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  • Articles: DFG German National Licenses  (3)
  • 1995-1999  (3)
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  • Articles: DFG German National Licenses  (3)
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  • 1
    Electronic Resource
    Electronic Resource
    Investigation of the uniqueness of the reverse Monte Carlo method: Studies on liquid water (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 105 (1996), S. 245-254 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Reverse Monte Carlo (RMC) simulation of liquid water has been performed on the basis of experimental partial pair correlation functions. The resulted configurations were analyzed in various aspects; the hydrogen bond angle distribution, three body correlation and orientational correlation were calculated. The question of the uniqueness of the RMC method was also examined. In order to do this, two conventional computer simulations of liquid water with different potential models were performed, and the resulted pair correlation function sets were fitted by RMC simulations. The resulted configurations were then compared to the original configurations to study how the RMC method can reproduce the original structure. We showed that the configurations produced by the RMC method are not uniquely related to the pair correlation functions even if the interactions in the original system were pairwise additive. Therefore the difference between the original simulated and the RMC configurations can be a measure of the uncertainty of the RMC results on real water. We found that RMC produces less ordered structure than the original one from various aspects. However, the orientational correlations were reproduced rather successfully. The RMC method exaggerates the amount of the close packed patches in the structure, although these patches certainly exist in liquid water. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.471870
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Corrosion and inhibition of copper in different electrolyte solutions (1998)
    Springer
    Applied physics 66 (1998), S. S545 
    Details
    ISSN: 1432-0630
    Keywords: PACS: 07.80; 82.45; 82.65
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: 2 SO4 at pH≈3, respectively, were studied. The corrosion and inhibition processes were monitored by in-situ atomic force microscopy, and morphological changes on the electrode surface were registered. The p-Cl-BHA greatly enhanced the resistance of copper to pitting corrosion in an aqueous solution containing chloride ions. This effect is attributed to the formation of a continuous protective chemisorbed layer on the corroding metallic surface through which Cu2O will be stabilized. The DBSO, because of its adsorption and conversion to a more stable, less soluble sulphide compound, greatly hindered the copper corrosion in the sulphate-containing solutions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s003390051199
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Microbially influenced corrosion visualized by atomic force microscopy (1998)
    Springer
    Applied physics 66 (1998), S. S639 
    Details
    ISSN: 1432-0630
    Keywords: PACS: 07.80, 81.60
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s003390051215
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    Paper (German National Licenses)
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