The Effect of High Hydrostatic Pressure on the Mechanical Properties of the Binary Alloys of the System AuAg3, AgAu3 and Their Components Using Computer Simulation

Desta, Okbamichael; Bykova, M. I.; Timoshenko, Yu. K.

doi:10.20967/jcscm.2021.04.001

Cited by 2 publications

(12 citation statements)

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“…Because of its simplicity and accuracy in describing the energy of atomic interactions in metals and alloys, the Sutton-Chen mathematical model was chosen for this study. The total potential energy of interatomic interactions in the Sutton-Chen model is expressed as follows [6,7]:…”

Section: Mathematical Model and Methods Of Simulationmentioning

confidence: 99%

“…The metals Al [11] and Cu [9] have face centered cubic (fcc) crystal lattice structure while the alloys CuAl3 and AlCu3 have L12 structure [12]. The figure for the L12 structure is given in the article [7]. For the metals and alloys utilized in the simulation, the unit cell is employed to generate atomic coordinates for the initial configuration of crystal lattice structure.…”

Section: Mathematical Model and Methods Of Simulationmentioning

confidence: 99%

“…For isotropic polycrystalline materials, the bulk modulus B and shear modulus G can be estimated from elastic constants Cij [15]. The formulas for estimation of bulk and shear moduli due to the Voigt V and Ruess R approximations are described in the article by Desta and his co-authors [7]. Young's modulus E is computed from the values of the bulk and shear moduli and the formula is given [7].…”

Section: Mechanical Properties Of Metals and Alloysmentioning

confidence: 99%

“…The formulas for estimation of bulk and shear moduli due to the Voigt V and Ruess R approximations are described in the article by Desta and his co-authors [7]. Young's modulus E is computed from the values of the bulk and shear moduli and the formula is given [7].…”

Section: Mechanical Properties Of Metals and Alloysmentioning

confidence: 99%

“…The papers provide adequate information on basic formulas for estimating hardness for interested readers [16,17]. To compute intrinsic hardness of the metals and their alloys we have used empirical relationship that represents hardness as a non-linear function of bulk and shear moduli described in the article by Desta and his co-authors [7].…”

Section: Mechanical Properties Of Metals and Alloysmentioning

confidence: 99%

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The Study of Effect of High Hydrostatic Pressure on the Mechanical Properties of Al-Cu Binary Alloysa

Desta

Bykova

Timoshenko

2022

Materials of the International Scientific and Methodological Seminar "PHYSICAL BASIS OF MODERN SCIENCE-INTENSIVE TECHNOLOGIES"

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In this paper, computer simulations of influence of high hydrostatic pressure on the mechanical properties such as elastic constants and moduli, intrinsic hardness and acoustic velocities of Al, Cu, CuAl3 and AlCu3 are provided. To simulate the energy of interaction in metals and alloys, the Sutton-Chen inter-atomic potential was used. The simulation was run using the geometry optimization method with the General Utility Lattice Program (GULP) 5.1. With increment of hydrostatic pressure, the values of mechanical characteristics increased sharply. The highest percentage of increase in the in the mechanical properties was shown in the pressure step from 0 to 100 GPa. On the pressure range [0, 100], the highest percentage of increase was shown on elastic constant C44 while the lowest percentage of increase was on the transversal acoustic velocity for aluminuim. As the amount of aluminium in the alloys increases, the longitudinal acoustic velocity reduced, while the elastic constants and moduli, as well as intrinsic hardness, increased.

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Section: Mathematical Model and Methods Of Simulationmentioning

confidence: 99%

Section: Mathematical Model and Methods Of Simulationmentioning

confidence: 99%

Section: Mechanical Properties Of Metals and Alloysmentioning

confidence: 99%

Section: Mechanical Properties Of Metals and Alloysmentioning

confidence: 99%

Section: Mechanical Properties Of Metals and Alloysmentioning

confidence: 99%

See 3 more Smart Citations

The Study of Effect of High Hydrostatic Pressure on the Mechanical Properties of Al-Cu Binary Alloysa

Desta

Bykova

Timoshenko

2022

Materials of the International Scientific and Methodological Seminar "PHYSICAL BASIS OF MODERN SCIENCE-INTENSIVE TECHNOLOGIES"

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The Geometry Optimization Calculations on Mechanical Properties of L12 Structure Al3x and Alx3-Type (X = Au, Ag, Cu) Intermetallic Compounds

Desta

Timoshenko

2022

Materials of the International Scientific and Methodological Seminar "PHYSICAL BASIS OF MODERN SCIENCE-INTENSIVE TECHNOLOGIES"

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In this work, computer simulation of mechanical properties such as elastic constants and moduli as well as intrinsic hardness of Al , Al3X and AlX3 having crystal lattice structure of the type L12 is presented. To describe the energy of interaction in metals and alloys, the Sutton-Chen semi-empirical inter-atomic potential was utilized. The simulation was run using the geometry optimization method with the General Utility Lattice Program (GULP) 5.1. From the six different alloys studied, the alloy with highest intrinsic hardness isAlAg3 while with the lowest value for CuAl3. The findings show that Al -based alloys have values of mechanical characteristics that are higher than the pure aluminium metal. The values of mechanical characteristics of the alloys are indirectly proportional to the percentage of aluminium in a given alloy system. The work further confirms that the percentage of aluminium in the alloy systems have significant impact on the mechanical properties.

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The Effect of High Hydrostatic Pressure on the Mechanical Properties of the Binary Alloys of the System AuAg3, AgAu3 and Their Components Using Computer Simulation

Cited by 2 publications

References 0 publications

The Study of Effect of High Hydrostatic Pressure on the Mechanical Properties of Al-Cu Binary Alloysa

The Study of Effect of High Hydrostatic Pressure on the Mechanical Properties of Al-Cu Binary Alloysa

The Geometry Optimization Calculations on Mechanical Properties of L12 Structure Al3x and Alx3-Type (X = Au, Ag, Cu) Intermetallic Compounds

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