Interatomic potential to calculate the driving force, optimized composition, and atomic structure of the Cu-Hf-Al metallic glasses

2011 ◽  
Vol 99 (1) ◽  
pp. 011911 ◽  
Author(s):  
Y. Y. Cui ◽  
J. H. Li ◽  
Y. Dai ◽  
B. X. Liu
Keyword(s):  
Metallic Glasses ◽  
Atomic Structure ◽  
Driving Force ◽  
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.

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

Glass Forming Ability of Ca-Based Bulk Metallic Glasses

2011 ◽  
Vol 171 ◽  
pp. 121-126 ◽  
Author(s):  
Ashmi T. Patel ◽  
Kirit N. Lad ◽  
Arun Pratap
Keyword(s):  
Metallic Glasses ◽  
Driving Force ◽  
Bulk Metallic Glasses ◽  
Energy Difference ◽  
Glass Forming Ability ◽  
Point Of View ◽  
Undercooled Liquid ◽  
Free Energy Difference ◽  
Glass Forming ◽  
Gibbs Free Energy Difference

Knowledge of glass forming ability (GFA) of amorphous metallic alloys is very important from both theoretical and practical point of view. Thermodynamically, the Gibbs free energy difference, ΔG between the undercooled liquid and the corresponding crystalline state is driving force for crystallization. As a consequence, it is a good indicator for glass forming ability of metallic glasses. A novel expression for ΔG has been used to estimate the GFA of recently developed Ca-based bulk metallic glasses viz. Ca53Mg23Cu24,Ca65Mg15Cu20,Ca40Mg25Cu35, Ca50Mg22.5Cu27.5 and Ca55Mg15Cu30. Different GFA criteria are also evaluated for systems taken up in the study and effect of addition of variation in composition of Ca-Mg-Cu system is also investigated. Present work suggests that among different GFA criteria, ΔG is the best criterion for the prediction of GFA for Ca-based bulk metallic glasses.

scholarly journals Relating Dynamic Properties to Atomic Structure in Metallic Glasses

JOM ◽  
2012 ◽  
Vol 64 (7) ◽  
pp. 856-881 ◽  
Author(s):  
H. W. Sheng ◽  
E. Ma ◽  
M. J. Kramer
Keyword(s):  
Metallic Glasses ◽  
Atomic Structure ◽  
Dynamic Properties

scholarly journals Deformation behavior of metallic glasses with shear band like atomic structure: a molecular dynamics study

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
C. Zhong ◽  
H. Zhang ◽  
Q. P. Cao ◽  
X. D. Wang ◽  
D. X. Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Shear Band ◽  
Metallic Glasses ◽  
Atomic Structure ◽  
Deformation Behavior

The shells of atomic structure in metallic glasses

2016 ◽  
Vol 24 (2) ◽  
pp. 025004 ◽  
Author(s):  
S P Pan ◽  
S D Feng ◽  
J W Qiao ◽  
B S Dong ◽  
J Y Qin
Keyword(s):  
Metallic Glasses ◽  
Atomic Structure

Driving force for structural relaxation in FeB metallic glasses

1983 ◽  
Vol 58 (2-3) ◽  
pp. 285-293 ◽  
Author(s):  
F.F. So ◽  
Roy Kaplow ◽  
R.C. O'Handley
Keyword(s):  
Metallic Glasses ◽  
Structural Relaxation ◽  
Driving Force

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
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