Investigation on the effect of temperature, pressure and grain size on the creep behavior of nickel-chromium binary alloy through molecular dynamics simulation

Abstract

The microstructure of a polycrystalline binary alloys has offers a critical effect over the creep behavior and its characteristics, due to its vital role over the diffusion behavior of various atoms through the grain boundaries which leads to alter its mechanical and creep characteristics. In this study, the creep behavior of nickel-chromium binary alloy has been computed under compression mode under varying grain size (4.5 nm, 3.7 nm and 2.9 nm), pressure (1 GPa, 2 GPa and 3GPa) and the temperature (600 K and 900 K) to examine its influence over the creep characteristics of nickel-chromium binary alloy. Through this examination, it is found that the temperature has offer greater influence over the creep characteristics followed by the grain size and the pressure, owing to its superior influence over the diffusion behavior of nickel-chromium binary alloy. Additionally, the analysis of vacancy formation and the displacement of nickel and aluminum atoms have confirmed that the diffusion characteristic plays a vibrant role on the creep mechanism of nickel-chromium polycrystalline alloy.

Study on the effect of temperature and strain rate on Ni2FeCrCuAl high entropy alloy: a molecular dynamics study

“…Besides, it is observed that the increase in time period leads to an upsurge in the shear strain related to the lowermost time period, owing to the decrement in preventive performance between various atoms which confirms the formation of various dislocations such as 1/6<112>and 1/3<001>during tensile deformation [9,13]. Based on the above observation it is observed that the strain rate has a complex impact on the shearing behavior of HEA trailed by the temperature which leads to cause modification in tensile behavior and its characteristics [9].…”

“…But, the increment in temperature leads to diminishing the above material behavior, owed to the increment in kinetic energy atoms leads to invoking easiest atomic movements through the rupture of energy barriers and roots to diminish the enhancement in material features. Based on the above observation it is observed that the strain rate has a higher impact on the tensile behavior of HEA followed by the temperature which leads to cause modification in tensile behavior and its characteristics [9].…”

“…Furthermore, it is quantified that the increment in strain rate and temperature leads to an upsurge in the shearing behavior through the augmentation of shear strain, owed to the influence of augmentation in the kinetic energy of atoms and provoke the rapid atomic movements of various atoms [16][17][18]. Besides, it is observed that the increase in time period leads to an upsurge in the shear strain related to the lowermost time period, owing to the decrement in preventive performance between various atoms which confirms the formation of various dislocations such as 1/6<112>and 1/3<001>during tensile deformation [9,13]. Based on the above observation it is observed that the strain rate has a complex impact on the shearing behavior of HEA trailed by the temperature which leads to cause modification in tensile behavior and its characteristics [9].…”

“…The MD characterization has been carried out via the LAMMPS software tool using Zhou et al Ni-Fe-Cr-Cu-Al EAM potential, owed to its improved efficacy during MD study [9][10][11]. Initially, the Nickel crystal with the lattice parameter of 3.52 Å has been made followed by the random replacement of the following elements: Iron (Fe), Chromium (Cr), Copper (Cu), Aluminum (Al) to avoid the impact of selective replacements.…”

“…Where r ij , ρ β , f αβ and F α are the distance amongst two atoms i and j, the influence of the electron charge density from atom j (type β) to the atom i, pairwise potential function and embedding function, respectively [9]. The tensile characterization has been conducted with the periodic boundary conditions over the heat-treated high entropy alloy under varying strain rates (1×10 11 /s (A), 3×10 11 /s (B) and 5×10 11 /s (C)) and temperature (300 K (D), 600 K (E) and 900 K (F)) to evaluate its influence over the tensile and thermal features of high entropy alloy (Representations are cited in brackets: Example.…”