Effect of Cd Doping on Mechanical Properties of SrCoO3

2014 ◽  
Vol 975 ◽  
pp. 163-167 ◽  
Author(s):  
N.K. Gaur ◽  
Rasna Thakur ◽  
Rajesh K. Thakur ◽  
A.K. Nigam
Keyword(s):  
Mechanical Properties ◽  
Thermal Properties ◽  
Shear Modulus ◽  
Bulk Modulus ◽  
Elastic Properties ◽  
Elastic Constants ◽  
Anisotropy Parameter ◽  
Cd Doping ◽  
First Time ◽  
Rigid Ion Model

We have investigated the elastic and thermal properties of Sr1-xCdxCoO3 (0=x=0.1) probably for the first time by means of modified rigid ion model (MRIM). In this paper, we present the second order elastic constants (SOECs) and other elastic properties like Bulk modulus (B), Young's modulus (Y), Shear modulus (G), ̠̹̿̓̓̿̾˷̓˰̱̹͂̈́̿˰˸σ˹˼˰̵̜̱̽˷̓˰̵̵̱̱̀͂̽̈́͂˰˸m, l), transverse, longitudinal, ˰̵̷̵̱̱͆͂˰̵͇̱͆˰̵̼̳̹͉͆̿̈́˰˰˸υt, υl˼˰υm) and Anisotropy parameter (A). Here, the SOECs for Sr1-xCdxCoO3 compounds are positive and satisfy the generalized criteria for mechanically stable crystals: (C11-C12) > 0, (C11+2C12) > 0 and C44 > 0 which confirm that Sr1-xCdxCoO3 (0=x=0.1) belong to metallically bonding materials.

scholarly journals Mechanical and Thermal Conductivity Properties of Enhanced Phases in Mg-Zn-Zr System from First Principles

Materials ◽  
2018 ◽  
Vol 11 (10) ◽  
pp. 2010
Author(s):  
Shuo Wang ◽  
Yuhong Zhao ◽  
Huijun Guo ◽  
Feifei Lan ◽  
Hua Hou
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Shear Modulus ◽  
Bulk Modulus ◽  
Intermetallic Compounds ◽  
Elastic Constants ◽  
First Principles ◽  
Strengthening Phases ◽  
Zr Alloy ◽  
Zr Alloys

In this paper, the mechanical properties and minimum thermal conductivity of ZnZr, Zn2Zr, Zn2Zr3, and MgZn2 are calculated from first principles. The results show that the considered Zn-Zr intermetallic compounds are effective strengthening phases compared to MgZn2 based on the calculated elastic constants and polycrystalline bulk modulus B, shear modulus G, and Young’s modulus E. Meanwhile, the strong Zn-Zr ionic bondings in ZnZr, Zn2Zr, and Zn2Zr3 alloys lead to the characteristics of a higher modulus but lower ductility than the MgZn2 alloy. The minimum thermal conductivity of ZnZr, Zn2Zr, Zn2Zr3, and MgZn2 is 0.48, 0.67, 0.68, and 0.49 W m−1 K−1, respectively, indicating that the thermal conductivity of the Mg-Zn-Zr alloy could be improved as the precipitation of Zn atoms from the α-Mg matrix to form the considered Zn-Zr binary alloys. Based on the analysis of the directional dependence of the minimum thermal conductivity, the minimum thermal conductivity in the direction of [110] can be identified as a crucial short limit for the considered Zn-Zr intermetallic compounds in Mg-Zn-Zr alloys.

Temperature Dependences of the Elastic Constants of Precipitation-Hardened Aluminum Alloys 2014 and 2219

1977 ◽  
Vol 99 (2) ◽  
pp. 181-184 ◽  
Author(s):  
D. T. Read ◽  
H. M. Ledbetter
Keyword(s):  
Aluminum Alloys ◽  
Shear Modulus ◽  
Bulk Modulus ◽  
Temperature Dependence ◽  
Elastic Properties ◽  
Elastic Constants ◽  
Ultrasonic Pulse ◽  
Young’S Moduli ◽  
Temperature Dependences ◽  
Sound Velocities

Elastic properties of precipitation-hardened aluminum alloys 2014 and 2219 were studied between 4 and 300 K using ultrasonic pulse techniques. Both the longitudinal and transverse sound velocities were measured. Also reported are the Young’s modulus, shear modulus, bulk modulus, and Poisson’s ratio. For both alloys, the Young’s moduli are about ten percent higher than for unalloyed aluminum, and they increase about ten percent on cooling from 300 to 4 K. All the elastic constants show normal temperature dependence.

First-Principles Calculations of Elastic Properties of HoBi and ErBi

2013 ◽  
Vol 664 ◽  
pp. 672-676
Author(s):  
De Ming Han ◽  
Gang Zhang ◽  
Li Hui Zhao
Keyword(s):  
Shear Modulus ◽  
Physical Properties ◽  
Bulk Modulus ◽  
Elastic Properties ◽  
Lattice Constant ◽  
Elastic Constants ◽  
First Principles ◽  
Energy Band ◽  
First Principles Calculations ◽  
Future Work

We present first-principles investigations on the elastic properties of XBi (X=Ho, Er) compounds. Basic physical properties, such as lattice constant, elastic constants (Cij), isotropic shear modulus (G), bulk modulus (B), Young’s modulus (Y), Poisson’s ratio (υ), and Anisotropy factor (A) are calculated. The calculated energy band structures show that the two compounds possess semi-metallic character. We hope that these results would be useful for future work on two compounds.

Physical and Mechanical Properties of Co3(Al,W) with the L12 Structure in Single and Polycrystalline Forms

2011 ◽  
Vol 465 ◽  
pp. 9-14 ◽  
Author(s):  
Haruyuki Inui ◽  
Takashi Oohashi ◽  
Norihiko L. Okamoto ◽  
Kyosuke Kishida ◽  
Katsushi Tanaka
Keyword(s):  
Mechanical Properties ◽  
Shear Modulus ◽  
Bulk Modulus ◽  
Single Crystal ◽  
Elastic Constants ◽  
Tensile Elongation ◽  
Physical And Mechanical Properties ◽  
Helium Temperature ◽  
Cauchy Pressure ◽  
L12 Structure

The physical and mechanical properties of Co3(Al,W) with the L12 structure have been investigated both in single and polycrystalline forms. The values of all the three independent single-crystal elastic constants and polycrystalline elastic constants of Co3(Al,W) experimentally determined by resonance ultrasound spectroscopy at liquid helium temperature are 15~25% larger than those of Ni3(Al,Ta) but are considerably smaller than those previously calculated. When judged from the values of Poisson’s ratio, Cauchy pressure and Gh (shear modulus)/Bh (bulk modulus), the ductility of Co3(Al,W) is expected to be sufficiently high. Indeed, the value of tensile elongation obtained in air is as large as 28 %, which is far larger than that obtained in Ni3Al polycrystals under similar conditions.

scholarly journals Thermodynamic Properties of La1-xSmxCoO3

2014 ◽  
Vol 2014 ◽  
pp. 1-5
Author(s):  
Rasna Thakur ◽  
N. K. Gaur
Keyword(s):  
Experimental Data ◽  
Thermal Expansion ◽  
Thermal Properties ◽  
Bulk Modulus ◽  
Specific Heat ◽  
Specific Heats ◽  
Lattice Specific Heat ◽  
Lattice Distortions ◽  
First Time ◽  
Rigid Ion Model

We have investigated the bulk modulus and thermal properties of La1-xSmxCoO3 (0≤x≤0.2) at temperatures 1 K≤T≤300 K probably for the first time by incorporating the effect of lattice distortions using the modified rigid ion model (MRIM). The calculated specific heat, thermal expansion, bulk modulus, and other thermal properties reproduce well with the available experimental data, implying that MRIM represents properly the nature of the pure and doped cobaltate. The specific heats are found to increase with temperature and decrease with concentration (x) for the present. The increase in Debye temperature (θD) indicates an anomalous softening of the lattice specific heat because increase in T3-term in the specific heat occurs with the decrease of concentration (x).

Lattice dynamical and elastic properties of BaFX (X = Cl, Br and I): Matlockite structure compounds

2019 ◽  
Vol 33 (20) ◽  
pp. 1950221 ◽  
Author(s):  
A. K. Kushwaha ◽  
S. Akbudak ◽  
A. C. Yadav ◽  
Ş. Uğur ◽  
G. Uğur
Keyword(s):  
Shear Modulus ◽  
Bulk Modulus ◽  
Young’S Modulus ◽  
Elastic Constants ◽  
Phonon Mode ◽  
Young's Modulus ◽  
Nearest Neighbors ◽  
Crystallographic Direction ◽  
Theoretical Results ◽  
Rigid Ion Model

In this study, an eleven-parameter rigid-ion model (RIM) is proposed for BaFX (X = Cl, Br and I) matlockite structure compounds. The interatomic interactions up to fourth nearest neighbors for the studied compounds are calculated. The zone-center raman and infrared phonon mode frequencies, elastic constants, bulk modulus B, shear modulus G, Young’s modulus E, Poisson’s coefficient, Debye temperature and sound velocity along [100], [110] and [001] directions have been calculated. It is observed that the studied BaFCl, BaFBr and BaFI compounds are stiffer in [100] direction than [001] crystallographic direction and the bulk modulus, shear modulus and Young’s modulus of the studied compounds decrease in the order of BaFCl [Formula: see text] BaFBr [Formula: see text] BaFI. The obtained results are compared with the theoretical and experimental results. It is observed that the obtained results agree very well with the experimental and theoretical results available in the literature.

First-Principles Study of the Mechanical Properties of ScAl Microalloyed by 4d-Transition Metals

2014 ◽  
Vol 852 ◽  
pp. 198-202
Author(s):  
Shuo Huang ◽  
Chuan Hui Zhang ◽  
Rui Zi Li ◽  
Jing Sun ◽  
Jiang Shen
Keyword(s):  
Mechanical Properties ◽  
Transition Metals ◽  
Shear Modulus ◽  
Bulk Modulus ◽  
Elastic Constants ◽  
First Principles ◽  
First Principles Calculations ◽  
Cauchy Pressure ◽  
Theoretical Results ◽  
Elastic Coefficients

The structural and elastic properties of B2 ScAl doped with Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag and Cd elements are studied by using first-principles calculations. The calculated elastic coefficients of pure ScAl are consistent with other theoretical results. The results of elastic constants indicate that all the ScAl-based alloys discussed are mechanically stable. The bulk modulusB, shear modulusG, Youngs modulusY, Pugh ratioB/Gand Cauchy pressure (C12-C44) are investigated. It is found that the addition of Ru that prefers Al site in ScAl can increase the stiffness of ScAl and improve its ductility.

Two Ultrasonic Techniques to Evaluate Bone Remodeling About Femoral Prostheses

1987 ◽  
Vol 110 ◽  
Author(s):  
Mark C. Zimmerman ◽  
Alain Meunier ◽  
Pascal Christel ◽  
Laurent Sedel ◽  
J. Lawrence Katz
Keyword(s):  
Mechanical Properties ◽  
Shear Modulus ◽  
Bulk Modulus ◽  
Bone Remodeling ◽  
Elastic Constants ◽  
Transversely Isotropic ◽  
Calcified Tissue ◽  
Ultrasonic Techniques ◽  
Anisotropic Elastic ◽  
Longitudinal Modulus

Ultrasonic techniques have been used extensively to measure the anisotropic elastic properties of calcified tissue [1–4]. Yoon and Katz [3] have derived the equations relating the elastic constants to the technical moduli: Young's modulus, shear modulus, and the bulk modulus. In order to make these calculations they assumed that bone was transversely isotropic (hexagonally symmetric). Abendschein and Hyatt [1] demonstrated that there was a good correlation between the longitudinal modulus (E3) of bone experimentally measured with ultrasound and mechanical techniques. Some investigators have even used these techniques to determine the different mechanical properties of pathological bone (osteopetrotic, osteoporotic) [4].

scholarly journals Generalization of intrinsic ductile-to-brittle criteria by Pugh and Pettifor for materials with a cubic crystal structure

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
O. N. Senkov ◽  
D. B. Miracle
Keyword(s):  
Crystal Structure ◽  
Shear Modulus ◽  
Bulk Modulus ◽  
Single Crystal ◽  
Elastic Constants ◽  
Mechanical Analysis ◽  
Quantum Mechanical ◽  
Modulus Ratio ◽  
Cubic Crystal ◽  
The Difference

AbstractTwo classical criteria, by Pugh and Pettifor, have been widely used by metallurgists to predict whether a material will be brittle or ductile. A phenomenological correlation by Pugh between metal brittleness and its shear modulus to bulk modulus ratio was established more than 60 years ago. Nearly four decades later Pettifor conducted a quantum mechanical analysis of bond hybridization in a series of intermetallics and derived a separate ductility criterion based on the difference between two single-crystal elastic constants, C12–C44. In this paper, we discover the link between these two criteria and show that they are identical for materials with cubic crystal structures.

Structural, electronic and elastic properties of the B2-ScM (M =Au, Hg and Tl) intermetallic compounds: Ab initio calculations

2015 ◽  
Vol 04 (04) ◽  
pp. 1550020
Author(s):  
Ahmad A. Mousa ◽  
Jamil M. Khalifeh
Keyword(s):  
Mechanical Properties ◽  
Bulk Modulus ◽  
Intermetallic Compounds ◽  
Elastic Constants ◽  
Density Functional ◽  
Electronic Band Structure ◽  
Local Density ◽  
Full Potential ◽  
Generalized Gradient ◽  
Electronic Band

Structural, electronic, elastic and mechanical properties of ScM (M[Formula: see text][Formula: see text][Formula: see text]Au, Hg and Tl) intermetallic compounds are studied using the full potential-linearized augmented plane wave (FP-LAPW) method based on the density functional theory (DFT), within the generalized gradient approximation (GGA) and the local density approximation (LDA) to the exchange-correlation approximation energy as implemented in the Wien2k code. The ground state properties including lattice parameters, bulk modulus and elastic constants were all computed and compared with the available previous theoretical and experimental results. The lattice constant was found to increase in contrast to the bulk modulus which was found to decrease with every substitution of the cation (M) starting from Au till Tl in ScM. Both the electronic band structure and density-of-states (DOS) calculations show that these compounds possess metallic properties. The calculated elastic constants ([Formula: see text], [Formula: see text] and [Formula: see text] confirmed the elastic stability of the ScM compounds in the B2-phase. The mechanical properties and ductile behaviors of these compounds are also predicted based on the calculated elastic constants.

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