Simulations of initial stages of boron deposition on (1 1 0) tungsten surface

Simon Dorfman; Ronan R. Braga; Kleber C. Mundim; David Fuks

doi:10.1016/j.susc.2004.05.128

Simulations of initial stages of boron deposition on (1 1 0) tungsten surface

Simon Dorfman, Ronan R. Braga, Kleber C. Mundim, David Fuks

Department of Materials Engineering

Research output: Contribution to journal › Conference article › peer-review

3 Scopus citations

Abstract

Non-empirical potentials are employed in atomistic simulations of the deposition process of boron on tungsten (110) surface in the framework of the generalized simulation annealing formalism. A comparative analysis of the fine atomic structure in the vicinity of the surface clears up the behavior of the system in the simulated deposition process. Existence of a number of energy barriers in the adhesion path of the boron atom demonstrates the dependence of adhesion conditions on the energy of the atom approaching the surface. This result also shows that the conditions of the metalloid adhesion are influenced by the directional bonding nature and the structural reconstruction of the substrate surface.

Original language	English
Pages (from-to)	676-682
Number of pages	7
Journal	Surface Science
Volume	566-568
Issue number	1-3 PART 2
DOIs	https://doi.org/10.1016/j.susc.2004.05.128
State	Published - 20 Sep 2004
Event	Proceedings of the 22nd European Conference on Surface Science - Prague, Czech Republic Duration: 7 Sep 2003 → 12 Sep 2003

Keywords

Adhesion
Adsorption kinetics
Boron
Monte Carlo simulations
Tungsten

ASJC Scopus subject areas

Condensed Matter Physics
Surfaces and Interfaces
Surfaces, Coatings and Films
Materials Chemistry

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10.1016/j.susc.2004.05.128

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title = "Simulations of initial stages of boron deposition on (1 1 0) tungsten surface",

abstract = "Non-empirical potentials are employed in atomistic simulations of the deposition process of boron on tungsten (110) surface in the framework of the generalized simulation annealing formalism. A comparative analysis of the fine atomic structure in the vicinity of the surface clears up the behavior of the system in the simulated deposition process. Existence of a number of energy barriers in the adhesion path of the boron atom demonstrates the dependence of adhesion conditions on the energy of the atom approaching the surface. This result also shows that the conditions of the metalloid adhesion are influenced by the directional bonding nature and the structural reconstruction of the substrate surface.",

keywords = "Adhesion, Adsorption kinetics, Boron, Monte Carlo simulations, Tungsten",

author = "Simon Dorfman and Braga, {Ronan R.} and Mundim, {Kleber C.} and David Fuks",

note = "Funding Information: S.D. acknowledges the support of the Israel Ministry of Absorption by the “KAMEA” program and CNPq. S.D. was also supported by the Low Saxony Ministry of Science and Arts.; Proceedings of the 22nd European Conference on Surface Science ; Conference date: 07-09-2003 Through 12-09-2003",

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doi = "10.1016/j.susc.2004.05.128",

language = "English",

volume = "566-568",

pages = "676--682",

journal = "Surface Science",

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TY - JOUR

T1 - Simulations of initial stages of boron deposition on (1 1 0) tungsten surface

AU - Dorfman, Simon

AU - Braga, Ronan R.

AU - Mundim, Kleber C.

AU - Fuks, David

N1 - Funding Information: S.D. acknowledges the support of the Israel Ministry of Absorption by the “KAMEA” program and CNPq. S.D. was also supported by the Low Saxony Ministry of Science and Arts.

PY - 2004/9/20

Y1 - 2004/9/20

N2 - Non-empirical potentials are employed in atomistic simulations of the deposition process of boron on tungsten (110) surface in the framework of the generalized simulation annealing formalism. A comparative analysis of the fine atomic structure in the vicinity of the surface clears up the behavior of the system in the simulated deposition process. Existence of a number of energy barriers in the adhesion path of the boron atom demonstrates the dependence of adhesion conditions on the energy of the atom approaching the surface. This result also shows that the conditions of the metalloid adhesion are influenced by the directional bonding nature and the structural reconstruction of the substrate surface.

AB - Non-empirical potentials are employed in atomistic simulations of the deposition process of boron on tungsten (110) surface in the framework of the generalized simulation annealing formalism. A comparative analysis of the fine atomic structure in the vicinity of the surface clears up the behavior of the system in the simulated deposition process. Existence of a number of energy barriers in the adhesion path of the boron atom demonstrates the dependence of adhesion conditions on the energy of the atom approaching the surface. This result also shows that the conditions of the metalloid adhesion are influenced by the directional bonding nature and the structural reconstruction of the substrate surface.

KW - Adhesion

KW - Adsorption kinetics

KW - Boron

KW - Monte Carlo simulations

KW - Tungsten

UR - http://www.scopus.com/inward/record.url?scp=4544233679&partnerID=8YFLogxK

U2 - 10.1016/j.susc.2004.05.128

DO - 10.1016/j.susc.2004.05.128

M3 - Conference article

AN - SCOPUS:4544233679

SN - 0039-6028

VL - 566-568

SP - 676

EP - 682

JO - Surface Science

JF - Surface Science

IS - 1-3 PART 2

T2 - Proceedings of the 22nd European Conference on Surface Science

Y2 - 7 September 2003 through 12 September 2003

ER -

Simulations of initial stages of boron deposition on (1 1 0) tungsten surface

Abstract

Keywords

ASJC Scopus subject areas

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