Study on the Influence of Factors on the Structure and Mechanical Properties of Amorphous Aluminium by Molecular Dynamics Method

Abstract

The influence of the number of atoms, N = 3000, 5000, 7000, and 9000 atoms, at temperature T = 300 K and temperatures T = 300, 500, 700, 900, 1100, 1300, and 1500 K at N = 9000 atoms, on microscopic structure, phase transition temperature, and mechanical property of bulk aluminium in an amorphous state is studied by the molecular dynamics method with the Sutton–Chen embedded interaction potential and the periodic boundary condition. Structural results are analyzed through the radial distribution function, the total energy of the system, the size, and the common neighbor analysis. The phase transition temperature is determined by the relationship between the total energy of the system and temperature. The mechanical property is derived from the deformation along the Z-axis. It can be noted that when the number of atoms increases, the first peak’s position for radial distribution function changes, the first peak’s height decreases, the number of FCC and HCP structural units decreases, the number of Amor structural units increases, and the total energy of system increases. It can be seen that when temperature increases, the first peak’s position changes, the first peak’s height decreases, the number of FCC and HCP structural units decreases, the number of Amor structural units increases, and the total energy of the system decreases. The obtained results are very useful for experimental studies in the future.

Molecular Dynamics Studies of The Effects of Copper on The Mechanical Properties of Aluminum

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Synthesis and Characterization Catalyst γ-Al2O3 and Al/γ-Al2O3 Using XRD Analysis

“…In this study, Aluminum (Al) is metal. Al is a metallic material consisting of atoms formed in a three-dimensional arrangement in a crystalline phase [11]. Aluminum can attract electrons compared to other metals, so it is very suitable as an active component in catalysts and even corrosion resistance.…”

Study on the Melting Temperature, the Jumps of Volume, Enthalpy and Entropy at Melting Point, and the Debye Temperature for the BCC Defective and Perfect Interstitial Alloy WSi under Pressure

“…Metals and interstitial alloys [1][2][3][4][5] have been investigated by several research groups in the last decades due to their applications in various fields [6][7][8][9]. Many theoretical and experimental studies about the mechanical and thermodynamic properties of metals and interstitial alloys gained scientific and technological attention and represent an active area of research that requires integrating modern scientific insights [10][11][12][13][14] from multiple disciplines [15][16][17][18][19].…”

“…Different researchers have studied the dependence of the mechanical and thermodynamic properties of materials on the temperature (T), pressure (P), and concentration of components for these materials. It is known that point defects such as vacancies have important contributions to the properties of materials [18][19][20][21][22][23][24]. At the melting point, the equilibrium vacancy concentration of metals changes from 10 −4 to 10 −2 [20]; therefore, it has a significant influence on the thermodynamic quantities of crystals at high temperatures.…”