Short‐range order in glycerol. A molecular dynamics study

1989 ◽  
Vol 90 (2) ◽  
pp. 1200-1208 ◽  
Author(s):  
Leslie J. Root ◽  
Frank H. Stillinger
Keyword(s):  
Molecular Dynamics ◽  
Short Range ◽  
Short Range Order ◽  
Range Order

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.

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

Molecular Dynamics Simulation of Atactic Polystyrene. 3. Short Range Order

1995 ◽  
Vol 28 (8) ◽  
pp. 2807-2818 ◽  
Author(s):  
Ryong-Joon Roe ◽  
M. Mondello ◽  
Hidemine Furuya ◽  
Hyung-Jin Yang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Dynamics Simulation ◽  
Atactic Polystyrene
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