Special Issue on Simulation Studies on Solid Surface. Kinetics of the MBE Growth on Stepped Surfaces.

AbstractWe investigate the surface kinetics of Pt using the extended embedded-atom method, an extension of the embedded-atom method with additional degrees of freedom to include the nonbulk data from lower-coordinated systems as well as the bulk properties. The surface energies of the clean Pt (111) and Pt (100) surfaces are found to be 0.13 eV and 0.147 eV respectively, in excellent agreement with experiment. The Pt on Pt (111) adatom diffusion barrier is found to be 0.38 eV and predicted to be strongly strain-dependent, indicating that, in the compressive domain, adatoms are unstable and the diffusion barrier is lower; the nucleation occurs in the tensile domain. In addition, the dissociation barrier from the dimer configuration is found to be 0.82 eV. Therefore, we expect that atoms, once coalesced, are unlikely to dissociate into single adatoms. This essentially tells that by changing the applied strain, we can control the patterning of nanostructures on the metal surface.

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Kinetics of Particle Transport to a Solid Surface from an Impinging Jet under Surface and External Force Fields

Journal of Colloid and Interface Science ◽

10.1006/jcis.1998.5806 ◽

1998 ◽

Vol 208 (1) ◽

pp. 226-240 ◽

Cited By ~ 29

Author(s):

Chun Yang ◽

Tadeusz Dabros ◽

Dongqing Li ◽

Jan Czarnecki ◽

Jacob H. Masliyah

Keyword(s):

External Force ◽

Solid Surface ◽

Particle Transport ◽

Force Fields ◽

Impinging Jet ◽

Kinetics Of

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Surface kinetics of N and O atoms in discharges

Journal of Physics D Applied Physics ◽

10.1088/0022-3727/29/4/012 ◽

1996 ◽

Vol 29 (4) ◽

pp. 1021-1031 ◽

Cited By ~ 111

Author(s):

B Gordiets ◽

C M Ferreira ◽

J Nahorny ◽

D Pagnon ◽

M Touzeau ◽

...

Keyword(s):

Surface Kinetics ◽

Kinetics Of

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Vacancy-Mediated Diffusion and Diffusion-Controlled Processes in Ordered Binary Intermetallics by Kinetic Monte Carlo Simulations

Diffusion Foundations ◽

10.4028/www.scientific.net/df.29.95 ◽

2021 ◽

Vol 29 ◽

pp. 95-115

Author(s):

Rafal Kozubski ◽

Graeme E. Murch ◽

Irina V. Belova

Keyword(s):

Monte Carlo ◽

Kinetic Monte Carlo ◽

Simulation Studies ◽

Self Diffusion ◽

Monte Carlo Techniques ◽

Diffusion Controlled ◽

Kinetic Monte Carlo Simulations ◽

Kinetic Effects ◽

Kinetics Of ◽

And Diffusion

We review the results of our Monte Carlo simulation studies carried out within the past two decades in the area of atomic-migration-controlled phenomena in intermetallic compounds. The review aims at showing the high potential of Monte Carlo methods in modelling both the equilibrium states of the systems and the kinetics of the running processes. We focus on three particular problems: (i) the atomistic origin of the complexity of the ‘order-order’ relaxations in γ’-Ni3Al; (ii) surface-induced ordering phenomena in γ-FePt and (iii) ‘order—order’ kinetics and self-diffusion in the ‘triple-defect’ β-NiAl. The latter investigation demonstrated how diverse Monte Carlo techniques may be used to model the phenomena where equilibrium thermodynamics interplays and competes with kinetic effects.

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MBE Growth of GaN Films in Presence of Surfactants: The Effect of Mg and Si

MRS Proceedings ◽

10.1557/proc-595-f99w3.35 ◽

1999 ◽

Vol 595 ◽

Author(s):

Guido Mula ◽

Bruno Daudin ◽

Christoph Adelmann ◽

Philippe Peyla

Keyword(s):

Growth Rate ◽

Theoretical Model ◽

Diffusion Barriers ◽

Surface Kinetics ◽

Growth Behaviour ◽

Mbe Growth ◽

Foreign Species

AbstractWe present here a description and an analysis of the modifications in the growth behaviour of GaN induced by the presence of foreign species. The particular cases of Mg and Si are analysed. Profound changes, both in microscopic and macroscopic scales, occur in presence of Mg, even for fluxes of about 1/1000th of the Ga flux. The growth rate can be increased by almost 50%, depending of the III/V ratio and on the amount of Mg. A theoretical model is proposed to describe the observed effect. It is found that Mg induces changes in the Ga and N diffusion barriers and acts as a surfactant. The effect is stronger on the a-GaN than on the α-GaN, where N is more tightly bonded. The effect of Si is by far less pronounced, probably because it is more easily incorporated than Mg, and its effect on the surface kinetics is then strongly reduced.

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