Abstract
This paper studies the influence of factors such as heating rate, atomic number, temperature, and annealing time on the structure and the crystallization process of NiAu alloy. Increasing the heating rate leads to the moving process from the crystalline state to the amorphous state; increasing the temperature (T) also leads to a changing process into the liquid state; when the atomic number (N), and t increase, it leads to an increased crystalline process. As a result, the dependence between size (l) and atomic number (N), the total energy of the system (Etot) with N as l~N−1/3, and −Etot always creates a linear function of N, glass temperature (Tg) of the NiAu alloy, which is Tg = 600 K. During the study, the number of the structural units was determined by the Common Neighborhood Analysis (CNA) method, radial distribution function (RDF), size (l), and Etot. The result shows that the influencing factors to the structure of NiAu alloy are considerable.
Highlights
Today, the alloys PtAu [1], PdAu [2], NiAu [3] are receiving great attention from theoretical and experimental scientists [4,5] because they have many special properties compared to pure materials [6,7]
What processes were happened to NiAu alloy when there was a change in heating rate, atomic number, and temperature? To answer this question, we focus on studying the factors that affect the structure and crystallization process of NiAu alloys
When increasing atoms number from NiAu2048 to NiAu2916, The results indicate that NiAu2048 alloy at T = 300 K has structural shape and l = 7.34 nm, Etot = −173.85 eV (Figure 4(a1)), together with the radial distribution function, has r = 2.49 Å, NiAu4000, NiAu5324, NiAu6912, structural shape changes, size (l) increases from l = 7.34 g(r) = 6.47 (Figure 4(a2)), and the structural unit numbers are 312 FCC, 443 HCP, 1293
Summary
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