Molecular dynamics study of short range order and viscosity to understand the glass forming ability in FeXZr100-X metallic glasses

2020 ◽  
Author(s):  
Anik Shrivastava ◽  
Mahendra Khandpekar ◽  
D. S. Gowtam ◽  
Vivek Srivastava ◽  
Mahesh Mohape ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Metallic Glasses ◽  
Short Range ◽  
Short Range Order ◽  
Glass Forming Ability ◽  
Range Order ◽  
Glass Forming

Local structure of the Zr–Al metallic glasses studied by proposed n-body potential through molecular dynamics simulation

2010 ◽  
Vol 25 (9) ◽  
pp. 1679-1688 ◽  
Author(s):  
S.Z. Zhao ◽  
J.H. Li ◽  
B.X. Liu
Keyword(s):  
Molecular Dynamics ◽  
Metallic Glasses ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Dynamics Simulation ◽  
Face Centered Cubic ◽  
Dynamics Simulations ◽  
Body Potential ◽  
Pair Analysis

An n-body potential is first constructed for the Zr–Al system and proven to be realistic by reproducing a number of important properties of the system. Applying the constructed potential, molecular dynamics simulations, chemical short-range order (CSRO) calculation, and Honeycutt and Anderson (HA) pair analysis are carried out to study the Zr–Al metallic glasses. It is found that for the binary Zr–Al system, metallic glasses are energetically favored to be formed within composition range of 35–75 at.% Al. The calculation shows that the CSRO parameter is negative and could be up to −0.17, remarkably indicating that there exists a chemical short-range order in the Zr–Al metallic glasses. The HA pair analysis also reveals that there are diverse short-range packing units in the Zr–Al metallic glasses, in which icosahedra and icosahedra/face-centered cubic (fcc)-defect structures are predominant.

Concept of chemical short range order domain and the glass forming ability in multicomponent liquid

2002 ◽  
Vol 10 (11-12) ◽  
pp. 1221-1232 ◽  
Author(s):  
Guoliang Chen ◽  
Xidong Hui ◽  
Shiwen Fan ◽  
Hongchao Kou ◽  
Kefu Yao
Keyword(s):  
Short Range ◽  
Short Range Order ◽  
Glass Forming Ability ◽  
Range Order ◽  
Glass Forming ◽  
Order Domain

Effect of Compositional Short Range Order on Glass Formation in Binary Metallic System

2002 ◽  
Vol 754 ◽  
Author(s):  
Hao Chen ◽  
Mahadevan Khantha ◽  
Takeshi Egami
Keyword(s):  
Glass Transition ◽  
Metallic Glass ◽  
Bulk Metallic Glass ◽  
Glass Formation ◽  
Short Range ◽  
Short Range Order ◽  
Glass Forming Ability ◽  
Range Order ◽  
Dynamics Simulation ◽  
Glass Forming

ABSTRACTMolecular Dynamics simulation was carried out to study the glass transition and crystallization in the metal-metalloid binary system with pair-wise potentials. The results show that a repulsive potential between metalloid (small) atoms increases the glass forming ability. The observation is consistent with the recent theory of bulk metallic glass formation through local glass transition and nano-glass formation. The theory predicted that the compositional short-range order (CSRO) prevents the small atom pairing so as to increase the glass forming ability (GFA). The present results demonstrate the important role of CSRO in bulk metallic glass formation.

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