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Materials Congress 2018
Page 43
Nano Research & Applications
ISSN: 2471-9838
W o r l d C o n g r e s s o n
Materials Science & Engineering
A u g u s t 2 3 - 2 5 , 2 0 1 8
Am s t e r d a m , N e t h e r l a n d s
U
nderstanding the structure and glass forming ability (GFA) of metals
is crucial to establishing metallic glass theory and producing advance
materials with excellent properties. The classical molecular dynamics
simulation was conducted to investigate the effect of Mo atom addition upon
atomic structure and glass-forming ability (GFA) of Ni64Zr36-xMox (x=0, 6, 12,
18, 21, 24, 27) metallic glasses (MGs), in terms of the system energy, radial
distribution functions, and the largest standard cluster analysis. It is found
that the Mo atoms do not simply replace Zr atoms, but change the chemical
order, resulting in more stable and compact structures that are much complex
indicated by the split of the first major peak on pair distribution function curves.
Further analysis reveals that the addition of Mo atoms does not favour the
formation of icosahedrons but enhances that of topologically close-packed
(TCP) structures that are not only fully responsible for the shape evolution
of the first major peak on the PDF curves, but also positive correlation with
the glass forming ability (GFA) predicted by formation enthalpy. Thus TCP
structures are the essential characteristic of MGs and the higher the forming
ability of TCP structures, the better the GFA of Ni64Zr36-xMox alloys. These
findings shed a new light on the understanding of microstructure and the
structure-GFA relationship of MGs.
Biography
Zean Tian has completed his PhD at 2009 from Hunan
University and Postdoctoral studies from the University of New
South Wales. He has published more than 80 papers in reputed
journals.
tiaanzean@126.comThe effect of Mo addition on structure and glass forming
ability of Ni-Zr alloys
Zean Tian
1
, Lin Lang
1
, Huiqiu Deng
1
, Fei Gao
1,2
and Wangyu Hu
1
1
Hunan University, China
3
University of Michigan, USA
Zean Tian et al., Nano Res Appl 2018, Volume: 4
DOI: 10.21767/2471-9838-C4-017