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

An Interatomic Potential for Studying CuZr Bulk Metallic Glasses

2007 ◽  
Vol 9 (6) ◽  
pp. 505-508 ◽  
Author(s):  
A. P??duraru ◽  
A. Kenoufi ◽  
N. P. Bailey ◽  
J. Schiøtz
Keyword(s):  
Metallic Glasses ◽  
Interatomic Potential ◽  
Bulk Metallic Glasses

Interatomic potential to predict favored composition for Hf–Cu–Ni metallic glasses formation

2013 ◽  
Vol 552 ◽  
pp. 55-59 ◽  
Author(s):  
Y.Y. Cui ◽  
X. Bai ◽  
S.Y. Luo ◽  
Q. Wang ◽  
J.H. Li ◽  
...  
Keyword(s):  
Metallic Glasses ◽  
Interatomic Potential

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.

Atomistic study of chemical effect on local structure in Mg-based metallic glasses

RSC Advances ◽  
2015 ◽  
Vol 5 (58) ◽  
pp. 46861-46868
Author(s):  
Q. Wang ◽  
J. H. Li ◽  
J. B. Liu ◽  
B. X. Liu
Keyword(s):  
Molecular Dynamics ◽  
Metallic Glasses ◽  
Local Structure ◽  
Interatomic Potential ◽  
Md Simulations ◽  
Chemical Effect ◽  
Chemical Effects ◽  
Atomistic Study

By applying a recently constructed interatomic potential, molecular dynamics (MD) simulations were performed to investigate the structural origin of chemical effects in Mg–Cu–Ni ternary metallic glasses.

Prediction of Favored and Optimized Compositions for Cu−Zr−Ni Metallic Glasses by Interatomic Potential

2011 ◽  
Vol 115 (16) ◽  
pp. 4703-4708 ◽  
Author(s):  
Y. Y. Cui ◽  
J. H. Li ◽  
Y. Dai ◽  
B. X. Liu
Keyword(s):  
Metallic Glasses ◽  
Interatomic Potential

Atomistic approach to design favored compositions for the ternary Al–Mg–Ca metallic glass formation

RSC Advances ◽  
2015 ◽  
Vol 5 (113) ◽  
pp. 93623-93630 ◽  
Author(s):  
S. Zhao ◽  
J. H. Li ◽  
J. B. Liu ◽  
S. N. Li ◽  
B. X. Liu
Keyword(s):  
Metallic Glass ◽  
Metallic Glasses ◽  
Glass Formation ◽  
Interatomic Potential

An interatomic potential was constructed and applied to design favoured compositions for the ternary Al–Mg–Ca metallic glasses formation.

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.

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