Surface composition and surface cluster size distribution of Cu-Ni alloys via a monte carlo method

Donnelly, R.G.; King, T.S.

doi:10.1016/0039-6028(78)90274-1

Cited by 88 publications

(9 citation statements)

References 24 publications

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“…This means that the Cu concentration at the surface is always higher than that of the bulk. Our results are also in agreement with the Monte Carlo calculations (Donnelly and King 1978) which have emphasised the effects of the temperature and the surface orientation on the surface composition. In our calculations, however, the anisotropy has less pronounced effects on the surface segregation than it has in the calculations of Donnelly and King (1978).…”

Section: Surface Composition Of Cuni Ulloys In Equilibriumsupporting

confidence: 90%

Interferometry of KrF-Laser-Produced Plasma by Shortened Stokes Pulse

Takahashi¹,

Matsushima²,

Yashiro³

et al. 1995

Jpn. J. Appl. Phys.

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The electronic surface densities of states of CuNi alloys have been computed in the tight-binding approximation using the moments method. The results are given for (Ool), (110) and (111) surfaces. An electronic model of the surface segregation is then proposed. In this model, the segregation internal energy is deduced from the densities of states. In a first step, the model is analysed within a two-moment theory in which the electronic correlation effects are shown. The theory is in good agreement with existing data on surface segregation in dilute transition metal alloys. Finally, the surface composition of CuNi alloys is computed and is compared with experimental results.

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Section: Surface Composition Of Cuni Ulloys In Equilibriumsupporting

confidence: 90%

Interferometry of KrF-Laser-Produced Plasma by Shortened Stokes Pulse

Takahashi¹,

Matsushima²,

Yashiro³

et al. 1995

Jpn. J. Appl. Phys.

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“…de Monte Carlo [1][2][3]. Nous nous sommes toujours limitds a des applications haute temp6rature par rapport a d'6ventuels points critiques.…”

Section: Aspects Générauxunclassified

Etude de la ségrégation superficielle dans les alliages de substitution par la méthode de Monte Carlo. I. Aspects généraux

Arroyo

Joud

1987

J. Phys. France

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L'étude de la ségrégation de surface dans des alliages de substitution est abordée par la méthode de Monte Carlo. Dans un premier temps nous traitons le cas d'une chaîne linéaire ouverte à deux composants afin de comparer les résultats fournis par la simulation à ceux issus de traitements exacts. Le cas d'un cristal semiinfini d'un alliage binaire est ensuite abordé. Les facteurs influençant la distribution de taille des amas de surface sont analysés. De même le choix d'un modèle énergétique et ses conséquences sur la ségrégation sont rapidement discutés. Abstract. 2014 The study of surface segregation in substitutional alloys is approached by Monte Carlo simulation. First, we study a linear open chain of two components in order to compare the results given by simulation with those given by an exact treatment. Then we discuss the surface segregation of a semi-infinite crystal of a binary alloy and, in particular, the factors responsible for the size distribution of surface clusters. Finally the choice of an energetic model is briefly discussed with respect to surface segregation.

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“…In fact, it has been assumed that the bond strengths are related to the number of nearest neighbours of an atom, and hence, the strengths differ at the surface from that in the bulk [25]. This assumed connection between the surface relaxation and the number of nearest neighbours of atom possibly informed the reason why Prasad and Singh [19] and Novakovic et al [26] independently suggested that the m and q which are the fractions of the total next neighbour contacts made by a molecule within its own layer and that in either adjoining layer usually taken as m ¼ 0.5 and q ¼ 0.25 be treated as parameters in view of the disordered structure and relaxation effects.…”

Section: Introductionmentioning

confidence: 99%

Effects of surface coordination of atoms on the surface properties of some liquid binary alloys

Awe

Onifade

2012

Physics and Chemistry of Liquids

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We have investigated the effects of surface coordination of atoms on the surface properties of six binary liquid alloys by varying their surface coordination fractions using two statistical mechanics models. We observed that while the assumption of close-packed surface does not have any significant effect on the calculation of both surface tension and surface concentration of four of the alloys, it does have significant effects on the remaining two. The computation of the concentration fluctuations at the surface revealed that it is sensitive to the surface coordination fractions of both the chemically ordered systems and the segregating systems. In all the six alloys we found that the computation of the Warren-Cowley shortrange order parameter is influenced by the surface coordination fractions.

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Surface composition and surface cluster size distribution of Cu-Ni alloys via a monte carlo method

Cited by 88 publications

References 24 publications

Interferometry of KrF-Laser-Produced Plasma by Shortened Stokes Pulse

Interferometry of KrF-Laser-Produced Plasma by Shortened Stokes Pulse

Etude de la ségrégation superficielle dans les alliages de substitution par la méthode de Monte Carlo. I. Aspects généraux

Effects of surface coordination of atoms on the surface properties of some liquid binary alloys

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