective in two cases - at cladding of complex curved surfaces (drums, tube blanks etc.), as sell as at applications of burst chambers, where explosive mass limits dimensions of cladding blanks and details [ru

Elasticity in Elastics-An in-vitro study.

Science.gov (United States)

Kamisetty, Supradeep Kumar; Nimagadda, Chakrapani; Begam, Madhoom Ponnachi; Nalamotu, Raghuveer; Srivastav, Trilok; Gs, Shwetha

2014-04-01

Orthodontic tooth movement results from application of forces to teeth. Elastics in orthodontics have been used both intra-orally and extra- orally to a great effect. Their use, combined with good patient co-operation provides the clinician with the ability to correct both anteroposterior and vertical discrepancies. Force decay over a period of time is a major problem in the clinical usage of latex elastics and synthetic elastomers. This loss of force makes it difficult for the clinician to determine the actual force transmitted to the dentition. It's the intent of the clinician to maintain optimal force values over desired period of time. The majority of the orthodontic elastics on the market are latex elastics. Since the early 1990s, synthetic products have been offered in the market for latex-sensitive patients and are sold as nonlatex elastics. There is limited information on the risk that latex elastics may pose to patients. Some have estimated that 0.12-6% of the general population and 6.2% of dental professionals have hypersensitivity to latex protein. There are some reported cases of adverse reactions to latex in the orthodontic population but these are very limited to date. Although the risk is not yet clear, it would still be inadvisable to prescribe latex elastics to a patient with a known latex allergy. To compare the in-vitro performance of latex and non latex elastics. Samples of 0.25 inch, latex and non latex elastics (light, medium, heavy elastics) were obtained from three manufacturers (Forestadent, GAC, Glenroe) and a sample size of ten elastics per group was tested. The properties tested included cross sectional area, internal diameter, initial force generated by the elastics, breaking force and the force relaxation for the different types of elastics. Force relaxation testing involved stretching the elastics to three times marketed internal diameter (19.05 mm) and measuring force level at intervals over a period of 48 hours. The data were

Optical properties of anisotropic 3D nanoparticles arrays

Science.gov (United States)

Santiago, E. Y.; Esquivel-Sirvent, R.

2017-07-01

The optical properties of 3D periodic arrays of spheroidal Au nanoparticles are calculated using a Bruggeman effective medium approximation. The optical response of the supra-crystal depends on the volume fraction of the nanoparticles and their aspect or size ratio (major/minor axis). All the nanoparticles have the same orientation, and this defines an anisotropic dielectric function of the crystal. As a function of the filling fraction, while keeping the size ratio fixed, the maximum in the extinction spectra along the major and minor axes does not show a significant change. However, for a fixed filling fraction, varying the aspect ratio of the particles induces a shift of several hundred of nanometers in the maximum of the extinction spectra along the major axis and almost no changes along the minor axis. Depending on the aspect ratio and the filling fraction, we show that the supra-crystal has three regimes with different values of an effective plasma frequency. Contribution to the Focus Issue Self-assemblies of Inorganic and Organic Nanomaterials edited by Marie-Paule Pileni.

Magnetic and elastic properties of the antiferromagnet uranium mononitride

International Nuclear Information System (INIS)

Van Doorn, C.F.

1976-10-01

The magnetic and elastic properties of antiferromagnetic uranium mononitride single crystals are studied in the thesis from the measurements of the temperature dependences of the magnetic susceptibility, electrical resistivity and elastic constants. The elastic constants C 11 , C 12 and C 44 were determined in the temperature interval 4 to 300 K by ultrasonic measurements of the five possible wave velocities in the [100] and [110] directions. A test for internal consistency was also made. A dip of about 9 percent occurs in C 11 at a temperature of 5 to 6 K lower than the Neel temperature T(N) (equals about 53 K). Starting at T(N), a renormalization in C 44 is proportional to the square of the sublattice magnetization also occurs. Both these results agree with model calculations which include spin-phonon interactions. The investigation of this anomaly was extended by measuring the electrical resistivity of a sample cut from the same crystal as that on which the elasticity was measured. No anomalous behavior was observed at the temperature where C 11 displays its anomaly. However, a discontinuity in the temperature derivative of the resistance was found at T(N). The possible effect of a magnetic field on the resistivity, as well as on the elasticity, was investigated without any measurable effect. The magnetic susceptibility was measured with a Foner magnetometer between 4 and 1 000 K. It was found that above the Neel temperature the paramagnetic susceptibility followed a revised Curie-Weiss law. In an attempt to ascertain the ionic state of the 5f-uranium ion in UN, use was made of the experimentally determined Weiss constant, spin disorder resistivity and Knight shift. A calculation was made that gave a good representation of the ratio of the experimental susceptibilities along the [100] and [110] directions in the ordered region [af

The Effect of Knitting Parameter and Finishing on Elastic Property of PET/PBT Warp Knitted Fabric

Directory of Open Access Journals (Sweden)

Chen Qing

2017-12-01

Full Text Available This study investigated the elastic elongation and elastic recovery of the elastic warp knittedfabric made of PET( polyethylene terephthalate and PBT(polybutylene terephthalate filament. Using 50/24F PET and 50D/24F PBT in two threadingbars, the tricot, locknit and satin warp knitted fabrics were produced on the E28 tricot warpknitting machine. The knitting parameters influencing the elastic elongation under 100N wereanalyzed in terms of fabric structure, yarn run-in speed and drawing density set on machine.Besides, dyeing temperature and heat setting temperature/time were also examined in order toretain proper elastic elongation and elastic recovery. The relationship between elastic elongationand knitting parameter and finishing parameter were analyzed. Finally, the elastic recovery ofPET/PBT warp knitted fabric was examined to demonstrate the elastic property of final finishedfabric. This study could help us to further exploit the use of PET/PBT warp knitted fabric in thedevelopment of elastic garment in future.

Generation of discrete inelastic and elastic transfer matrix

International Nuclear Information System (INIS)

Garcia, R.D.M.; Santina, M.D.

1985-01-01

A technique developed for the calculation of the isotropic and linearly anisotropic components components of elastic and discrete inelastic transfer matrices is presented in this work. The implementation of the technique is discussed in detail and numerical results obtained for some examples are compared with results reported in the literature or generated with the use of several processing codes. (author) [pt

Elastic anisotropy of polycrystalline Au films: Modeling and respective contributions of X-ray diffraction, nanoindentation and Brillouin light scattering

International Nuclear Information System (INIS)

Faurie, D.; Djemia, P.; Le Bourhis, E.; Renault, P.-O.; Roussigne, Y.; Cherif, S.M.; Brenner, R.; Castelnau, O.; Patriarche, G.; Goudeau, Ph.

2010-01-01

Elastic properties of non-textured and {1 1 1}-fiber-textured gold thin films were investigated experimentally by several complementary techniques, namely in situ tensile testing under X-ray diffraction (XRD), nanoindentation and Brillouin light scattering (BLS). Specimens were probed along different directions to reveal the strong effects of elastic anisotropy at the (local) grain and (global) film scales. XRD allows the investigation of both local and global anisotropies, while BLS and nanoindentation are limited to global analyses. A micromechanical model, based on the self-consistent scheme, and accounting for the actual microstructure of the films, is applied to interpret experimental data. Although different types of elastic constants can be determined with the used experimental techniques (static/dynamic, local/global), a good agreement is obtained, showing that comparison of these techniques is feasible when carried out carefully. In particular, the use of a micromechanical model to estimate the effects of the local elastic anisotropy at the film scale is unavoidable. The presented results show that XRD, BLS and nanoindentation should capture anisotropic texture effects on elastic constants measurements for materials with a Zener anisotropy index larger than 2. Conversely, the actual texture of a given specimen should be taken into account for a proper analysis of elastic constants measurements using those three experimental techniques.

Determination of prestress and elastic properties of virus capsids

Science.gov (United States)

Aggarwal, Ankush

2018-03-01

Virus capsids are protein shells that protect the virus genome, and determination of their mechanical properties has been a topic of interest because of their potential use in nanotechnology and therapeutics. It has been demonstrated that stresses exist in virus capsids, even in their equilibrium state, due to their construction. These stresses, termed "prestresses" in this study, closely affect the capsid's mechanical behavior. Three methods—shape-based metric, atomic force microscope indentation, and molecular dynamics—have been proposed to determine the capsid elastic properties without fully accounting for prestresses. In this paper, we theoretically analyze the three methods used for mechanical characterization of virus capsids and numerically investigate how prestresses affect the capsid's mechanical properties. We consolidate all the results and propose that by using these techniques collectively, it is possible to accurately determine both the mechanical properties and prestresses in capsids.

Elastic properties of sub-stoichiometric nitrogen ion implanted silicon

Energy Technology Data Exchange (ETDEWEB)

Sarmanova, M.F., E-mail: marina.sarmanova@iom-leipzig.de [Leibniz Institute of Surface Modification, D-04318 Leipzig (Germany); Karl, H. [University Augsburg, Institute of Physics, D-86135 Augsburg (Germany); Mändl, S.; Hirsch, D. [Leibniz Institute of Surface Modification, D-04318 Leipzig (Germany); Mayr, S.G.; Rauschenbach, B. [Leibniz Institute of Surface Modification, D-04318 Leipzig (Germany); University Leipzig, Institute for Experimental Physics II, D-04103 Leipzig (Germany)

2015-04-15

Elastic properties of sub-stoichiometric nitrogen implanted silicon were measured with nanometer-resolution using contact resonance atomic force microscopy (CR-AFM) as function of ion fluence and post-annealing conditions. The determined range of indentation moduli was between 100 and 180 GPa depending on the annealing duration and nitrogen content. The high indentation moduli can be explained by formation of Si–N bonds, as verified by X-ray photoelectron spectroscopy.

Coupled polaritonic band gaps in the anisotropic piezoelectric superlattices

Science.gov (United States)

Tang, Zheng-Hua; Jiang, Zheng-Sheng; Chen, Tao; Jiang, Chun-Zhi; Lei, Da-Jun; Huang, Jian-Quan; Qiu, Feng; Yao, Min; Huang, Xiao-Yi

2018-01-01

Anisotropic piezoelectric superlattices (APSs) with the periodic arrangement of polarized anisotropic piezoelectric domains in a certain direction are presented, in which the coupled polaritonic band gaps (CPBGs) can be obtained in the whole Brillouin Zone and the maximum relative bandwidth (band-gap sizes divided by their midgap frequencies) of 5.1% can be achieved. The general characteristics of the APSs are similar to those of the phononic crystals composed of two types of materials, with the main difference being the formation mechanism of the CPBGs, which originate from the couplings between lattice vibrations along two different directions and electromagnetic waves rather than from the periodical modulation of density and elastic constants. In addition, there are no lattice mismatches because the APSs are made of the same material. Thus, the APSs can also be extended to the construction of novel acousto-optic devices.

An anisotropically and heterogeneously aligned patterned electrospun scaffold with tailored mechanical property and improved bioactivity for vascular tissue engineering.

Science.gov (United States)

Xu, He; Li, Haiyan; Ke, Qinfei; Chang, Jiang

2015-04-29

The development of vascular scaffolds with controlled mechanical properties and stimulatory effects on biological activities of endothelial cells still remains a significant challenge to vascular tissue engineering. In this work, we reported an innovative approach to prepare a new type of vascular scaffolds with anisotropically and heterogeneously aligned patterns using electrospinning technique with unique wire spring templates, and further investigated the structural effects of the patterned electrospun scaffolds on mechanical properties and angiogenic differentiation of human umbilical vein endothelial cells (HUVECs). Results showed that anisotropically aligned patterned nanofibrous structure was obtained by depositing nanofibers on template in a structurally different manner, one part of nanofibers densely deposited on the embossments of wire spring and formed cylindrical-like structures in the transverse direction, while others loosely suspended and aligned along the longitudinal direction, forming a three-dimensional porous microstructure. We further found that such structures could efficiently control the mechanical properties of electrospun vascular scaffolds in both longitudinal and transverse directions by altering the interval distances between the embossments of patterned scaffolds. When HUVECs were cultured on scaffolds with different microstructures, the patterned scaffolds distinctively promoted adhesion of HUVECs at early stage and proliferation during the culture period. Most importantly, cells experienced a large shape change associated with cell cytoskeleton and nuclei remodeling, leading to a stimulatory effect on angiogenesis differentiation of HUVECs by the patterned microstructures of electrospun scaffolds, and the scaffolds with larger distances of intervals showed a higher stimulatory effect. These results suggest that electrospun scaffolds with the anisotropically and heterogeneously aligned patterns, which could efficiently control the

Anisotropic instability of the photoelectrons generated by soft x-ray radiation of the laser-produced plasma focus

International Nuclear Information System (INIS)

Klumov, B.A.; Tarakanov, V.P.

1994-01-01

The electron field with the anisotropic distribution function is being formed when the gas is being affected with ionizing radiation. The anisotropy of the distribution function occurs due to the fact that photoelectrons fly mainly in the direction perpendicular to that of ionizing radiation quantum propagation. In order to emphasize the most typical features of the developed anisotropic instability, photoelectrons were believed to fly strictly across the photon propagation direction. Two-dimensional electromagnetic particle simulations have been carried out to study high-frequency disturbances in the plasma produced by ionizing radiation. Elastic processes were taken into account. It has been shown, in particular, that the energy of anisotropic electrons transforms mainly into that of magnetic pulsations (approximately 7% of the energy transforms into that of magnetic pulsations). Development of the anisotropic instability result in a space stratification into current filaments. The anisotropic instability study can be important for an interpretation of electromagnetic emission spectra for a plasma disturbed by radiation

First principles study of electronic, elastic and thermal properties of lutetium intermetallics

International Nuclear Information System (INIS)

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

2011-01-01

In the present work, the electronic, elastic and thermal properties of lutetium intermetallics LuX have been studied theoretically by using first principles calculations based on density functional theory (DFT) with the generalized gradient approximation (GCA)

CONCERNING THE ELASTIC ORTHOTROPIC MODEL APPLIED TO WOOD ELASTIC PROPERTIES

OpenAIRE

Tadeu Mascia,Nilson

2003-01-01

Among the construction materials, wood reveals an orthotropic pattern, because of unique characteristics in its internal structure with three axes of wood biological directions (longitudinal, tangential and radial). elastic symmetry: longitudinal, tangential and radial, reveals an orthotropic pattern. The effect of grain angle orientation onin the elastic modulus constitutes the fundamental cause forof wood anisotropy. It is responsible for the greatest changes in the values of the constituti...

Statistical ensembles and molecular dynamics studies of anisotropic solids. II

International Nuclear Information System (INIS)

Ray, J.R.; Rahman, A.

1985-01-01

We have recently discussed how the Parrinello--Rahman theory can be brought into accord with the theory of the elastic and thermodynamic behavior of anisotropic media. This involves the isoenthalpic--isotension ensemble of statistical mechanics. Nose has developed a canonical ensemble form of molecular dynamics. We combine Nose's ideas with the Parrinello--Rahman theory to obtain a canonical form of molecular dynamics appropriate to the study of anisotropic media subjected to arbitrary external stress. We employ this isothermal--isotension ensemble in a study of a fcc→ close-packed structural phase transformation in a Lennard-Jones solid subjected to uniaxial compression. Our interpretation of the Nose theory does not involve a scaling of the time variable. This latter fact leads to simplifications when studying the time dependence of quantities

Ultrasonic measurement of high burn-up fuel elastic properties

International Nuclear Information System (INIS)

Laux, D.; Despaux, G.; Augereau, F.; Attal, J.; Gatt, J.; Basini, V.

2006-01-01

The ultrasonic method developed for the evaluation of high burn-up fuel elastic properties is presented hereafter. The objective of the method is to provide data for fuel thermo-mechanical calculation codes in order to improve industrial nuclear fuel and materials or to design new reactor components. The need for data is especially crucial for high burn-up fuel modelling for which the fuel mechanical properties are essential and for which a wide range of experiments in MTR reactors and high burn-up commercial reactor fuel examinations have been included in programmes worldwide. To contribute to the acquisition of this knowledge the LAIN activity is developing in two directions. First one is development of an ultrasonic focused technique adapted to active materials study. This technique was used few years ago in the EdF laboratory in Chinon to assess the ageing of materials under irradiation. It is now used in a hot cell at ITU Karlsruhe to determine the elastic moduli of high burnup fuels from 0 to 110 GWd/tU. Some of this work is presented here. The second on going programme is related to the qualification of acoustic sensors in nuclear environments, which is of a great interest for all the methods, which work, in a hostile nuclear environment

Complex stiffness formulation for the finite element analysis of anisotropic axisymmetric solids subjected to nonsymmetric loads

International Nuclear Information System (INIS)

Frater, J.; Lestingi, J.; Padovan, J.

1977-01-01

This paper describes the development of an improved semi-analytical finite element for the stress analysis of anisotropic axisymmetric solids subjected to nonsymmetric loads. Orthogonal functions in the form of finite Fourier exponential transforms, which satisfy the equations of equilibrium of the theory of elasticity for an anisotropic solid of revolution, are used to expand the imposed loadings and displacement field. It is found that the orthogonality conditions for the assumed solution reduce the theta-dependency, thus reducing the three dimensional problem to an infinite series of two dimensional problems. (Auth.)

Mode I crack analysis in single crystals with anisotropic discrete dislocation plasticity : I. Formulation and crack growth

NARCIS (Netherlands)

Shishvan, Siamak Soleymani; Van der Giessen, Erik

Analyses of monotonic loading of a plane-strain mode I crack in an fcc single crystal under small-scale yielding are carried out using discrete dislocation plasticity (DDP) incorporating anisotropic elasticity. Two crystallographically symmetric crack orientations are considered where plane-strain

Modeling of anisotropic properties of double quantum rings by the terahertz laser field.

Science.gov (United States)

Baghramyan, Henrikh M; Barseghyan, Manuk G; Kirakosyan, Albert A; Ojeda, Judith H; Bragard, Jean; Laroze, David

2018-04-18

The rendering of different shapes of just a single sample of a concentric double quantum ring is demonstrated realizable with a terahertz laser field, that in turn, allows the manipulation of electronic and optical properties of a sample. It is shown that by changing the intensity or frequency of laser field, one can come to a new set of degenerated levels in double quantum rings and switch the charge distribution between the rings. In addition, depending on the direction of an additional static electric field, the linear and quadratic quantum confined Stark effects are observed. The absorption spectrum shifts and the additive absorption coefficient variations affected by laser and electric fields are discussed. Finally, anisotropic electronic and optical properties of isotropic concentric double quantum rings are modeled with the help of terahertz laser field.

Yttrium aluminium garnet under pressure: Structural, elastic, and vibrational properties from ab initio studies

International Nuclear Information System (INIS)

Monteseguro, V.; Rodríguez-Hernández, P.; Muñoz, A.

2015-01-01

The structural, elastic, and vibrational properties of yttrium aluminum garnet Y 3 Al 5 O 12 are studied under high pressure by ab initio calculations in the framework of the density functional theory. The calculated ground state properties are in good agreement with the available experimental data. Pressure dependences of bond length and bulk moduli of the constituent polyhedra are reported. The evolution of the elastic constants and the major elastic properties, Young and shear modulus, Poisson's ratios, and Zener anisotropy ratio, are described. The mechanical stability is analyzed, on the light of “Born generalized stability criteria,” showing that the garnet is mechanically unstable above 116 GPa. Symmetries, frequencies, and pressure coefficients of the Raman-active modes are discussed on the basis of the calculated total and partial phonon density of states, which reflect the dynamical contribution of each atom. The relations between the phonon modes of Y 3 Al 5 O 12 and the internal and external molecular modes of the different polyhedra are discussed. Infrared-active modes, as well as the silent modes, and their pressure dependence are also investigated. No dynamical instabilities were found below 116 GPa

Anisotropic perturbations due to dark energy

International Nuclear Information System (INIS)

Battye, Richard A.; Moss, Adam

2006-01-01

A variety of observational tests seem to suggest that the Universe is anisotropic. This is incompatible with the standard dogma based on adiabatic, rotationally invariant perturbations. We point out that this is a consequence of the standard decomposition of the stress-energy tensor for the cosmological fluids, and that rotational invariance need not be assumed, if there is elastic rigidity in the dark energy. The dark energy required to achieve this might be provided by point symmetric domain wall network with P/ρ=-2/3, although the concept is more general. We illustrate this with reference to a model with cubic symmetry and discuss various aspects of the model

Anomalous structural changes and elastic properties of bismuth oxide superconductors

International Nuclear Information System (INIS)

He, Y.S.; Xiang, J.; Chang, F.G.; Zhang, J.C.; He, A.S.; Wang, H.; Gu, B.L.

1989-01-01

Ultrasonic measurement revealed that there are anomalous structural changes near 200 K in single 2212 or 2223 phase samples of Bi(Pb)-Sr-Ca-Cu-O. Detailed study showed such anomalous changes are isothermal-like processes and have a characteristics of second order phase transition, accompanying with increases in lattice constants. The elastic properties of these ceramics and related systems are discussed

The structural, elastic, electronic properties and Debye temperature of Ni3Mo under pressure from first-principles

International Nuclear Information System (INIS)

Qi, Lei; Jin, Yuchun; Zhao, Yuhong; Yang, Xiaomin; Zhao, Hui; Han, Peide

2015-01-01

Highlights: • Structural, elastic, electronic properties and Debye temperature under pressure. • Higher hardness of Ni 3 Mo compound may be obtained when pressure increases. • Proper pressure can improve the ductility but excess pressure was just the opposite. • Ni 3 Mo compound has no structural phase transformation under pressure up to 30 GPa. • Debye temperatures increase with increasing pressure. - Abstract: With the help of first principles method based on density functional theory, the structural, elastic, electronic properties and Debye temperature of Ni 3 Mo binary compound under pressure are investigated. Our calculated structural parameters are in good agreement with experimental and previous theoretical results. The obtained elastic constants show that Ni 3 Mo compound is mechanically stable. Elastic properties such as bulk modulus B, shear modulus G, Young’s modulus E and Poisson’s ratio υ are calculated by the Voigt–Reuss–Hill method. The results of B/G under various pressures show that proper pressure can improve the ductility of Ni 3 Mo but excess pressure will make the ductility decrease. In addition, the density of states as a function of pressure is analyzed. The Debye temperature Θ D calculated from elastic constants increases along with the pressure

Elastic properties and spectroscopic studies of Na 2 O–ZnO–B 2 O 3 ...

Indian Academy of Sciences (India)

Elastic properties, 11B MAS–NMR and IR spectroscopic studies have been employed to study the structure of Na2O–ZnO–B2O3 glasses. Sound velocities and elastic moduli such as longitudinal, Young's, bulk and shear modulus have been measured at a frequency of 10 MHz as a function of ZnO concentration.

Effect of niobium on microstructure and magnetic properties of bulk anisotropic NdFeB/{alpha}-Fe nanocomposites

Energy Technology Data Exchange (ETDEWEB)

Li Jun [School of Materials Science and Engineering, Sichuan University, Chengdu 610065 (China); Liu Ying, E-mail: Liuying5536@163.com [School of Materials Science and Engineering, Sichuan University, Chengdu 610065 (China) and Key Laboratory of Advanced Special Material and Technology, Ministry of Education, Chengdu 610065 (China); Ma Yilong [School of Materials Science and Engineering, Sichuan University, Chengdu 610065 (China)

2012-07-15

Bulk anisotropic NdFeB/{alpha}-Fe nano-composites were obtained directly from alloys of Nd{sub 11}Dy{sub 0.5}Fe{sub 82.4-x}Nb{sub x}B{sub 6.1} (x=0,0.5,1.0,1.5). High resolution transmission electron microscopy images showed the existence of Nb-rich amorphous grain boundary phase in the alloys with Nb doped. Field emission scanning electron microscope morphologies and X-ray diffraction patterns revealed the grain size and grain alignment of hot pressed and hot deformed nanocomposites. It was found that Nb could refine the grain size and grain texture in hot worked ribbons. Vibrating sample magnetometer results showed that the magnetic properties of the anisotropic nanocomposites were improved with increased Nb doping. The remanence, coercivity and maximum energy product of the bulk anisotropic Nd{sub 11}Dy{sub 0.5}Fe{sub 80.4}Nb{sub 2}B{sub 6.1} nanocomposites were 1.04 T, 563 kA/m and 146 kJ/m{sup 3}, respectively. - Highlights: Black-Right-Pointing-Pointer Nb has great influence on the microstructure and magnetic properties of (NdDy){sub 11.5}Fe{sub 82.4-x}Nb{sub x}B{sub 6.1} (x=0-2.0) nanocomposites. Black-Right-Pointing-Pointer Most of Nb atoms gather in the grain boundary to form Nb-rich amorphous intergranular phase, not NbFeB boride. Black-Right-Pointing-Pointer Furthermore, grain alignment can be prompt by the Nb-rich solid intergranular phase during deform. Black-Right-Pointing-Pointer Remanence, coercivity and (BH){sub m} of deformed (NdDy){sub 11.5}Fe{sub 80.4}Nb{sub 2}B{sub 6.1} nanocomposite is 1.04T, 563 kA/m and 146 kJ/m{sup 3} respectively. Black-Right-Pointing-Pointer This study provides an alternative method for prepare anisotropic nanocomposite direct from Nd-lean alloys with low cost.

The importance of anisotropic scattering in high energy neutron transport problems

International Nuclear Information System (INIS)

Prillinger, G.; Mattes, M.

1984-01-01

To describe the highly anisotropic scattering of very fast neutrons adequately the transport code ANISN has been improved. Fokker-Planck terms have been introduced into the transport equation which accurately describe the small changes in energy and angle. The new code has been tested for a d(50)-Be neutron source in a deep penetration iron problem. The influence of the forward peaked elastic scattering on the fast neutron spectrum is shown to be significant and can be handled efficiently in the new ANISN version. Since common cross-section libraries are limited by Legendre expansion, or by their upper energy boundary, or exclude elastic scattering above 20 MeV a special library has been created. (Auth.)

First-principles calculations for the elastic properties of Ni-base model superalloys: Ni/Ni3Al multilayers

International Nuclear Information System (INIS)

Yun-Jiang, Wang; Chong-Yu, Wang

2009-01-01

A model system consisting of Ni[001](100)/Ni 3 Al[001](100) multi-layers are studied using the density functional theory in order to explore the elastic properties of single crystal Ni-based superalloys. Simulation results are consistent with the experimental observation that rafted Ni-base superalloys virtually possess a cubic symmetry. The convergence of the elastic properties with respect to the thickness of the multilayers are tested by a series of multilayers from 2γ'+2γ to 10γ'+10γ atomic layers. The elastic properties are found to vary little with the increase of the multilayer's thickness. A Ni/Ni 3 Al multilayer with 10γ'+10γ atomic layers (3.54 nm) can be used to simulate the mechanical properties of Ni-base model superalloys. Our calculated elastic constants, bulk modulus, orientation-dependent shear modulus and Young's modulus, as well as the Zener anisotropy factor are all compatible with the measured results of Ni-base model superalloys R1 and the advanced commercial superalloys TMS-26, CMSX-4 at a low temperature. The mechanical properties as a function of the γ' phase volume fraction are calculated by varying the proportion of the γ and γ' phase in the multilayers. Besides, the mechanical properties of two-phase Ni/Ni 3 Al multilayer can be well predicted by the Voigt–Reuss–Hill rule of mixtures. (classical areas of phenomenology)

Optimizing Thermal-Elastic Properties of C/C–SiC Composites Using a Hybrid Approach and PSO Algorithm

Science.gov (United States)

Xu, Yingjie; Gao, Tian

2016-01-01

Carbon fiber-reinforced multi-layered pyrocarbon–silicon carbide matrix (C/C–SiC) composites are widely used in aerospace structures. The complicated spatial architecture and material heterogeneity of C/C–SiC composites constitute the challenge for tailoring their properties. Thus, discovering the intrinsic relations between the properties and the microstructures and sequentially optimizing the microstructures to obtain composites with the best performances becomes the key for practical applications. The objective of this work is to optimize the thermal-elastic properties of unidirectional C/C–SiC composites by controlling the multi-layered matrix thicknesses. A hybrid approach based on micromechanical modeling and back propagation (BP) neural network is proposed to predict the thermal-elastic properties of composites. Then, a particle swarm optimization (PSO) algorithm is interfaced with this hybrid model to achieve the optimal design for minimizing the coefficient of thermal expansion (CTE) of composites with the constraint of elastic modulus. Numerical examples demonstrate the effectiveness of the proposed hybrid model and optimization method. PMID:28773343

Characterization of fracture properties of thin aluminum inclusions embedded in anisotropic laminate composites

Directory of Open Access Journals (Sweden)

Gabriella Bolzon

2012-01-01

Full Text Available The fracture properties of thin aluminum inclusions embedded in anisotropic paperboard composites, of interest for food and beverage packaging industry, can be determined by performing tensile tests on non-conventional heterogeneous specimens. The region of interest of the investigated material samples is monitored all along the experiment by digital image correlation techniques, which allow to recover qualitative and quantitative information about the metal deformation and about the evolution of the damaging processes leading to the detachment of the inclusion from the surrounding laminate composite. The interpretation of the laboratory results is supported by the numerical simulation of the tests.

Elastic properties and molar volume of rare-earth aluminosilicae glasses

International Nuclear Information System (INIS)

Tanabe, S.; Hirao, K.; Soga, N.

1992-01-01

This paper reports on the elastic properties, molar volume, and glass transition temperature (T g ) of rare-earth-containing aluminosilicate glasses that were investigated in the compositions of SiO 2 --LnAlO 3 and SiO 2 --Ln 3/4 Al 5/4 O 3 , where Ln is Y, La, Nd, Eu, or Yb. The molar volume decreased with decreased ionic size of the Ln 3+ ion, and T g and elastic moduli increased in the same order. The Yb-containing glasses showed the highest Young's modulus among all the oxide glasses, even higher than the highest value ever known fro glass containing Y 2 O 3 , as expected from the smaller ionic radius of Yb 3+ than that of Y 3+ . The bulk modulus was found to be almost proportional to the inverse four-thirds power of the molar volume of glasses in each composition, indicating that Ln 3+ ions can substitute for each other without changing the glass structure except for the size of the local structure around themselves. From the comparison of these properties, the structural role of rate-earth ions in these glasses is discussed

Some practical results for calculating the elastic properties of cubic polycrystals with texture measured by neutron diffraction

International Nuclear Information System (INIS)

Lychagina, T.A.; Brokmeier, H.G.

1999-01-01

Complete text of publication follows. It is well known that the elastic properties of a polycrystalline material are strongly dependent on the one hand the single crystal elastic properties and on the other hand its crystallographic texture [1]. The calculation of these properties needs the quantitative texture given by the orientation distribution function (ODF), which represents texture mathematically. By a given set of experimental pole figures a number of programs are available to calculate the ODF, which might have an influence on the resulting properties. The aim of this work is to compare elastic properties of cubic materials calculated with ODFs obtained by different methods. The calculations were carried out on a cold rolled Al-6%Mg alloy sheet and on a copper rod. Experimental pole figures were obtained by means of neutron diffraction [2] and used for ODF calculation. The conformity between different results will be discussed. (author) [1] H.J. Bunge 1982, Texture Analysis in Material Science - Mathematical Methods, Butterworth, London.; [2] H.G. Brokmeier, U. Zink, R. Schnieber, B. Witassek, Material Science Forum (1998), 273-275, 277

Experimental investigation on high temperature anisotropic compression properties of ceramic-fiber-reinforced SiO2 aerogel

International Nuclear Information System (INIS)

Shi, Duoqi; Sun, Yantao; Feng, Jian; Yang, Xiaoguang; Han, Shiwei; Mi, Chunhu; Jiang, Yonggang; Qi, Hongyu

2013-01-01

Compression tests were conducted on a ceramic-fiber-reinforced SiO 2 aerogel at high temperature. Anisotropic mechanical property was found. In-plane Young's modulus is more than 10 times higher than that of out-of-plane, but fracture strain is much lower by a factor of 100. Out-of-plane Young's modulus decreases with increasing temperature, but the in-plane modulus and fracture stress increase with temperature. The out-of-plane property does not change with loading rates. Viscous flow at high temperature is found to cause in-plane shrinkage, and both in-plane and out-of-plane properties change. Compression induced densification of aerogel matrix was also found by Scanning Electron Microscope analysis

Anisotropic and Hierarchical Porosity in Multifunctional Ceramics

Science.gov (United States)

Lichtner, Aaron Zev

The performance of multifunctional porous ceramics is often hindered by the seemingly contradictory effects of porosity on both mechanical and non-structural properties and yet a sufficient body of knowledge linking microstructure to these properties does not exist. Using a combination of tailored anisotropic and hierarchical materials, these disparate effects may be reconciled. In this project, a systematic investigation of the processing, characterization and properties of anisotropic and isotropic hierarchically porous ceramics was conducted. The system chosen was a composite ceramic intended as the cathode for a solid oxide fuel cell (SOFC). Comprehensive processing investigations led to the development of approaches to make hierarchical, anisotropic porous microstructures using directional freeze-casting of well dispersed slurries. The effect of all the important processing parameters was investigated. This resulted in an ability to tailor and control the important microstructural features including the scale of the microstructure, the macropore size and total porosity. Comparable isotropic porous ceramics were also processed using fugitive pore formers. A suite of characterization techniques including x-ray tomography and 3-D sectional scanning electron micrographs (FIB-SEM) was used to characterize and quantify the green and partially sintered microstructures. The effect of sintering temperature on the microstructure was quantified and discrete element simulations (DEM) were used to explain the experimental observations. Finally, the comprehensive mechanical properties, at room temperature, were investigated, experimentally and using DEM, for the different microstructures.

Properties of Inconel 625 mesh structures grown by electron beam additive manufacturing

Energy Technology Data Exchange (ETDEWEB)

List, F.A., E-mail: listfaiii@ornl.gov [Oak Ridge National Laboratory, 1 Bethel Valley Rd., Oak Ridge, TN (United States); Dehoff, R.R.; Lowe, L.E. [Oak Ridge National Laboratory, 1 Bethel Valley Rd., Oak Ridge, TN (United States); Sames, W.J. [Texas A and M University, College Station, TX (United States)

2014-10-06

Relationships between electron beam parameters (beam current, beam speed, and beam focus) and physical properties (mass, diameter, elastic modulus, and yield strength) have been investigated for Inconel 625 mesh cubes fabricated using an additive manufacturing technology based on electron beam melting. The elastic modulus and yield strength of the mesh cubes have been systematically varied by approximately a factor of ten by changing the electron beam parameters. Simple models have been used to understand these relationships. Structural anisotropies of the mesh associated with the layered build architecture have been observed and may contribute, along with microstructural anisotropies, to the anisotropic mechanical properties of the mesh. Knowledge of this kind is likely applicable to other metal and alloy systems and is essential to rapidly realize the full potential of this burgeoning technology.

Properties of Inconel 625 mesh structures grown by electron beam additive manufacturing

International Nuclear Information System (INIS)

List, F.A.; Dehoff, R.R.; Lowe, L.E.; Sames, W.J.

2014-01-01

Relationships between electron beam parameters (beam current, beam speed, and beam focus) and physical properties (mass, diameter, elastic modulus, and yield strength) have been investigated for Inconel 625 mesh cubes fabricated using an additive manufacturing technology based on electron beam melting. The elastic modulus and yield strength of the mesh cubes have been systematically varied by approximately a factor of ten by changing the electron beam parameters. Simple models have been used to understand these relationships. Structural anisotropies of the mesh associated with the layered build architecture have been observed and may contribute, along with microstructural anisotropies, to the anisotropic mechanical properties of the mesh. Knowledge of this kind is likely applicable to other metal and alloy systems and is essential to rapidly realize the full potential of this burgeoning technology

The first principles study of elastic and thermodynamic properties of ZnSe

Science.gov (United States)

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.

Band gaps in periodically magnetized homogeneous anisotropic media

Science.gov (United States)

Merzlikin, A. M.; Levy, M.; Vinogradov, A. P.; Wu, Z.; Jalali, A. A.

2010-11-01

In [A. M. Merzlikin, A. P. Vinogradov, A. V. Dorofeenko, M. Inoue, M. Levy, A. B. Granovsky, Physica B 394 (2007) 277] it is shown that in anisotropic magnetophotonic crystal made of anisotropic dielectric layers and isotropic magneto-optical layers the magnetization leads to formation of additional band gaps (BG) inside the Brillouin zones. Due to the weakness of the magneto-optical effects the width of these BG is much smaller than that of usual BG forming on the boundaries of Brillouin zones. In the present communication we show that though the anisotropy suppresses magneto-optical effects. An anisotropic magnetophotonic crystal made of anisotropic dielectric layers and anisotropic magneto-optical; the width of additional BG may be much greater than the width of the usual Brillouin BG. Anisotropy tends to suppress Brillouin zone boundary band gap formation because the anisotropy suppresses magneto-optical properties, while degenerate band gap formation occurs around points of effective isotropy and is not suppressed.

Structural and elastic properties of AIBIIIC 2 VI semiconductors

Science.gov (United States)

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.

The porosity effect on properties of sintered materials as their conductivity and Youngs modulus of elasticity

International Nuclear Information System (INIS)

Ondracek, G.; Thuemmler, F.

1979-01-01

A set of equations derived demonstrates quantitatively the influence of closed pores on the conductivity as well as on Youngsmodulus of elasticity of sintered materials. There are three microstructural parameters following from the theoretical derivation controlling the porosity effect on the properties, which are the total porosity, the form factor and the orientation factor of the pores. By quantitative microstructure analysis these factors become available providing together with the equations the tool - to calculate the conductivity and Youngs modulus of elasticity from microstructural quantities of sintered materials thus substituting direct property measurements by quantitative microstructure analysis if desired - to endeaver technologically optimum microstructures to obtain theoretically predicted special property values and to precalculate property alterations by microstructure variations ('taylor-made-materials') - to supplement the conventional microstructural quality control by calculated property data. (orig.) [de

XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.

Science.gov (United States)

Mohanraj, J; Capria, E; Benevoli, L; Perucchi, A; Demitri, N; Fraleoni-Morgera, A

2018-01-17

The anisotropic thermal expansion properties of an organic semiconducting single crystal constituted by 4-hydroxycyanobenzene (4HCB) have been probed by XRD in the range 120-300 K. The anisotropic thermal expansion coefficients for the three crystallographic axes and for the crystal volume have been determined. A careful analysis of the crystal structure revealed that the two different H-bonds stemming from the two independent, differently oriented 4HCB molecules composing the unit cell have different rearrangement patterns upon temperature variations, in terms of both bond length and bond angle. Linearly Polarized Mid InfraRed (LP-MIR) measurements carried out in the same temperature range, focused on the O-H bond spectral region, confirm this finding. The same LP-MIR measurements, on the basis of a semi-empirical relation and of geometrical considerations and assumptions, allowed calculation of the -CNH-O- hydrogen bond length along the a and b axes of the crystal. In turn, the so-calculated -CNH-O- bond lengths were used to derive the thermal expansion coefficients along the corresponding crystal axes, as well as the volumetric one, using just the LP-MIR data. Reasonable to good agreement with the same values obtained from XRD measurements was obtained. This proof-of-principle opens interesting perspectives about the possible development of a rapid, low cost and industry-friendly assessment of the thermal expansion properties of organic semiconducting single crystals (OSSCs) involving hydrogen bonds.

Korn inequalities for elastic junctions of massive bodies, thin plates, and rods

International Nuclear Information System (INIS)

Nazarov, S A

2008-01-01

Korn inequalities have been obtained for junctions of massive elastic bodies, thin plates, and rods in many different combinations. These inequalities are asymptotically sharp thanks to the introduction of various weight factors in the L 2 -norms of the displacements and their derivatives. Since thin bodies display different reactions to stretching and bending, such Korn inequalities are necessarily anisotropic. Junctions of elastic bodies with contrasting stiffness are allowed, but the constants in the inequalities obtained are independent of both the relative thickness h element of (0,1] and the relative rigidity μ element of (0,+∞). The norms corresponding to rigidly clamped elements of a structure are essentially different from the norms corresponding to hard-movable or movable elements that are not fastened directly, but only by means of neighbouring elements; therefore, an adequate structure of the weighted anisotropic norms is determined by the geometry of the whole junction. Each variant of Korn inequality is supplied with an example confirming the optimal choice of the weight factors

Dynamical anisotropic response of black phosphorus under magnetic field

Science.gov (United States)

Liu, Xuefeng; Lu, Wei; Zhou, Xiaoying; Zhou, Yang; Zhang, Chenglong; Lai, Jiawei; Ge, Shaofeng; Sekhar, M. Chandra; Jia, Shuang; Chang, Kai; Sun, Dong

2018-04-01

Black phosphorus (BP) has emerged as a promising material candidate for next generation electronic and optoelectronic devices due to its high mobility, tunable band gap and highly anisotropic properties. In this work, polarization resolved ultrafast mid-infrared transient reflection spectroscopy measurements are performed to study the dynamical anisotropic optical properties of BP under magnetic fields up to 9 T. The relaxation dynamics of photoexcited carrier is found to be insensitive to the applied magnetic field due to the broadening of the Landau levels and large effective mass of carriers. While the anisotropic optical response of BP decreases with increasing magnetic field, its enhancement due to the excitation of hot carriers is similar to that without magnetic field. These experimental results can be well interpreted by the magneto-optical conductivity of the Landau levels of BP thin film, based on an effective k · p Hamiltonian and linear response theory. These findings suggest attractive possibilities of multi-dimensional control of anisotropic response (AR) of BP with light, electric and magnetic field, which further introduces BP to the fantastic magnetic field sensitive applications.

Density functional theory investigation of elastic properties and martensitic transformation of Ti-Ta alloys

Energy Technology Data Exchange (ETDEWEB)

Chakraborty, Tanmoy; Rogal, Jutta; Drautz, Ralf [Interdisciplinary Centre for Advanced Materials Simulation, Ruhr- Universitaet Bochum (Germany)

2016-07-01

Ti-Ta alloys are considered as promising materials for high temperature shape memory alloys as well as biomedical applications. The properties of these alloys have been shown to be strongly composition dependent. The temperature for the martensitic transformation between the high temperature cubic austenite and the low temperature orthorhombic martensite decreases linearly with increasing Ta content. Likewise, the elastic properties show clear trends with changing composition. We use density functional theory to investigate the involved phases in Ti-Ta where the disordered phases are treated by special quasi-random structures. To compare the stability of the involved phases as a function of temperature we calculate free energies using the quasi-harmonic Debye model. The obtained trends in the stability are consistent with experimentally measured transformation temperatures. Furthermore, we determine elastic properties which are in good agreement with experimentally observed trends.

Quantum Mechanical Calculations Of Elastic Properties Of Doped Tetragonal Yttria-Stabilized Zirconium Dioxide

Directory of Open Access Journals (Sweden)

Yuriy Natanzon

2008-01-01

Full Text Available We report first principles calculations of the electronic and elastic properties of yttriastabilized tetragonal zirconium dioxide doped with metal oxides like: GeO2, TiO2, SiO2,MgO and Al2O3. It is shown that addition of such dopants affects selected elastic propertiesof ZrO2, which is driven by the attraction of electron density by dopant atom and creationof stronger dopant–oxygen bonds. This effect contributes to the increase of superplasticityof doped material.

Effect of alloying on elastic properties of ZrN based transition metal nitride alloys

KAUST Repository

Kanoun, Mohammed; Goumri-Said, Souraya

2014-01-01

We report the effect of composition and metal sublattice substitutional element on the structural, elastic and electronic properties of ternary transition metal nitrides Zr1-xMxN with M=Al, Ti, Hf, V, Nb, W and Mo. The analysis of the elastic constants, bulk modulus, shear modulus, Young's modulus, and Poisson's ratio provides insights regarding the mechanical behavior of Zr1-xMxN. We predict that ternary alloys are more ductile compared to their parent binary compounds. The revealed trend in the mechanical behavior might help for experimentalists on the ability of tuning the mechanical properties during the alloying process by varying the concentration of the transition metal. © 2014 Elsevier B.V.

Effect of alloying on elastic properties of ZrN based transition metal nitride alloys

KAUST Repository

Kanoun, Mohammed

2014-09-01

We report the effect of composition and metal sublattice substitutional element on the structural, elastic and electronic properties of ternary transition metal nitrides Zr1-xMxN with M=Al, Ti, Hf, V, Nb, W and Mo. The analysis of the elastic constants, bulk modulus, shear modulus, Young\\'s modulus, and Poisson\\'s ratio provides insights regarding the mechanical behavior of Zr1-xMxN. We predict that ternary alloys are more ductile compared to their parent binary compounds. The revealed trend in the mechanical behavior might help for experimentalists on the ability of tuning the mechanical properties during the alloying process by varying the concentration of the transition metal. © 2014 Elsevier B.V.

Structural and elastic properties of InN nanowires

Energy Technology Data Exchange (ETDEWEB)

Quddus, Ehtesham B.; Wilson, Alina; Liu, Jie; Cai, Zhihua; Veereddy, Deepak; Tao, Xinyong; Li, Xiaodong; Koley, Goutam [Department of Electrical Engineering, University of South Carolina, Columbia, SC 29208 (United States); Webb, Richard A. [Department of Physics and Astronomy and USC Nanocenter, University of South Carolina, Columbia, SC 29208 (United States)

2012-04-15

Structural and elastic properties of InN nanowires (NWs) have been investigated. It was observed that the NWs bend spontaneously or upon meeting an obstacle in their growth path at angles that are multiples of 30 . Lithographically patterned trenches and barriers were found to influence the growth direction of the NWs, which depending on the angle of incidence, grew along the barrier or got deflected from it. Young's modulus of InN NWs, measured by three point bending method using a NW suspended across a trench, was found to be 266 GPa, which is in between the moduli of bulk and thin film InN. Overall, the InN NW properties were found to be very suitable for applications in nanoelectromechanical systems (NEMS) and sensors. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Remarks on the relativistic magnetohydrodynamics of an anisotropic fluid

International Nuclear Information System (INIS)

Ignat, M.

1980-01-01

Considering a pressure tensor of a general form, a relativistic rarefied, anisotropic, infinite electrically conducting and nondissipative plasma is studied. For this purpose, the method of the orthonormal frame of reference is used. The choice of the frame of reference is made adequately to the problem. Some thermodynamical properties of such a relativistic, anisotropic plasma are also given. (author)

Elastic properties of Na 2 O–ZnO–ZnF 2

Indian Academy of Sciences (India)

Elastic properties of Na2O–ZnO–ZnF2–B2O3 oxyfluoride glasses with different ZnF2 concentrations have been investigated using ultrasonic velocity measurements at room temperature, at a frequency of 10 MHz. Glasses prepared by melt quenching method were suitably polished for the ultrasonic velocity measurements ...

Temperature and Pressure Dependences of the Elastic Properties of Tantalum Single Crystals Under Tensile Loading: A Molecular Dynamics Study

Science.gov (United States)

Li, Wei-bing; Li, Kang; Fan, Kan-qi; Zhang, Da-xing; Wang, Wei-dong

2018-04-01

Atomistic simulations are capable of providing insights into physical mechanisms responsible for mechanical properties of the transition metal of Tantalum (Ta). By using molecular dynamics (MD) method, temperature and pressure dependences of the elastic properties of Ta single crystals are investigated through tensile loading. First of all, a comparative study between two types of embedded-atom method (EAM) potentials is made in term of the elastic properties of Ta single crystals. The results show that Ravelo-EAM (Physical Review B, 2013, 88: 134101) potential behaves well at different hydrostatic pressures. Then, the MD simulation results based on the Ravelo-EAM potential show that Ta will experience a body-centered-cubic (BCC) to face-centered-cubic (FCC) phase transition before fracture under tensile loading at 1 K temperature, and model size and strain rate have no obvious effects on tensile behaviors of Ta. Next, from the simulation results at the system temperature from 1 to 1500 K, it can be derived that the elastic modulus of E 100 linearly decrease with the increasing temperature, while the yielding stress decrease with conforming a quadratic polynomial formula. Finally, the pressure dependence of the elastic properties is performed from 0 to 140 GPa and the observations show that the elastic modulus increases with the increasing pressure overall.

The stabilities, electronic structures and elastic properties of Rb—As systems

International Nuclear Information System (INIS)

Ozisik Havva Bogaz; Colakoglu Kemal; Deligoz Engin; Ozisik Haci

2012-01-01

The structural, electronic and elastic properties of Rb—As systems (RbAs in NaP, LiAs and AuCu structures, RbAs 2 in the MgCu 2 structure, Rb 3 As in Na 3 As, Cu 3 P and Li 3 Bi structures, and Rb 5 As 4 in the A 5 B 4 structure) are investigated with the generalized gradient approximation in the frame of density functional theory. The lattice parameters, cohesive energies, formation energies, bulk moduli and the first derivatives of the bulk moduli (to fit Murnaghan's equation of state) of the considered structures are calculated and reasonable agreement is obtained. In addition, the phase transition pressures are also predicted. The electronic band structures, the partial densities of states corresponding to the band structures and the charge density distributions are presented and analysed. The second-order elastic constants based on the stress-strain method and other related quantities such as Young's modulus, the shear modulus, Poisson's ratio, sound velocities, the Debye temperature and shear anisotropy factors are also estimated. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Anisotropic Flow Measurements in ALICE at the Large Hadron Collider

NARCIS (Netherlands)

Bilandzic, A.

2012-01-01

Anisotropic flow is one of the observables which is sensitive to the properties of the created hot and dense system in heavy-ion collisions. In noncentral heavy-ion collisions the initial volume of the interacting system is anisotropic in coordinate space. Due to multiple interactions this anisotropy

Investigation of the Anisotropic Thermoelectric Properties of Oriented Polycrystalline SnSe

Directory of Open Access Journals (Sweden)

Yulong Li

2015-06-01

Full Text Available Polycrystalline SnSe was synthesized by a melting-annealing-sintering process. X-ray diffraction reveals the sample possesses pure phase and strong orientation along [h00] direction. The degree of the orientations was estimated and the anisotropic thermoelectric properties are characterized. The polycrystalline sample shows a low electrical conductivity and a positive and large Seebeck coefficient. The low thermal conductivity is also observed in polycrystalline sample, but slightly higher than that of single crystal. The minimum value of thermal conductivity was measured as 0.3 W/m·K at 790 K. With the increase of the orientation factor, both electrical and thermal conductivities decrease, but the thermopowers are unchanged. As a consequence, the zT values remain unchanged in the polycrystalline samples despite the large variation in the degree of orientation.

Elastic strain relaxation in interfacial dislocation patterns: II. From long- and short-range interactions to local reactions

Science.gov (United States)

Vattré, A.

2017-08-01

The long- and short-range interactions as well as planar reactions between two infinitely periodic sets of crossing dislocations are investigated using anisotropic elasticity theory in face- (fcc) and body- (bcc) centered cubic materials. Two preliminary cases are proposed to examine the substantial changes in the elastic stress states and the corresponding strain energies due to a slight rearrangement in the internal dislocation geometries and characters. In general, significant differences and discrepancies resulting from the considered cubic crystal structure and the approximation of isotropic elasticity are exhibited. In a third scenario, special attention is paid to connecting specific internal dislocation structures from the previous cases with non-equilibrium configurations predicted by the quantized Frank-Bilby equation for the (111) fcc and (110) bcc twist grain boundaries. The present solutions lead to the formation of energetically favorable dislocation junctions with non-randomly strain-relaxed configurations of lower energy. In particular, the local dislocation interactions and reactions form equilibrium hexagonal-shaped patterns with planar three-fold dislocation nodes without producing spurious far-field stresses.Numerical application results are presented from a selection of cubic metals including aluminum, copper, tantalum, and niobium. In contrast to the fcc materials, asymmetric dislocation nodes occur in the anisotropic bcc cases, within which the minimum-energy paths for predicting the fully strain-relaxed dislocation patterns depend on the Zener anisotropic factor with respect to unity. The associated changes in the dislocation structures as well as the removal of the elastic strain energy upon relaxations are quantified and also discussed.

Coulomb-like elastic interaction induced by symmetry breaking in nematic liquid crystal colloids.

Science.gov (United States)

Lee, Beom-Kyu; Kim, Sung-Jo; Kim, Jong-Hyun; Lev, Bohdan

2017-11-21

It is generally thought that colloidal particles in a nematic liquid crystal do not generate the first multipole term called deformation elastic charge as it violates the mechanical equilibrium. Here, we demonstrate theoretically and experimentally that this is not the case, and deformation elastic charges, as well as dipoles and quadrupoles, can be induced through anisotropic boundary conditions. We report the first direct observation of Coulomb-like elastic interactions between colloidal particles in a nematic liquid crystal. The behaviour of two spherical colloidal particles with asymmetric anchoring conditions induced by asymmetric alignment is investigated experimentally; the interaction of two particles located at the boundary of twist and parallel aligned regions is observed. We demonstrate that such particles produce deformation elastic charges and interact by Coulomb-like interactions.

Numerical calculations of effective elastic properties of two cellular structures

International Nuclear Information System (INIS)

Tuncer, Enis

2005-01-01

Young's moduli of regular two-dimensional truss-like and eye-shaped structures are simulated using the finite element method. The structures are idealizations of soft polymeric materials used in ferro-electret applications. In the simulations, the length scales of the smallest representative units are varied, which changes the dimensions of the cell walls in the structures. A power-law expression with a quadratic as the exponent term is proposed for the effective Young's moduli of the systems as a function of the solid volume fraction. The data are divided into three regions with respect to the volume fraction: low, intermediate and high. The parameters of the proposed power-law expression in each region are later represented as a function of the structural parameters, the unit-cell dimensions. The expression presented can be used to predict a structure/property relationship in materials with similar cellular structures. The contribution of the cell-wall thickness to the elastic properties becomes significant at concentrations >0.15. The cell-wall thickness is the most significant factor in predicting the effective Young's modulus of regular cellular structures at high volume fractions of solid. At lower concentrations of solid, the eye-shaped structure yields a lower Young's modulus than a truss-like structure with similar anisotropy. Comparison of the numerical results with those of experimental data for poly(propylene) show good agreement regarding the influence of cell-wall thickness on elastic properties of thin cellular films

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

Directory of Open Access Journals (Sweden)

Sophia Haussener

2012-01-01

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

Size effect of the elastic modulus of rectangular nanobeams: Surface elasticity effect

International Nuclear Information System (INIS)

Yao Hai-Yan; Fan Wen-Liang; Yun Guo-Hong

2013-01-01

The size-dependent elastic property of rectangular nanobeams (nanowires or nanoplates) induced by the surface elasticity effect is investigated by using a developed modified core-shell model. The effect of surface elasticity on the elastic modulus of nanobeams can be characterized by two surface related parameters, i.e., inhomogeneous degree constant and surface layer thickness. The analytical results show that the elastic modulus of the rectangular nanobeam exhibits a distinct size effect when its characteristic size reduces below 100 nm. It is also found that the theoretical results calculated by a modified core-shell model have more obvious advantages than those by other models (core-shell model and core-surface model) by comparing them with relevant experimental measurements and computational results, especially when the dimensions of nanostructures reduce to a few tens of nanometers. (condensed matter: structural, mechanical, and thermal properties)

Acoustic and elastic properties of Sn{sub 2}P{sub 2}S{sub 6} crystals

Energy Technology Data Exchange (ETDEWEB)

Mys, O; Martynyuk-Lototska, I; Vlokh, R [Institute of Physical Optics of the Ministry of Education and Science of Ukraine, 23 Dragomanov Street, 79005 Lviv (Ukraine); Grabar, A [Istitute for Solid State Physics and Chemistry, Uzhgorod National University, 54 Voloshyn Street, 88000 Uzhgorod (Ukraine)], E-mail: vlokh@ifo.lviv.ua

2009-07-01

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

Longitudinal elastic properties and porosity of cortical bone tissue vary with age in human proximal femur.

Science.gov (United States)

Malo, M K H; Rohrbach, D; Isaksson, H; Töyräs, J; Jurvelin, J S; Tamminen, I S; Kröger, H; Raum, K

2013-04-01

Tissue level structural and mechanical properties are important determinants of bone strength. As an individual ages, microstructural changes occur in bone, e.g., trabeculae and cortex become thinner and porosity increases. However, it is not known how the elastic properties of bone change during aging. Bone tissue may lose its elasticity and become more brittle and prone to fractures as it ages. In the present study the age-dependent variation in the spatial distributions of microstructural and microelastic properties of the human femoral neck and shaft were evaluated by using acoustic microscopy. Although these properties may not be directly measured in vivo, there is a major interest to investigate their relationships with the linear elastic measurements obtained by diagnostic ultrasound at the most severe fracture sites, e.g., the femoral neck. However, before the validity of novel in vivo techniques can be established, it is essential to understand the age-dependent variation in tissue elastic properties and porosity at different skeletal sites. A total of 42 transverse cross-sectional bone samples were obtained from the femoral neck (Fn) and proximal femoral shaft (Ps) of 21 men (mean±SD age 47.1±17.8, range 17-82years). Samples were quantitatively imaged using a scanning acoustic microscope (SAM) equipped with a 50MHz ultrasound transducer. Distributions of the elastic coefficient (c33) of cortical (Ct) and trabecular (Tr) tissues and microstructure of cortex (cortical thickness Ct.Th and porosity Ct.Po) were determined. Variations in c33 were observed with respect to tissue type (c33Trc33(Ct.Fn)=35.3GPa>c33(Tr.Ps)=33.8GPa>c33(Tr.Fn)=31.9GPa), and cadaver age (R(2)=0.28-0.46, pbone tissue were observed. These findings may explain in part the increase in susceptibility to suffer low energy fractures during aging and highlight the potential of ultrasound in clinical osteoporosis diagnostics. Copyright © 2013 Elsevier Inc. All rights reserved.

Structure, elastic properties and phase stability of Cr1-xAlxN

International Nuclear Information System (INIS)

Mayrhofer, P.H.; Music, D.; Reeswinkel, Th.; Fuss, H.-G.; Schneider, J.M.

2008-01-01

The effect of composition and metal sublattice population on the phase stability, structure and elastic properties of cubic (c), hexagonal (h) and orthorhombic spin-polarized Cr 1-x Al x N was studied using ab initio calculations. Excellent correlation between ab initio and experimentally obtained lattice parameters and elastic constants was obtained. The energy of formation suggests that the cubic phase can be stabilized for x in the range 0.48-0.75, depending on the metal sublattice population. The broad range of x, which is also observed in experiments, can be understood by considering the Al distribution induced changes in the configurational contribution to the total energy

High pressure and temperature induced structural and elastic properties of lutetium chalcogenides

Science.gov (United States)

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.

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

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Ely Fernando Sacón Vera

2016-10-01

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

Effect of tensile properties on time-dependent C(t) and J(t) integrals in elastic-plastic-creep FE analysis

International Nuclear Information System (INIS)

Lee, So-Dam; Lee, Han-Sang; Kim, Yun-Jae; Ainsworth, Robert A.; Dean, David W.

2016-01-01

This technical note presents the effect of elastic-plastic properties on calculated time-dependent C(t) and J(t) values. This is investigated via systematic elastic-plastic-creep finite element (FE) analysis. Three different stress-strain curves are used, having essentially the same plastic properties at large strains but different tensile data near the 0.2% proof (yield) strength. It is found that the plastic property in stress-strain curve affects the FE C(t) values only at short times (within approximately 20% of the redistribution time). The plastic property affects the initial J values at time t = 0 but not the rate of change of J(t) with time. - Highlights: • The effect of elastic-plastic properties on calculated time-dependent C(t) and J(t) values is presented via FE analysis. • The plastic property affects the FE C(t) values only at short times up to ∼20% of the redistribution time. • The plastic property affects the initial J values at time t = 0 but not the rate of change of J(t) with time.

Ab-initio thermodynamic and elastic properties of AlNi and AlNi3 intermetallic compounds

Science.gov (United States)

Yalameha, Shahram; Vaez, Aminollah

2018-04-01

In this paper, thermodynamic and elastic properties of the AlNi and AlNi3 were investigated using density functional theory (DFT). The full-potential linearized augmented plane-wave (APW) in the framework of the generalized gradient approximation as used as implemented in the Wien2k package. The temperature dependence of thermal expansion coefficient, bulk modulus and heat capacity in a wide range of temperature (0-1600 K) were investigated. The calculated elastic properties of the compounds show that both intermetallic compounds of AlNi and AlNi3 have surprisingly negative Poisson’s ratio (NPR). The results were compared with other experimental and computational data.

First-principles study of the structural, phonon, elastic, and thermodynamic properties of Al_3Ta compound under high pressure

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W. Leini

2018-03-01

Full Text Available We have investigated the phonon, elastic and thermodynamic properties of L1_2 phase Al_3Ta by density functional theory approach combining with quasi-harmonic approximation model. The results of phonon band structure shows that L1_2 phase Al_3Ta possesses dynamical stability in the pressure range from 0 to 80 GPa due to the absence of imaginary frequencies. The pressure dependences of the elastic constants C_ij, bulk modulus B, shear modulus G, Young's modulus Y, B/G and Poisson's ratio ν have been analysed. The elastic constants are satisfied with mechanical stability criteria up to the external pressure of 80 GPa. The results of the elastic properties studies show that Al_3Ta compound possesses a higher hardness, improved ductility and plasticity under higher pressures. Further, we systematically investigate the thermodynamic properties, such as the Debye temperature Θ, heat capacity C_p, and thermal expansion coefficient α, and provide the relationships between thermal parameters and pressure.

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-01-15

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

Exact analysis of the spectral properties of the anisotropic two-bosons Rabi model

International Nuclear Information System (INIS)

Cui, Shuai; Cao, Jun-Peng; Fan, Heng; Amico, Luigi

2017-01-01

We introduce the anisotropic two-photon Rabi model in which the rotating and counter rotating terms enters the Hamiltonian with two different coupling constants. Eigenvalues and eigenvectors are studied with exact means. We employ a variation of the Braak method based on Bogolubov rotation of the underlying su (1, 1) Lie algebra. Accordingly, the spectrum is provided by the analytical properties of a suitable meromorphic function. Our formalism applies to the two-modes Rabi model as well, sharing the same algebraic structure of the two-photon model. Through the analysis of the spectrum, we discover that the model displays close analogies to many-body systems undergoing quantum phase transitions. (paper)

Exact analysis of the spectral properties of the anisotropic two-bosons Rabi model

Science.gov (United States)

Cui, Shuai; Cao, Jun-Peng; Fan, Heng; Amico, Luigi

2017-05-01

We introduce the anisotropic two-photon Rabi model in which the rotating and counter rotating terms enters the Hamiltonian with two different coupling constants. Eigenvalues and eigenvectors are studied with exact means. We employ a variation of the Braak method based on Bogolubov rotation of the underlying su(1, 1) Lie algebra. Accordingly, the spectrum is provided by the analytical properties of a suitable meromorphic function. Our formalism applies to the two-modes Rabi model as well, sharing the same algebraic structure of the two-photon model. Through the analysis of the spectrum, we discover that the model displays close analogies to many-body systems undergoing quantum phase transitions.

Model and calculation of in situ stresses in anisotropic formations

Energy Technology Data Exchange (ETDEWEB)

Yuezhi, W.; Zijun, L.; Lixin, H. [Jianghan Petroleum Institute, (China)

1997-08-01

In situ stresses in transversely isotropic material in relation to wellbore stability have been investigated. Equations for three horizontal in- situ stresses and a new formation fracture pressure model were described, and the methodology for determining the elastic parameters of anisotropic rocks in the laboratory was outlined. Results indicate significantly smaller differences between theoretically calculated pressures and actual formation pressures than results obtained by using the isotropic method. Implications for improvements in drilling efficiency were reviewed. 13 refs., 6 figs.

Competition of elastic and adhesive properties of carbon nanotubes anchored to atomic force microscopy tips

International Nuclear Information System (INIS)

Bernard, Charlotte; Marsaudon, Sophie; Boisgard, Rodolphe; Aime, Jean-Pierre

2008-01-01

In this paper we address the mechanical properties of carbon nanotubes anchored to atomic force microscopy (AFM) tips in a detailed analysis of experimental results and exhaustive description of a simple model. We show that volume elastic and surface adhesive forces both contribute to the dynamical AFM experimental signals. Their respective weights depend on the nanotube properties and on an experimental parameter: the oscillation amplitude. To quantify the elastic and adhesive contributions, a simple analytical model is used. It enables analytical expressions of the resonance frequency shift and dissipation that can be measured in the atomic force microscopy dynamical frequency modulation mode. It includes the nanotube adhesive contribution to the frequency shift. Experimental data for single-wall and multi-wall carbon nanotubes compare well to the model predictions for different oscillation amplitudes. Three parameters can be extracted: the distance necessary to unstick the nanotube from the surface and two spring constants corresponding to tube compression and to the elastic force required to overcome the adhesion force

Quasi-static analysis of elastic behavior for some systems having higher fracture densities.

Energy Technology Data Exchange (ETDEWEB)

Berryman, J.G.; Aydin, A.

2009-10-15

Elastic behavior of geomechanical systems with interacting (but not intersecting) fractures is treated using generalizations of the Backus and the Schoenberg-Muir methods for analyzing layered systems whose layers are intrinsically anisotropic due to locally aligned fractures. By permitting the axis of symmetry of the locally anisotropic compliance matrix for individual layers to differ from that of the layering direction, we derive analytical formulas for interacting fractured regions with arbitrary orientations to each other. This procedure provides a systematic tool for studying how contiguous, but not yet intersecting, fractured domains interact, and provides a direct (though approximate) means of predicting when and how such interactions lead to more dramatic weakening effects and ultimately to failure of these complicated systems. The method permits decomposition of the system elastic behavior into specific eigenmodes that can all be analyzed, and provides a better understanding about which of these specific modes are expected to be most important to the evolving failure process.

Elastic properties of graphene: A pseudo-beam model with modified internal bending moment and its application

Science.gov (United States)

Xia, Z. M.; Wang, C. G.; Tan, H. F.

2018-04-01

A pseudo-beam model with modified internal bending moment is presented to predict elastic properties of graphene, including the Young's modulus and Poisson's ratio. In order to overcome a drawback in existing molecular structural mechanics models, which only account for pure bending (constant bending moment), the presented model accounts for linear bending moments deduced from the balance equations. Based on this pseudo-beam model, an analytical prediction is accomplished to predict the Young's modulus and Poisson's ratio of graphene based on the equation of the strain energies by using Castigliano second theorem. Then, the elastic properties of graphene are calculated compared with results available in literature, which verifies the feasibility of the pseudo-beam model. Finally, the pseudo-beam model is utilized to study the twisting wrinkling characteristics of annular graphene. Due to modifications of the internal bending moment, the wrinkling behaviors of graphene sheet are predicted accurately. The obtained results show that the pseudo-beam model has a good ability to predict the elastic properties of graphene accurately, especially the out-of-plane deformation behavior.

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

Science.gov (United States)

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

1994-11-01

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

Anisotropy of the Topopah Spring Member Tuff

International Nuclear Information System (INIS)

Martin, R.J. III; Boyd, P.J.; Haupt, R.W.; Price, R.H.

1992-07-01

Mechanical properties of the tuffaceous rocks within Yucca Mountain are needed for near and far-field modeling of the potential nuclear waste repository. If the mechanical properties are significantly anisotropic (i.e., direction-dependent), a more complex model is required. Relevant data from tuffs tested in earlier studies indicate that elastic and strength properties are anisotropic. This scoping study confirms the elastic anisotropy and concludes some tuffs are transversely isotropic. An approach for sampling and testing the rock to determine the magnitude of the anisotropy is proposed

Ab initio study of the elastic properties of sodium chloride at high pressure

International Nuclear Information System (INIS)

Liu Lei; Bi Yan; Xu Jian; Chen Xiangrong

2010-01-01

The equation of state and elastic properties for B1- and B2-NaCl up to 160 GPa have been studied by using the density functional simulation within the generalized gradient approximation (GGA). The calculated lattice constants of NaCl agree well with experimental values in a precision of 0.1% over the pressure range studied. It is found that the cell volume decreases 5.5% at the phase transition point. All three independent elastic stiffness coefficients, c 11 , c 12 and c 44 for B1- and B2-NaCl are evaluated by a calculated stress tensor which was generated by forcing small strain to the optimized unit cell. The calculated zero-pressure elastic moduli, wave velocities, and their initial pressure dependences of B1-NaCl are in excellent agreement with experiments. Systematic investigation on the elasticity of NaCl has been done through four parameters, the Zener anisotropy ratio (A Z ), the acoustic anisotropy factor (A a ), the Cauchy deviation (δ), and the normalized elastic constants (c ij '). With the pressure, the Zener anisotropy ratio A Z decreases in the B1-phase, but increases in the B2-phase and reaches 1 at about 174 GPa, it suggests that NaCl would become elastic isotropic at this pressure range. The acoustic anisotropy factor A a shows the similar pressure behavior as A Z . The Cauchy deviation (δ)) increases with pressures, it demonstrates that in the interatomic interaction, the many-body contribution becomes more important at higher pressures. A discussion on the normalized elastic constants is also presented.

Effect of AlF3 on the Density and Elastic Properties of Zinc Tellurite Glass Systems

Science.gov (United States)

Sidek, Haji Abdul Aziz; Rosmawati, Shaharuddin; Halimah, Mohamed Kamari; Matori, Khamirul Amin; Talib, Zainal Abidin

2012-01-01

This paper presents the results of the physical and elastic properties of the ternary zinc oxyfluoro tellurite glass system. Systematic series of glasses (AlF3)x(ZnO)y(TeO2)z with x = 0–19, y = 0–20 and z = 80, 85, 90 mol% were synthesized by the conventional rapid melt quenching technique. The composition dependence of the physical, mainly density and molar volume, and elastic properties is discussed in term of the AlF3 modifiers addition that are expected to produce quite substantial changes in their physical properties. The absence of any crystalline peaks in the X-ray diffraction (XRD) patterns of the present glass samples indicates the amorphous nature. The addition of AlF3 lowered the values of the densities in ternary oxyfluorotellurite glass systems. The longitudinal and transverse ultrasonic waves propagated in each glass sample were measured using a MBS8020 ultrasonic data acquisition system. All the velocity data were taken at 5 MHz frequency and room temperature. The longitudinal modulus (L), shear modulus (G), Young’s modulus (E), bulk modulus (K) and Poisson’s ratio (σ) are obtained from both velocities data and their respective density. Experimental data shows the density and elastic moduli of each AlF3-ZnO-TeO2 series are found strongly depend upon the glass composition. The addition of AlF3 modifiers into the zinc tellurite causes substantial changes in their density, molar volume as well as their elastic properties.

Growth on elastic silicone substrate elicits a partial myogenic response in periodontal ligament derived stem cells

Directory of Open Access Journals (Sweden)

Daniel Pelaez

2016-12-01

Full Text Available The processes of cellular differentiation and phenotypic maintenance can be influenced by stimuli from a variety of different factors. One commonly overlooked factor is the mechanical properties of the growth substrate in which stem cells are maintained or differentiated down various lineages. Here we explored the effect that growth on an elastic silicone substrate had on the myogenic expression and cytoskeletal morphology of periodontal ligament derived stem cells. Cells were grown on either collagen I coated tissue culture polystyrene plates or collagen I coated elastic silicone membranes for a period of 4 days without further induction from soluble factors in the culture media. Following the 4-day growth, gene expression and immunohistochemical analysis for key cardiomyogenic markers was performed along with a morphological assessment of cytoskeletal organization. Results show that cells grown on the elastic substrate significantly upregulate key markers associated with contractile activity in muscle tissues. Namely, the myosin light chain polypeptides 2 and 7, as well as the myosin heavy chain polypeptide 7 genes underwent a statistically significant upregulation in the cells grown on elastic silicone membranes. Similarly, the cells on the softer elastic substrate stained positive for both sarcomeric actin and cardiac troponin t proteins following just 4 days of growth on the softer material. Cytoskeletal analysis showed that substrate stiffness had a marked effect on the organization and distribution of filamentous actin fibers within the cell body. Growth on silicone membranes produced flatter and shorter cellular morphologies with filamentous actin fibers projecting anisotropically throughout the cell body. These results demonstrate how crucial the mechanical properties of the growth substrate of cells can be on the ultimate cellular phenotype. These observations highlight the need to further optimize differentiation protocols to enhance

Anisotropic properties of the enamel organic extracellular matrix.

Science.gov (United States)

do Espírito Santo, Alexandre R; Novaes, Pedro D; Line, Sérgio R P

2006-05-01

Enamel biosynthesis is initiated by the secretion, processing, and self-assembly of a complex mixture of proteins. This supramolecular ensemble controls the nucleation of the crystalline mineral phase. The detection of anisotropic properties by polarizing microscopy has been extensively used to detect macromolecular organizations in ordinary histological sections. The aim of this work was to study the birefringence of enamel organic matrix during the development of rat molar and incisor teeth. Incisor and molar teeth of rats were fixed in 2% paraformaldehyde/0.5% glutaraldehyde in 0.2 M phosphate-buffered saline (PBS), pH 7.2, and decalcified in 5% nitric acid/4% formaldehyde. After paraffin embedding, 5-microm-thick sections were obtained, treated with xylene, and hydrated. Form birefringence curves were obtained after measuring optical retardations in imbibing media, with different refractive indices. Our observations showed that enamel organic matrix of rat incisor and molar teeth is strongly birefringent, presenting an ordered supramolecular structure. The birefringence starts during the early secretion phase and disappears at the maturation phase. The analysis of enamel organic matrix birefringence may be used to detect the effects of genetic and environmental factors on the supramolecular orientation of enamel matrix and their effects on the structure of mature enamel.

Optimization of directional elastic energy propagation

DEFF Research Database (Denmark)

Andreassen, Erik; Chang, Hannah R.; Ruzzene, Massimo

2016-01-01

The aim of this paper is to demonstrate how topology optimization can be used to design a periodically perforated plate, in order to obtain a tailored anisotropic group velocity profile. The main method is demonstrated on both low and high frequency bending wave propagation in an aluminum plate......, but is general in the sense that it could be used to design periodic structures with frequency dependent group velocity profiles for any kind of elastic wave propagation. With the proposed method the resulting design is manufacturable. Measurements on an optimized design compare excellently with the numerical...

Plane-wave diffraction by periodic structures with artificial anisotropic dielectrics

International Nuclear Information System (INIS)

Kazerooni, Azadeh Semsar; Shahabadi, Mahmoud

2010-01-01

Periodic structures with artificial anisotropic dielectrics are studied. The artificial anisotropic dielectric material in this work is made of two alternating isotropic dielectric layers. By a proper choice of the dielectric constant of the layers, we can realize a uniaxial anisotropic medium with controllable anisotropy. The artificial anisotropic dielectric is then used in periodic structures. For these structures, the optical axis of the artificial dielectric is assumed to be parallel or perpendicular to the period of the structure. Diffraction of plane waves by these structures is analyzed by a fully vectorial rigorous matrix method based on a generalized transmission line (TL) formulation. The propagation constants and field distributions are computed and diffraction properties of such structures are studied to show that, by a proper choice of structural parameters, these periodic structures with artificial anisotropic dielectrics can be used as polarizers or polarizing mirrors

Elastic properties of amorphous boron suboxide based solids studied using ab initio molecular dynamics

International Nuclear Information System (INIS)

Music, Denis; Schneider, Jochen M

2008-01-01

We have studied the correlation between chemical composition, structure, chemical bonding and elastic properties of amorphous B 6 O based solids using ab initio molecular dynamics. These solids are of different chemical compositions, but the elasticity data appear to be a function of density. This is in agreement with previous experimental observations. As the density increases from 1.64 to 2.38 g cm -3 , the elastic modulus increases from 74 to 253 GPa. This may be understood by analyzing the cohesive energy and the chemical bonding of these compounds. The cohesive energy decreases from -7.051 to -7.584 eV/atom in the elastic modulus range studied. On the basis of the electron density distributions, Mulliken analysis and radial distribution functions, icosahedral bonding is the dominating bonding type. C and N promote cross-linking of icosahedra and thus increase the density, while H hinders the cross-linking by forming OH groups. The presence of icosahedral bonding is independent of the density

Elastic properties of Fe-bearing wadsleyite at high pressures

Science.gov (United States)

Mao, Z.; Jacobsen, S. D.; Jiang, F.; Smyth, J. R.; Holl, C. M.; Frost, D. J.; Duffy, T.

2009-12-01

The elastic properties of wadsleyite, thought to be the dominant phase from 410 to 520-km depth in the mantle, are essential to interpret the seismic images and profiles in the transition zone. Our previous experimental measurements showed that elasticity of Mg2SiO4 wadsleyite can be significantly reduced by hydration at high pressures (e.g. Mao et al., 2008a,b). These results provide the first constraints on the effect of hydration on the high-pressure sound velocities of wadsleyite, and are significantly important for identifying the potential hydrogen rich region in the Earth’s transition zone. Since mantle wadsleyite contains ~10 mol.% Fe, it is more important to investigate the combined effect of Fe and hydration on the elastic properties of wadsleyite. Here, we measured the single-crystal elasticity of wadsleyite with 1.0 wt.% H2O, Mg1.73Fe0.19SiO4H0.16, up to 12 GPa using Brillouin scattering. At ambient conditions, the aggregate bulk modulus, KS0, and shear modulus, G0, are 158.4(5) GPa and 99.2(3) GPa, respectively. Including the results of current and previous studies, we find that the elasticity of wadsleyite decreases linearly with Fe and H2O content according to relations (in GPa): KS0 = 171(3)-13.0(8)CH2O, G0 = 112(2)-8.8(3)CH2O-40(10)XFe, where CH2O is the concentration of hydrogen expressed as weight percent H2O, and XFe is the Fe molar fraction (XFe = Fe/(Mg+Fe)). Further high-pressure measurements showed that the presence of 1 wt.% H2O in Fe-bearing wadsleyite increases the pressure derivative of the shear modulus from 1.5(1) to 1.9(1). But Fe-bearing wadsleyite with this amount of H2O might have a similar pressure derivative of the bulk modulus (4.8(1)) similar to the corresponding anhydrous phase. Using our results, we computed the sound velocities of wadsleyite with 1 wt.% H2O up to 12 GPa at 300 K. Compared to Fe-bearing anhydrous wadsleyite, 1 wt.% H2O causes a 1.5(4)% reduction in the compressional velocity at 12 GPa, and a 1

Analysis of Crack Propagation Path on the Anisotropic Bi-Material Rock

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Chao-Shi Chen

2010-01-01

Full Text Available This paper presents a single-domain boundary element method (SDBEM for linear elastic fracture mechanics analysis in the 2D anisotropic bimaterial. In this formulation, the displacement integral equation is collocated on the uncracked boundary only, and the traction integral equation is collocated on one side of the crack surface only. The complete fundamental solution (Green's function for anisotropic bi-materials was also derived and implemented into the boundary integral formulation so the discretization along the interface can be avoided except for the interfacial crack part. A special crack-tip element was introduced to capture exactly the crack-tip behavior. A computer program with the FORTRAN code has been developed to effectively calculate the stress intensity factors, crack initiation angle, and propagation path of an anisotropic bi-material. This SDBEM program has been verified having a good accuracy with the previous researches. In addition, a rock of type (1/(2 disk specimen with a central crack was made to conduct the Brazilian test under diametrical loading. The result shows that the numerical analysis can predict relatively well the direction of crack initiation and the path of crack propagation.

Electronic, elastic, thermodynamic properties and structure disorder of γ-AlON solid solution from ab initio calculations

International Nuclear Information System (INIS)

Wang, Yuezhong; Lu, Tiecheng; Zhang, Rongshi; Jiang, Shengli; Qi, Jianqi; Wang, Ying; Chen, Qingyun; Miao, Naihua; He, Duanwei

2013-01-01

Highlights: ► We reassess the chemical bonding character of γ-AlON which shows strong ionicity. ► γ-AlON single-crystals exhibit highly elastic anisotropy. ► The thermodynamic properties are investigated in a wider temperature/pressure range. ► γ-AlON is an O/N partially disordered structure. - Abstract: Spinel aluminium oxynitride (γ-AlON), as a kind of transparent ceramic material expectable, is studied using the ab initio density functional method, in terms of electronic, elastic, thermodynamic properties and structure disorder. The results show that γ-AlON exhibits strong ionicity, as quantitatively expressed by (Al O 2.43+ ) 15 (Al T 2.41+ ) 8 (O 1.64- ) 27 (N 2.27- ) 5 from our reassessment of the ionic character. We summarize and speculate that the considered oxynitride single-crystals exhibit highly elastic anisotropy. The interpretation of the thermodynamic properties of γ-AlON according to quasi-harmonic Debye model confirm the available experiments and are extended to a wider temperature/pressure range. This material holds high elastic strength under extreme environments, where dB/dT absolute value is less than 0.03 GPa/K, independent of the pressure. Finally, we study the O/N structure disorder character of γ-AlON solid solution by investigating nine possible crystal structures. It is found that γ-AlON should be partially disordered, and in fact, the O/N ordering has a significant effect on the properties.

Evaluation of effective material properties of spiral wound gasket through homogenization

International Nuclear Information System (INIS)

Mathan, G.; Siva Prasad, N.

2010-01-01

In this paper, a homogenization methodology is proposed to determine the material properties of spiral wound gaskets (SWGs) using finite element analysis through representative volume elements (RVE) of the gaskets. The constituents of this RVE are described by elasto-plastic material properties. The RVE are subjected to six load cases and the volume averaged responses are analyzed simultaneously to predict the anisotropic properties. The mechanical behaviour is simplified to an orthotropic material model with Hill's plasticity model and the properties are verified with micro-mechanical simulation and experimental results available in the literature. Reasonable agreement is obtained between the results. Formulae for elastic properties are also derived by a simplified analytical method based on lamination theory and compared with those obtained from homogenization.

Evaluation of effective material properties of spiral wound gasket through homogenization