Atomistic modeling to optimize composition and characterize structure of Ni–Zr–Mo metallic glasses

2015 ◽  
Vol 17 (20) ◽  
pp. 13355-13365 ◽  
Author(s):  
M. H. Yang ◽  
S. N. Li ◽  
Y. Li ◽  
J. H. Li ◽  
B. X. Liu
Keyword(s):  
Transition Metals ◽  
Long Range ◽  
Metallic Glasses ◽  
Interatomic Potential ◽  
Atomistic Modeling ◽  
Metal System ◽  
Ternary Metal

An interatomic potential was constructed for the Ni–Zr–Mo ternary metal system with the newly proposed long-range empirical formulism, which has been verified to be applicable for fcc, hcp and bcc transition metals and their alloys.

scholarly journals Atomic-Approach to Predict the Energetically Favored Composition Region and to Characterize the Short-, Medium-, and Extended-Range Structures of the Ti-Nb-Al Ternary Metallic Glasses

Materials ◽  
2019 ◽  
Vol 12 (3) ◽  
pp. 432
Author(s):  
Bei Cai ◽  
Jianbo Liu ◽  
Jiahao Li ◽  
Menghao Yang ◽  
Baixin Liu
Keyword(s):  
Metallic Glasses ◽  
Driving Force ◽  
Interatomic Potential ◽  
Hierarchical Structures ◽  
Range Analysis ◽  
Composition Region ◽  
Glassy Alloys ◽  
Extended Range ◽  
Ternary Metal ◽  
Body Potential

Ab initio calculations were conducted to assist the construction of the n-body potential of the Ti-Nb-Al ternary metal system. Applying the constructed Ti-Nb-Al interatomic potential, molecular dynamics and Monte Carlo simulations were performed to predict a quadrilateral composition region, within which metallic glass was energetically favored to be formed. In addition, the amorphous driving force of those predicted possible glassy alloys was derived and an optimized composition around Ti15Nb45Al40 was pinpointed, implying that this alloy was easier to be obtained. The atomic structure of Ti-Nb-Al metallic glasses was identified by short-, medium-, and extended-range analysis/calculations, and their hierarchical structures were responsible to the formation ability and unique properties in many aspects.

Formation of bulk metallic glasses in the Fe–M–Y–B (M=transition metal) system

2008 ◽  
Vol 460 (1-2) ◽  
pp. 708-713 ◽  
Author(s):  
X.M. Huang ◽  
C.T. Chang ◽  
Z.Y. Chang ◽  
X.D. Wang ◽  
Q.P. Cao ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metallic Glasses ◽  
Bulk Metallic Glasses ◽  
Metal System ◽  
Transition Metal System

Interatomic potential to predict the favored and optimized compositions for ternary Cu-Zr-Hf metallic glasses

2012 ◽  
Vol 112 (10) ◽  
pp. 103518 ◽  
Author(s):  
S. Y. Luo ◽  
Y. Y. Cui ◽  
Y. Dai ◽  
J. H. Li ◽  
B. X. Liu
Keyword(s):  
Metallic Glasses ◽  
Interatomic Potential

A general rule for transition metals doping on magnetic properties of Fe-based metallic glasses

2020 ◽  
Vol 819 ◽  
pp. 153062
Author(s):  
Hui Chen ◽  
Shaoxiong Zhou ◽  
Bangshao Dong ◽  
Jianjun Jin ◽  
Tianqi Liu ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Transition Metals ◽  
Metallic Glasses ◽  
General Rule

EmpiricalN-Body Interatomic Potential for B.C.C. Transition Metals

1991 ◽  
Vol 166 (1) ◽  
pp. 69-78 ◽  
Author(s):  
V. V. Ogorodnikov ◽  
V. V. Pokropivny
Keyword(s):  
Transition Metals ◽  
Interatomic Potential
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