Influence of the model parameters on the Monte Carlo simulation of the initial aggregation of point defects in solids

Schmidt, R.; Berg, Gunnar

doi:10.1002/crat.2170250915

Cited by 4 publications

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“…In MONTE-CARL0 studies [19] it was found that the interaction between the aggregation and dissolution rate directly corresponds to this critical size. When the dissolution rate increases, the cluster sue also increases.…”

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Aggregation kinetics of saccharomyces cerevisiae on solid surfaces

Schmidt

1992

Acta Biotechnologica

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In the colonization experiments of yeast cells on stainless steel surfaces the analyzed minimum of the colonization rate was found in a roughness interval between a highly polished sample and a very rough surface. This phenomenon is a problem of the shear forces and of adhesion.On the basis of reaction kinetics it was possible to analyze the change between an unstable and a stable cell-cluster. The analysis of the energy needed for forming a stable cluster tends toward values known from the stochastic simulation of cluster formation in an undisturbed region. But the potential function is not clear which describes the interactions between the cells and the forming cluster in the reaction field. This is a problem of special materials-testing which is not established. For producing plants it is of high interest to note that it are not the most highly polished surfaces that are the best.

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“…Kinetic functionIn (A,, -A/&) = f(t) for different roughnesses A -R, = 6pm 0 -R, = 3pm--R, -+ 0 pm (determined by extraNumber of single cells in a cluster of critical size in dependence on the roughness R, calculated by the relation(19) …”

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Aggregation kinetics of saccharomyces cerevisiae on solid surfaces

Schmidt

1992

Acta Biotechnologica

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Mikrobielle Werkstoffzerstörung – Grundlagen: Mathematische Modellierung von Zerstörungsmechanismen

Schmidt¹

1994

Materials & Corrosion

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Die moderne Entwicklung der Werkstoffwissenschaft bedingt einen Wandel in dcn Mcthoden und Strategien. Es wird angestrebt, die an und im Festkiirper ablaufenden Reaktionen in Form von Modellen zu beschreiben. Gcgenwartig gelingt es aber nur, aus cxperimentellen Untersuchungen rnathematischc Zusammenhange abzuleiten, womit eine Vorhersage des Werkstoffverhaltens rnit theoretischen Mitteln nicht gclingt. Ausgehend von den drei Erkenntnisstufen zur Beschreibung des Werkstoffverhaltens, den Faustregcln, ciner Auswcrtung von Experimcntcn mit statistischen Methoden, hierzu gehoren auch reaktionskinetische Modellansatze, und der Entwicklung physikalischer Modelle, u.a. Monte-Carlo-Simulationen, werdcn diese insbesondere fur dic ,,Vorstufe" der biokorrosiven Schadigung vorgestellt, der Biofilmbildung. Nur pysikalische Modelle errnoglichen die ,Yomussage" von Reaktionsablaufen, wobei infolge der Unkenntnis der Verteilungen fur die wirkenden Encrgicn und deren miiglichen Fluktuationen eine vom Experiment getrennte Voraussage nicht moglich ist. In einem Uberblick wird dariiber hinaus auch auf die Beschrcibung von Korrosionsreaktionen und das RiBwachstum eingegangen. Ein generelles Problem, insbesondere im Zusammenhang rnit biologischen Reaktionsablaufen, stellt dic nicht fachgrenzeniibergreifende Ausbildung von Naturwissenschaftlcrn und Ingenicurcn dar.Modern trends in materials science require novel methods and strategies. The gencral aim is to describe by models the reactions occurring at the surface and within a solid. At the present time, however. it is only possible to derive, from thc expcrirnental work, mathematical relations, and this is not sufficient for a prediction of matcrials behaviour. On the basis of the three steps involved in the description of materials behaviour, i. e. rules of thumb, statistical evaluation of experimental data (including models developed for thc presentation of reaction kinetics), and development of physical models (among others Monte Carlo simulations), these three steps and, in particular, the preliminary step of biocorrosion, i. e. biolilm formation, are discussed. Only physical models allow a prediction of rcactions, although a prediction independent from experiment is not possible because of the unknown distributions of the acting energies and their possible fluctuations. Beyond that an outline is given of the description of corrosion reactions and crack propagation. A general problem, in particular in connection with biological reactions, is the lack of interdisciplinary education of scientists and cnginccrs.

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Mathematical Modeling of Destruction Mechanisms and Biofilm Reactions

Schmidt¹

1996

Microbially Influenced Corrosion of Materials

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Influence of the model parameters on the Monte Carlo simulation of the initial aggregation of point defects in solids

Cited by 4 publications

References 10 publications

Aggregation kinetics of saccharomyces cerevisiae on solid surfaces

Aggregation kinetics of saccharomyces cerevisiae on solid surfaces

Mikrobielle Werkstoffzerstörung – Grundlagen: Mathematische Modellierung von Zerstörungsmechanismen

Mathematical Modeling of Destruction Mechanisms and Biofilm Reactions

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