Single crystalline elastic constants of C15-type MAl2 intermetallic compounds

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

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Elastic Constants of Single Crystalline Mercury

Journal of Applied Physics ◽

10.1063/1.1659393 ◽

1970 ◽

Vol 41 (7) ◽

pp. 3189-3190 ◽

Cited By ~ 7

Author(s):

D. Detje ◽

G. L. Salinger ◽

W. C. Fullin

Keyword(s):

Elastic Constants ◽

Single Crystalline

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Single crystalline elastic constants of MgZn2

Scripta Metallurgica ◽

10.1016/0036-9748(69)90174-4 ◽

1969 ◽

Vol 3 (1) ◽

pp. 33-35 ◽

Cited By ~ 20

Author(s):

G.W Shannette ◽

J.F Smith

Keyword(s):

Elastic Constants ◽

Single Crystalline

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

Materials ◽

10.3390/ma11102010 ◽

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.

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

International Journal of Computational Materials Science and Engineering ◽

10.1142/s2047684115500207 ◽

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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High Temperature Deformation of Single Crystalline Cr3Si (A15) Intermetallic Compound

MRS Proceedings ◽

10.1557/proc-213-745 ◽

1990 ◽

Vol 213 ◽

Cited By ~ 4

Author(s):

C. Steve Chang ◽

D. P. Pope

Keyword(s):

High Temperature ◽

Intermetallic Compound ◽

Single Crystals ◽

Intermetallic Compounds ◽

High Temperature Deformation ◽

Temperature Deformation ◽

Slip Systems ◽

Compression Tests ◽

Single Crystalline ◽

Slip Traces

AbstractHigh temperature compression tests were performed on Cr 3Si single crystalline and poly crystalline samples. Slip systems were determined to be of the {001}<010> type based on an analysis of slip traces and Laue spots. Single crystals show significant compressive ductility at temperatures above 0.7Tm. The implication of cube slip on the ductility of A15-type intermetallic compounds is discussed.

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Elastic constants of single crystalline β-Ti70Nb30

Scripta Materialia ◽

10.1016/j.scriptamat.2011.10.039 ◽

2012 ◽

Vol 66 (3-4) ◽

pp. 198-201 ◽

Cited By ~ 33

Author(s):

R. Hermann ◽

H. Hermann ◽

M. Calin ◽

B. Büchner ◽

J. Eckert

Keyword(s):

Elastic Constants ◽

Single Crystalline

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Plane Strain Compression of Single Crystalline Ni3Al-Base Intermetallic Compounds

Materials Science Forum ◽

10.4028/www.scientific.net/msf.495-497.767 ◽

2005 ◽

Vol 495-497 ◽

pp. 767-774

Author(s):

S.H. Song ◽

Kyosuke Kishida ◽

Masahiko Demura ◽

Myung Hoon Oh ◽

Dang Moon Wee ◽

...

Keyword(s):

Intermetallic Compounds ◽

Plane Strain ◽

Deformation Behavior ◽

Single Phase ◽

Flow Behavior ◽

Plane Strain Compression ◽

Compression Tests ◽

Two Phase ◽

Single Crystalline ◽

The Difference

Anisotropic deformation behavior of single crystalline Ni3Al-base intermetallic compounds, including Ni3Al single-phase and Ni/Ni3Al two-phase alloys, was systematically studied by the plane strain compression tests. Plastic flow behavior of single phase Ni3Al is strongly dependent on the initial crystal orientation and the flow stress becomes higher with increasing the numbers of the operative slip planes. In the case of the Ni/Ni3Al two phase alloys, the flow behavior is found to be divided into two stages. Such flow behavior is considered to be closely related to the difference in the deformation behavior between Ni solid solution and Ni3Al precipitates.

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