Pressure effect on elastic constants of some transition metals

Louail, L.; Maouche, D.; Roumili, A.; Hachemi, A.

doi:10.1016/j.matchemphys.2004.10.040

Cited by 12 publications

(7 citation statements)

References 25 publications

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“…In addition, MD simulations can be another approach to calculate the mechanical properties at the high temperature and pressures. The theoretical pressure-volume relations for monoatomic metals have been studied with different methods [5,20,21]. The calculated pressure versus fractional volume of Cu, Ag and Au are shown in Fig.…”

Section: Resultsmentioning

confidence: 99%

“…There have been fewer calculations of the complete set of elastic constants over a wide pressure range, although some studies have been done [3][4][5]. The elastic constants under pressure (from 0 up to 1000 GPa) of Pt, Pd and Ni, using an ab initio method [5], have been calculated very recently, and provided the foundation of the present work.…”

Section: Introductionmentioning

confidence: 99%

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The effect of pressure on the elastic constants of Cu, Ag and Au: a molecular dynamics study

et al. 2006

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This paper describes the effect of pressure on some the mechanical properties of transition metals Cu, Ag, and Au, such as elastic constants and bulk modulus. Using molecular dynamics (MD) simulation, the present study was carried out using the modified many-body Morse potential function expression in the framework of the Embedded Atom Method (EAM). The effect of pressure on equilibrium volume, elastic constants, and bulk modulus were determined, and found to be in agreement with other theoretical calculations and experimental data.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

The effect of pressure on the elastic constants of Cu, Ag and Au: a molecular dynamics study

et al. 2006

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“…The MD simulations are one of the powerful tools used to determine the dynamic properties of materials at atomic scale. The MD simulations has been widely used to study the thermodynamic and structural properties of matter such as intermetallic alloys, polymers and nanostructures [18][19][20][21]. In MD simulation, the orbits in the phase space of the particles are determined by numerical integration of the Newton' equations.…”

Section: Introductionmentioning

confidence: 99%

The Thermodynamic and Lattice Vibrational Properties of CuPd Alloy Under Hydrostatic Pressure

Kazanç¹

2019

Anadolu University Journal of Science and Technology-a Applied Sciences and Engineering

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In this paper, the effects of hydrostatic pressure on the thermodynamic and vibrational properties such as bulk modulus, second order elastic constants, acoustic phonon frequencies, density of state (DOS) and Grüneisen parameters (γ) on Cu-%20Pd alloys was examined by using the molecular dynamics (MD) simulation. Interaction forces between atoms in the model system were calculated by Quantum Sutton-Chen (Q-SC) potential energy function. The simulation results obtained from this study were compared with the experimental and theoretical results in the literature.

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“…The bulk elasticity moduli of metals in general depend on external stresses [1]. This is obvious from the nonlinear dependence observed at average pres sures not exceeding the yield strength of the material.…”

Section: Introductionmentioning

confidence: 99%

“…Nevertheless, a number of studies have attempted to extend the scope of ESMFDCM application, and its use to describe phase transitions of the first and sec ond orders in particular [1][2][3]. To describe a PT, we must divide a discrete set of experimentally deter mined values of υ(σ) into groups, each of which is associated with one phase of the crystal.…”

Section: Introductionmentioning

confidence: 99%

Studying equilibrium values of moduli of elasticity, using models of the mechanics of finite deformations of a continuous medium

Naskalova

Gufan

Klimova

2014

Bull. Russ. Acad. Sci. Phys.

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The physical content of an equation of state in the form of σ = σ(υ) is discussed as it applies to the theory of the elastic properties of crystals. Here, σ is pressure and υ is a change in the volume of the crystal under the effect of pressure. We assume that the energy of a deformed state is determined using an elastic modulus no higher than the third order. The forms of the analytical dependences of σ = σ(υ) for the eight most popular equations of state in the mechanics of finite deformations of a continuous medium then coin cide, and with the same equation of the state predicted by the Mott model. As an example, differences between the values of the elastic moduli of Cu and Al, calculated using different equations of state for the mechanics of finite deformations of continuous media in the Mott model, are discussed.

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Pressure effect on elastic constants of some transition metals

Cited by 12 publications

References 25 publications

The effect of pressure on the elastic constants of Cu, Ag and Au: a molecular dynamics study

The effect of pressure on the elastic constants of Cu, Ag and Au: a molecular dynamics study

The Thermodynamic and Lattice Vibrational Properties of CuPd Alloy Under Hydrostatic Pressure

Studying equilibrium values of moduli of elasticity, using models of the mechanics of finite deformations of a continuous medium

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