Some Factors Affected on Structure, Mechanical of Ni Bulk

Nguyen Trong Dung,Nguyen Chinh Cuong

doi:10.4236/ampc.2018.84012

Abstract

The article examines the effect of atomic number, temperature and tempering time on microstructure and mechanical of Ni bulk by molecular dynamics simulation and deformation z-axis. Samples Ni with N = 4000, 5324, 6912, and 8788 atoms at 300 K, 6912 atoms at T = 1100, 900, 700, 500, 300 K and 6912 atoms at 900 K after different annealing time. The samples were incubated with the same heating rate . Combined with common neighborhood analysis method shown in sample is always existing four types structure: FCC, HCP, BCC, and Amor. In particular, structural units FCC, HCP and Amor always prevail and BCC are very small and appear only at 300, 500 K with 6912 atoms. When increasing atomic number, lowering temperature or increasing tempering time will facilitate crystallization process leading to increased FCC and HCP units number. The increasing FCC, HCP units number and additional appearance BCC structure led to change microstructure and mechanical of material: When increasing atom, lowering temperature and increasing incubation time lead to an increase in density of atoms that increase mechanical properties of the material.

Highlights

Nowadays, materials Ni bulk are always used in industries: Microelectronics [1] [2] [3] [4], photocatalyst [5] [6], photovoltaics [7], and solar energy [8]
We focus on the influence of factors such as atomic number, temperature, microstructure and mechanical properties and termination; and the relationship among size, stress and number of structural units FCC, HCP, BCC, and Amor
The Ni4000 has the first peak of radial distribution function (RDF) prevail with valuable is 2.45 Å that shows sample Ni bulk do not far order exist that always exist near order (Figure 1(a)) and have average coordination number is 12 (Figure 1(b))

Summary

Introduction

Materials Ni bulk are always used in industries: Microelectronics [1] [2] [3] [4], photocatalyst [5] [6], photovoltaics [7], and solar energy [8]. In that, they have great influence on microstructure, surface morphology and crystallization state on microstructure, mechanical. Cause when size material limited led to appearance quantum effects (Size effects, surface effects), materials appear much different natures [25] [26] [27] [28]

Methods

Results

Conclusion