Cluster ‘Contact Epitaxy’- Direct Evidence for Novel Particle: Substrate Interactions

1999 ◽  
Vol 570 ◽  
Author(s):  
M. Yeadon ◽  
J.C. Yang ◽  
M. Ghaly ◽  
R.S. Averback ◽  
J.M. Gibson

ABSTRACTIn this paper we describe observations of novel interactions between clusters of Ag deposited on the clean (001) Cu surface. The experiments are analogous to those performed by Gleiter and co-workers in the 1970's, where grain boundary orientations in particles of Cu and Ag supported on single crystal metal substrates were studied. Upon annealing close to the melting point, these particles (∼10–100μm in diameter) were found to rotate on the surface, forming low-energy grain boundary configurations with the substrate. The particles studied in our experiments are ∼104 times smaller, and show rather different behavior. In the case of Ag nanoparticles we have observed a novel phenomenon, which we call ‘contact epitaxy’, involving the formation of several monolayers of epitaxially oriented Ag at the Cu surface upon contact between this surface and the Ag cluster. The phenomenon may be understood from molecular dynamics simulations of the ‘soft impact’ between the nanoparticle and surface, which indicate that the ordered layers form within picoseconds of contact. We will discuss the mechanisms by which ‘contact epitaxy’ is believed to occur.

2013 ◽  
Vol 423-426 ◽  
pp. 935-938 ◽  
Author(s):  
Ji Feng Li ◽  
Xiao Ping Zhao ◽  
Jian Liu

Molecular dynamics simulations were performed to calculate the melting points of perfect crystalline aluminum to high pressures. Under ambientpressure, there exhibits about 20% superheating before melting compared to the experimental melting point. Under high pressures, thecalculated melting temperature increases with the pressure but at a decreasing rate, which agrees well with the Simon's melting equation. Porosity effect was also studied for aluminum crystals with various initial porosity at ambient pressure, which shows that the equilibrium melting point decreases with the initial porosity as experiments expect.


1988 ◽  
Vol 100 ◽  
Author(s):  
Davy Y. Lo ◽  
Tom A. Tombrello ◽  
Mark H. Shapiro ◽  
Don E. Harrison

ABSTRACTMany-body forces obtained by the Embedded-Atom Method (EAM) [41 are incorporated into the description of low energy collisions and surface ejection processes in molecular dynamics simulations of sputtering from metal targets. Bombardments of small, single crystal Cu targets (400–500 atoms) in three different orientations ({100}, {110}, {111}) by 5 keV Ar+ ions have been simulated. The results are compared to simulations using purely pair-wise additive interactions. Significant differences in the spectra of ejected atoms are found.


1990 ◽  
Vol 193 ◽  
Author(s):  
M. V. R. Murty ◽  
H. S. Lee ◽  
Harry A. Atwater

ABSTRACTSurface and near-surface processes have been studied during low energy Xe ion bombardment of Si (001) and fcc surfaces using molecular dynamics simulations. Defect production is enhanced near the surface of smooth Si (001) surfaces with respect to the bulk in the energy range 20–150 eV, but is not confined exclusively to the surface layer. The extent and qualitative nature of bombardment-induced dissociation of small fcc islands on an otherwise smooth fcc (001) surface is found to depend strongly on island cohesive energy.


2012 ◽  
Vol 61 (3) ◽  
pp. 030701
Author(s):  
Song Qing ◽  
Ji Li ◽  
Quan Wei-Long ◽  
Zhang Lei ◽  
Tian Miao ◽  
...  

2007 ◽  
Vol 340-341 ◽  
pp. 961-966
Author(s):  
Chan Il Kim ◽  
Young Suk Kim ◽  
Sang Il Hyun ◽  
Seung Han Yang ◽  
Jun Young Park ◽  
...  

Molecular dynamics simulations are performed to verify the effect of grain boundary on nanolithography process. The model with about two hundred thousand copper (Cu) atoms is composed of two different crystal orientations of which contact surfaces are (101) and (001) planes. The grain boundary is located on the center of model and has 45 degreeangle in xz-plane. The tool is made of diamond-like-carbon with the shape of Berkovich indenter. As the tool is indented and plowed on the surface, dislocations are generated. Moreover, during the plowing process, the steps as well as the typical pile-ups are formed in front of the tool. These defects propagate into the surface of the substrate. As the tool approaches to the grain boundary, the defects are seen to be accumulated near the grain boundary. The shape of the grain boundary is also significantly deformed after the tool passes it. We observed the forces exerted on the tool by the contact with substrate, so that the friction coefficients can be obtained to address the effect of the grain boundary on the friction characteristics.


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