Anisotropic elastic properties of the Ca–Pb compounds

Duan, Yonghua; Sun, Yuan; Peng, Ming; Zhou, Su

doi:10.1016/j.jallcom.2014.01.108

Cited by 146 publications

(55 citation statements)

References 29 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For an isotropic crystal, all three factors must be one, while any value smaller or greater than one is a measure of degree of elastic anisotropy possessed by the crystal. Our results thus indicate a very large shear anisotropy on the (1 0 0) and (0 0 1) planes of FeB and Fe 3 B due to the anomalously high C 44 and C 66 relatively to C 55 . Thus, for Fe 2 B the large shear anisotropy is on the (0 0 1) plane due to high C 44 compared to C 66 .…”

Section: Elastic Anisotropymentioning

confidence: 59%

“…As for Fe 2 B in the tetragonal structure, there are six independent elastic constants, C 11 , C 12 , C 13 , C 33 , C 44 , C 66 , because C 22 = C 11 , C 23 = C 13 , C 44 = C 55 as a result of the crystal symmetry. The single crystal elastic coefficients (C ij ) satisfy the stability criteria, which leads to the following restrictions on the elastic coefficients under isotropic pressure: 1, 2, 3, .…”

Section: Elastic Properties Under Pressurementioning

confidence: 99%

“…For an orthorhombic system [44] In the equations above, S ij represents the compliance matrix and l 1 , l 2 and l 3 are the direction cosines, which are given as l 1 = sinθ cosϕ, l 2 = sinθ sinϕ and l 3 = cosϕ in the spherical coordinates. The surface constructions of bulk and Young's modulus of FeB, Fe 2 B and Fe 3 B compounds are shown in Fig.…”

Section: Elastic Anisotropymentioning

confidence: 99%

See 2 more Smart Citations

Anisotropic elastic properties of FexB (x = 1, 2, 3) under pressure. First-principles study

Gueddouh

Bentria

Bourourou³

et al. 2016

Materials Science-Poland

View full text Add to dashboard Cite

Spin-polarization (SP) and pressure effects have been used to better clarify and understand anisotropic elastic properties of Fe-B intermetallic compounds using the first-principles calculation with generalized gradient approximation (GGA) within the plane-wave pseudopotential density functional theory. Elastic properties, including bulk, shear and Young's moduli as well as Poisson ratio were obtained by Voigt-Reuss-Hill approximation. All studied Fe-B compounds were mechanically stable. The brittle and ductile properties were discussed using bulk to shear moduli ratio (B/G) of the studied structures in the pressure range of 0 GPa to 90 GPa in order to predict the critical pressure of phase transition from ferromagnetic (FM) to nonmagnetic (NM) state. Mechanical anisotropy in both cases was discussed by calculating different anisotropic indexes and factors. We have plotted three-dimensional (3D) surfaces and planar contours of the bulk and Young's moduli of Fe x B (x = 1, 2, 3) compounds for some crystallographic planes, (1 0 0), (0 1 0) and (0 0 1), to reveal their elastic anisotropy. On the basis of anisotropic elastic properties the easy and hard axes of magnetization for the three studied compounds were predicted.

show abstract

Section: Elastic Anisotropymentioning

confidence: 59%

Section: Elastic Properties Under Pressurementioning

confidence: 99%

Section: Elastic Anisotropymentioning

confidence: 99%

See 1 more Smart Citation

Anisotropic elastic properties of FexB (x = 1, 2, 3) under pressure. First-principles study

Gueddouh

Bentria

Bourourou³

et al. 2016

Materials Science-Poland

View full text Add to dashboard Cite

show abstract

“…With respect to other directions, the sound propagating modes have included the quasi-transverse or quasi-longitudinal waves. Therefore, the sound velocities can be derived from elastic constants using following expressions [53]:…”

Section: Anisotropy Of Acoustic Velocities and Debye Temperaturementioning

confidence: 99%

First-Principles Investigation of Structural, Electronic and Elastic Properties of HfX (X = Os, Ir and Pt) Compounds

Xia

Wang

et al. 2017

Metals

View full text Add to dashboard Cite

Abstract:The structural, electronic and elastic properties of B2 structure Hafnium compounds were investigated by means of first-principles calculations based on the density functional theory within generalized gradient approximation (GGA) and local density approximation (LDA) methods. Both GGA and LDA methods can make acceptable optimized lattice parameters in comparison with experimental parameters. Therefore, both GGA and LDA methods are used to predict the electronic and elastic properties of B2 HfX (X = Os, Ir and Pt) compounds. Initially, the calculated formation enthalpies have confirmed the order of thermodynamic stability as HfPt > HfIr > HfOs. Secondly, the electronic structures are analyzed to explain the bonding characters and stabilities in these compounds. Furthermore, the calculated elastic properties and elastic anisotropic behaviors are ordered and analyzed in these compounds. The calculated bulk moduli are in the reduced order of HfOs > HfIr > HfPt, which has exhibited the linear relationship with electron densities. Finally, the anisotropy of acoustic velocities, Debye temperatures and thermal conductivities are obtained and discussed.

show abstract

“…Elastic anisotropy analysis is of great significance in understanding the mechanisms of materials microcracks, phase transformations, elastic instability and durability [40]. Hence, a proper description of such an anisotropic behavior is important in engineering science as well as in crystal physics.…”

Section: Elastic Anisotropymentioning

confidence: 99%

Theoretical Calculations for Elastic and Thermodynamic Properties of NbN₂ under High Pressure

et al. 2017

View full text Add to dashboard Cite

The structural and elastic properties of NbN2 at high pressures were investigated through the first-principles calculation. Results indicate that NbN2 is a potential hard material. NbN2 meets mechanical stability criteria and possesses ductility within the pressure of 100 GPa. The elastic anisotropy under high pressure was achieved by the elastic anisotropy factors, which reduce with increasing pressure. Using the quasi-harmonic Debye model, we also investigated the thermodynamic properties of NbN2.

show abstract

Anisotropic elastic properties of the Ca–Pb compounds

Cited by 146 publications

References 29 publications

Anisotropic elastic properties of FexB (x = 1, 2, 3) under pressure. First-principles study

Anisotropic elastic properties of FexB (x = 1, 2, 3) under pressure. First-principles study

First-Principles Investigation of Structural, Electronic and Elastic Properties of HfX (X = Os, Ir and Pt) Compounds

Theoretical Calculations for Elastic and Thermodynamic Properties of NbN₂ under High Pressure

Contact Info

Product

Resources

About

Anisotropic elastic properties of the Ca–Pb compounds

Cited by 146 publications

References 29 publications

Anisotropic elastic properties of FexB (x = 1, 2, 3) under pressure. First-principles study

Anisotropic elastic properties of FexB (x = 1, 2, 3) under pressure. First-principles study

First-Principles Investigation of Structural, Electronic and Elastic Properties of HfX (X = Os, Ir and Pt) Compounds

Theoretical Calculations for Elastic and Thermodynamic Properties of NbN2 under High Pressure

Contact Info

Product

Resources

About

Theoretical Calculations for Elastic and Thermodynamic Properties of NbN₂ under High Pressure