A Study on the Structural Features of Amorphous Nanoparticles of Ni by Molecular Dynamics Simulation

Abstract

This study deals with the impact of the heating rate (HR), temperature (T), and the number of atoms (N) on the structural features of amorphous nanoparticles (ANPs) of Ni by molecular dynamics simulation (MDS) with similar potential Sutton–Chen immersion. The obtained results showed that the structural features of ANPs of Ni are significantly affected by the studied factors. The correlation between the size (D) and the N was determined to be D~N−1/3. The energy (E) was proportional to N−1, and the Ni-Ni link length was 2.55 Å. The glass transition temperature (Tg) derived from the E-T graph was estimated to be 630 K. An increase in the HR induced a change in the shape of the ANPs of Ni. Furthermore, raising the HR caused an enhancement in the D and a decrement in the density of atoms. The obtained results are expected to contribute to future empirical studies.

Electrolyte pH dependence of composition, roughness parameters, particle diameter and magnetic features of nanostructured Fe‐Co‐Ni/ITO deposits prepared by electrochemical deposition method

“…Due to the relative abundance of transition metals, research has focused on Cu, Ni, Fe, Co, etc. [1][2][3][4][5] However, single metal has physical properties that cannot be tailored for specialty materials. Therefore, to improve the physical property of interest, theoretical and experimental studies have focused more on binary and ternary alloys.…”

“…Today, nanostructured materials play a great role in research, manufacture and application. Due to the relative abundance of transition metals, research has focused on Cu, Ni, Fe, Co, etc 1–5 . However, single metal has physical properties that cannot be tailored for specialty materials.…”