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

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Tuan Tran Quoc , Dũng Nguyễn Trọng , Ştefan Ţălu ·

YOU? · · 2021 · Open Access · · DOI: https://doi.org/10.1155/2021/5564644

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.

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Coordination number Amorphous solid Radial distribution function Materials science Molecular dynamics Aluminium Phase (matter) Deformation (meteorology) Structural change Position (finance) Thermodynamics Crystallography Chemistry Physics Computational chemistry Composite material Ion Organic chemistry Macroeconomics Economics Finance

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Type: article
Language: en
Landing Page: https://doi.org/10.1155/2021/5564644
PDF: https://downloads.hindawi.com/journals/amse/2021/5564644.pdf
OA Status: gold
Cited By: 8
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DOI: https://doi.org/10.1155/2021/5564644

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

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Language: en

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Publication year: 2021

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Publication date: 2021-01-01

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Authors: Tuan Tran Quoc, Dũng Nguyễn Trọng, Ştefan Ţălu

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Landing page: https://doi.org/10.1155/2021/5564644

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Concepts: Coordination number, Amorphous solid, Radial distribution function, Materials science, Molecular dynamics, Aluminium, Phase (matter), Deformation (meteorology), Structural change, Position (finance), Thermodynamics, Crystallography, Chemistry, Physics, Computational chemistry, Composite material, Ion, Organic chemistry, Macroeconomics, Economics, Finance

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Cited by: 8

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