Search Results - subject:"surface diffusion"

Green–Kubo relations for dynamic interfacial excess properties

Sagis, Leonard M.C. - In: Physica A: Statistical Mechanics and its Applications 391 (2012) 15, pp. 3805-3815

derive Green–Kubo relations for the surface shear viscosity, the surface dilatational viscosity, the surface diffusion …

Persistent link: https://www.econbiz.de/10010874699

FIRST-PRINCIPLES STUDY OF THE ADSORPTION AND DIFFUSION OF O2 ON A Si(001) SURFACE

YANG, CHUN; YANG, CHONG; HUANG, PING; LIANG, XIAO QIN - In: Surface Review and Letters (SRL) 18 (2011) 06, pp. 315-321

We apply a first-principles molecular-dynamics method based on the density functional theory to calculate several initial configurations of an O2 molecule adsorbed on a Si(001) surface. The bonding processing, adsorption energy, dynamic track, and diffusion coefficient are investigated. The...

Persistent link: https://www.econbiz.de/10010660974

The surface diffusion coefficient for an arbitrarily curved fluid–fluid interface. (I). General expression

M.C. Sagis, Leonard - In: Physica A: Statistical Mechanics and its Applications 291 (2001) 1, pp. 89-102

In this paper, we develop a theory for the calculation of the surface diffusion coefficient for an arbitrarily curved … interface, without memory effects or yield stresses. We derive an expression for the surface diffusion coefficient in terms of …

Persistent link: https://www.econbiz.de/10011062765

The surface diffusion coefficient for an arbitrarily curved fluid–fluid interface. (II). Coefficient for plane-parallel diffusion

M.C. Sagis, Leonard - In: Physica A: Statistical Mechanics and its Applications 291 (2001) 1, pp. 103-112

surface. From this profile and the total density and concentration profiles in the interfacial region, the surface diffusion …

Persistent link: https://www.econbiz.de/10010591546

Diffusion of particles over triangular inhomogeneous lattice with two non-equivalent sites

Tarasenko, A.; Jastrabik, L. - In: Physica A: Statistical Mechanics and its Applications 388 (2009) 11, pp. 2109-2121

We investigate the diffusion of particles adsorbed on a triangular lattice with deep and shallow sites. It is shown that the character of the particle migration depends substantially on the relative jump rates from the deep and shallow sites. The site inhomogeneity imposes specific correlation...

Persistent link: https://www.econbiz.de/10010874658

FIRST-PRINCIPLES STUDY OF Ni ADSORPTION ON Mo(110)

ZHOU, Y. G.; ZU, X. T.; NIE, J. L.; XIAO, H. Y. - In: Surface Review and Letters (SRL) 15 (2008) 05, pp. 661-668

The adsorption of Ni atom on the Mo(110) surface has been studied within the density functional theory framework. It turned out that Ni–Mo surface alloy was formed with Ni atoms substituting Mo atom in the outermost layer. The subsurface site adsorption was found to be not preferred. Geometric...

Persistent link: https://www.econbiz.de/10004971821

Mechanisms and energetic of atomic processes in surface diffusion

Tsong, Tien T. - In: Physica A: Statistical Mechanics and its Applications 357 (2005) 2, pp. 250-281

Surface diffusion is a subject of basic importance for understanding mass transport phenomena in surface and nano … science. In the particle aspect of surface diffusion of single atoms and simple molecules, information of interest is the … in great detail. Here, methods of studying quantitatively the particle aspect of surface diffusion and how it affects the …

Persistent link: https://www.econbiz.de/10010872505

Collective surface diffusion: An experimentalist's view

Naumovets, A.G. - In: Physica A: Statistical Mechanics and its Applications 357 (2005) 2, pp. 189-215

Surface diffusion (SD) is a really ubiquitous phenomenon playing a highly important part in a wealth of natural and … fast SD occupy major areas in the SD zone. Surface diffusion is of the utmost importance in nano-objects and nanostructures …

Persistent link: https://www.econbiz.de/10011058135

Novel diffusion pathways in low temperature self-organization of nanostructures

Tringides, M.C.; Hupalo, M.; Yakes, M. - In: Physica A: Statistical Mechanics and its Applications 357 (2005) 2, pp. 216-249

Surface diffusion is the key process responsible for mass transport on surfaces. Experiments can be carried out to … measure surface diffusion either under equilibrium or non-equilibrium conditions. Equilibrium experiments can be used to …

Persistent link: https://www.econbiz.de/10011063903

Ordering kinetics of a chemisorbed overlayer: mean field lattice gas model

Hader, A.; Saadouni, K.; Boughaleb, Y. - In: Physica A: Statistical Mechanics and its Applications 342 (2004) 3, pp. 561-569

We investigate the ordering kinetics due to the diffusion of adsorbates atoms on metal surfaces at several coverages and interactions corresponding to single phase region and two-phase coexistence regions. The kinetics is described by the mean field master equation in the context of lattice gas...

Persistent link: https://www.econbiz.de/10010872643