scholarly journals Atomistic modelling of frictional anisotropy of palladium nanoparticles on graphene

2021 ◽  
Vol 24 (1) ◽  
pp. 13301
Author(s):  
A.V. Khomenko ◽  
M.V. Zakharov
Keyword(s):  
Molecular Dynamics ◽  
Graphene Sheet ◽  
Angular Dependence ◽  
Friction Force ◽  
Palladium Nanoparticles ◽  
Short Range ◽  
Short Range Order ◽  
Atomistic Modelling ◽  
Dynamics Modelling ◽  
Contact Surfaces

This article is a continuation of our previous studies of the frictional anisotropy of metal nanoparticles on the surface of a graphene substrate for other temperature conditions. The friction force acting on palladium nanoparticles on a graphene sheet in various lateral directions is investigated using classical molecular dynamics modelling. Anisotropy is studied at high sliding speeds of nanoparticles consisting of 10000 atoms on the surface of graphene. The effect of incommensurability and short-range order of the contact surfaces of nanoparticles, as well as the graphene deformation lead to the absence of an expressed angular dependence of the friction force.

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.

Angular dependence of the EXFAS (extended fine Auger structure) in MgO(100) surfaces: short-range order versus diffraction effects

1994 ◽  
Vol 306 (1-2) ◽  
pp. 144-154 ◽  
Author(s):  
I. Davoli ◽  
R. Bernardini ◽  
C. Battistoni ◽  
P. Castrucci ◽  
R. Gunnella ◽  
...  
Keyword(s):  
Angular Dependence ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Diffraction Effects

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

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
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