scholarly journals Ab initiomolecular dynamics simulations of short-range order in Zr50Cu45Al5and Cu50Zr45Al5metallic glasses

2016 ◽  
Vol 28 (8) ◽  
pp. 085102 ◽  
Author(s):  
Yuxiang Huang ◽  
Li Huang ◽  
C Z Wang ◽  
M J Kramer ◽  
K M Ho
Keyword(s):  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Dynamics Simulations

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.

scholarly journals Influence of stoichiometry on indentation-induced plasticity in CuZr glasses

2021 ◽  
Vol 127 (9) ◽  
Author(s):  
Karina E. Avila ◽  
Stefan Küchemann ◽  
Reinhardt E. Pinzón ◽  
Herbert M. Urbassek
Keyword(s):  
Short Range ◽  
Short Range Order ◽  
Orthogonal Cutting ◽  
Shear Bands ◽  
Range Order ◽  
Plasticity Mechanism ◽  
Density Reduction ◽  
High Fraction ◽  
The Difference ◽  
Dynamics Simulations

AbstractPlasticity in metallic glasses depends on their stoichiometry. We explore this dependence by molecular dynamics simulations for the case of CuZr alloys using the compositions Cu$$_{64.5}$$ 64.5 Zr$$_{35.5}$$ 35.5 , Cu$$_{50}$$ 50 Zr$$_{50}$$ 50 , and Cu$$_{35.5}$$ 35.5 Zr$$_{64.5}$$ 64.5 . Plasticity is induced by nanoindentation and orthogonal cutting. Only the Cu$$_{64.5}$$ 64.5 Zr$$_{35.5}$$ 35.5 sample shows the formation of localized strain in the form of shear bands, while plasticity is more homogeneous for the other samples. This feature concurs with the high fraction of full icosahedral short-range order found for Cu$$_{64.5}$$ 64.5 Zr$$_{35.5}$$ 35.5 . In all samples, the atomic density is reduced in the plastic zone; this reduction is accompanied by a decrease of the average atom coordination, with the possible exception of Cu$$_{35.5}$$ 35.5 Zr$$_{64.5}$$ 64.5 , where coordination fluctuations are high. The strongest density reduction occurs in Cu$$_{64.5}$$ 64.5 Zr$$_{35.5}$$ 35.5 , where it is connected with the partial destruction of full icosahedral short-range order. The difference in plasticity mechanism influences the shape of the pileup and of the chip generated by nanoindentation and cutting, respectively.

Short-range order effects in amorphous FexSi1-x/Si multilayers induced by preparation conditions

1998 ◽  
Vol 08 (PR2) ◽  
pp. Pr2-175-Pr2-178 ◽  
Author(s):  
G. T. Pérez ◽  
F. H. Salas ◽  
R. Morales ◽  
L. M. Álvarez-Prado ◽  
J. M. Alameda
Keyword(s):  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Order Effects ◽  
Preparation Conditions

SHORT RANGE ORDER IN QUENCHED Ni4Mo

1977 ◽  
Vol 38 (C7) ◽  
pp. C7-173-C7-173
Author(s):  
J.-P. CHEVALIER ◽  
W. M. STOBBS
Keyword(s):  
Short Range ◽  
Short Range Order ◽  
Range Order
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