Z-AXIS deformation method to investigate the influence of system size, structure phase transition on mechanical properties of bulk nickel

• Published in: Materials chemistry and physics Vol. 252; p. 123275
• Main Author: Nguyen-Trong, Dung
• Format: Journal Article
• Language: English
• Published: Lausanne Elsevier B.V 15.09.2020; Elsevier BV
• Subjects: Body centered cubic lattice; Bulk Ni; Crystallization; Deformation; Dynamic structural analysis; Face centered cubic lattice; Heating rate; Mechanical; Mechanical properties; Modulus of elasticity; Molecular dynamics; Nickel; Phase transitions; Structure phase transition; System size; Tempering; Z-axis deformation; Z-axis deformation; Structure phase transition; System size; Bulk Ni; Mechanical
• ISSN: 0254-0584; 1879-3312
• DOI: 10.1016/j.matchemphys.2020.123275

This paper studied the mechanical properties of bulk nickel (bulk Ni) by the z-axis deformation method through the influence of system size and structural phase transition. Molecular dynamics (MD) studied the factors influencing the system size and structural phase transition of the bulk Ni method. The results show that when increasing system size (l), tempering time (t) of material, then the total energy of material (Etot) decreasing. Inside it, the bulk Ni has four types of structure Face-Centred Cubic (FCC), Hexagonal Close-Packed (HCP), Body-Centred Cubic (BCC), Amorphous (Amor); number of structural units FCC, HCP, Amor dominant, BCC is very-small and appears at the temperature (T), T = 300, 500 K and tempering time (t), t = 80, 160ps. When increasing the size (l), tempering time (t) lead to increased crystallization process and which increased modulus of elasticity (E), shear elasticity modulus (G) of the material and when the increase heating rate, temperature (T) lead to decrease crystallization process and which decrease modulus of elasticity (E), shear elasticity modulus (G). •We have studied the effect of system size (l), heating rate, temperature (T), tempering time (t) on the (E), G and α.•When increases l lead to E, G increases and α decreases.•When increases, T leads to material move to a liquid (amorphous) state.•When material in liquid (amorphous) state then E, G decreases to zero and the α increases to infinity?•When appears add BCC in l = 8.03 nm then E, G reaches the maximum value.