Adhesive Energy of Zinc Oxide and Graphite, Molecular Dynamics and Atomic Force Microscopy Study

2012 ◽  
Vol 1479 ◽  
pp. 89-94
Author(s):  
Ulises Galan ◽  
Henry A. Sodano

AbstractMolecular Dynamics (MD) simulations are performed to calculate the interfacial energy between zinc oxide (ZnO) and graphitic carbon for the study of solid–solid adhesion. The MD model consists of a ZnO slab and a single layer of graphitic carbon. The calculation was validated experimentally by atomic force microscopy (AFM) liftoff. A polishing process was applied to create a tip with a flat surface that was subsequently coated with a ZnO film allowing force displacement measurement on Highly Oriented Pyrolitic Graphite to validate the simulations. The MD simulation and AFM lift-off show good agreement with adhesive energies of 0.303 J/m2 and 0.261 ± 0.054 J/m2, respectively.

1999 ◽  
Vol 14 (3) ◽  
pp. 1084-1090 ◽  
Author(s):  
C. F. Zhu ◽  
I. Lee ◽  
J. W. Li ◽  
C. Wang ◽  
X. Y. Cao ◽  
...  

In this paper, we report atomic force microscopy (AFM) images of a tubular polymer and its supermolecular polymer thin films, operated in contact mode at room temperature in air. The configuration models are also calculated using molecular dynamics. The diameter of the polymer nanotube is about 0.7 nm, the smallest size a tube can have. The results of calculation agree with the experimental results.


2013 ◽  
Vol 6 (11) ◽  
pp. 113101 ◽  
Author(s):  
Na Li ◽  
Zhi Li ◽  
Hao Ding ◽  
Shuaihua Ji ◽  
Xi Chen ◽  
...  

2015 ◽  
Author(s):  
Rapeepan Promyoo ◽  
Hazim El-Mounayri ◽  
Kody Varahramyan

In this paper, a three-dimensional computational model for Atomic Force Microscopy (AFM) based nanoindentation processes is being developed. Molecular Dynamics (MD) and Finite Element (FE) techniques are used to model and simulate mechanical indentation at the nanoscale. The correlation between the indentation conditions, including applied force and tip radius, and defect mechanism in substrate is investigated. The tip geometries used in the model are the same as those used in the experiments. The MD simulations of nanoindentation process are performed on different crystal orientations of single-crystal gold substrate, Au(100), Au(110), and Au(111). In MD simulation, the material deformation is extracted from the final locations of atoms, which are displaced by the rigid indenter. The simulation also allows for the prediction of forces at the interface between the indenter and substrate. In addition to the modeling, an AFM is used to conduct actual indentation at the nanoscale, and provide measurements to which the simulation predictions are compared.


2003 ◽  
Vol 36 (25) ◽  
pp. 9510-9518 ◽  
Author(s):  
Marc Schneider ◽  
Martin Brinkmann ◽  
Helmuth Möhwald

2021 ◽  
Vol 125 (16) ◽  
pp. 8696-8703
Author(s):  
Fei Pang ◽  
Feiyue Cao ◽  
Le Lei ◽  
Lan Meng ◽  
Shili Ye ◽  
...  

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