scholarly journals Molecular dynamics simulation of the effect of dislocations on the martensitic transformations in a two-dimensional model

2017 ◽  
Vol 7 (4) ◽  
pp. 442-446 ◽  
Author(s):  
S. V. Dmitriev ◽  
M. P. Kashchenko ◽  
J. A. Baimova ◽  
R. I. Babicheva ◽  
D. V. Gunderov ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Martensitic Transformations ◽  
Dynamics Simulation ◽  
Two Dimensional ◽  
Dimensional Model ◽  
Two Dimensional Model

Topological features of structural relaxations in a two-dimensional model atomic glass II

1989 ◽  
Vol 329 (1608) ◽  
pp. 575-593 ◽  
Keyword(s):  
Molecular Dynamics ◽  
Dynamics Simulation ◽  
Two Dimensional ◽  
Structure And Properties ◽  
High Angle ◽  
Stable Sets ◽  
Dimensional Model ◽  
Topological Features ◽  
Atom Clusters ◽  
Two Dimensional Model

The topological features of atom motions in a high-temperature melt, a sub-cooled melt above T g , and a glass below T g , were analysed in detail by means of a two-dimensional molecular dynamics simulation. A striking analogy was observed between the structure and properties of the liquid-like material separating quasi-ordered domains of atom clusters, and high-angle grain boundaries. The main feature of the structural relaxation below the melting point, both above and below T g was the gradual dissolution and disappearance of the liquid-like material, permitting increasing order in the previously quasi-ordered domains and a growth in their sizes. In these processes, many sequences reminiscent of cancellation of dislocation pairs, or mutual reactions to give more stable sets, were observed.

AFM-Based Nanoscratching: A 3D Molecular Dynamics Simulation With Experimental Verification

2014 ◽  
Author(s):  
Rapeepan Promyoo ◽  
Hazim El-Mounayri ◽  
Kody Varahramyan
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Md Simulation ◽  
Three Dimensional ◽  
Dynamics Simulation ◽  
Dimensional Model ◽  
Gold Substrate ◽  
Three Dimensional Model ◽  
Friction Forces ◽  
Defect Mechanism

In this paper, a developed three-dimensional model for AFM-based nanomachining is applied to study mechanical scratching at the nanoscale. The correlation between the scratching conditions, including applied force, scratching depth, and distant between any two scratched grooves, and the defect mechanism in the substrate/workpiece is investigated. The simulations of nanoscratching process are performed on different crystal orientations of single-crystal gold substrate, Au(100), Au(110), and Au(111). The material deformation and groove geometry are extracted from the final locations of atoms, which are displaced by the rigid indenter. The simulation also allows for the prediction of normal and friction forces at the interface between the indenter and substrate. An AFM is used to conduct actual scratching at the nanoscale, and provide measurements to which the MD simulation predictions are compared. The predicted forces obtained from MD simulation compares qualitatively with the experimental results.

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