A THERMODYNAMIC MODEL OF GRAIN BOUNDARY SEGREGATION FOR ATOMISTIC CALCULATIONS
نویسندگان
چکیده
منابع مشابه
Atomistic simulation of slow grain boundary motion.
Existing atomistic simulation techniques to study grain boundary motion are usually limited to either high velocities or temperatures and are difficult to compare to realistic experimental conditions. Here we introduce an adapted simulation method that can access boundary velocities in the experimental range and extract mobilities in the zero driving force limit at temperatures as low as ∼0.2T(...
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Chemical composition of interfaces—free surfaces and grain boundaries—is generally described by the Langmuir–McLean segregation isotherm controlled by Gibbs energy of segregation. Various components of the Gibbs energy of segregation, the standard and the excess ones as well as other thermodynamic state functions—enthalpy, entropy and volume—of interfacial segregation are derived and their phys...
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Grain boundary segregation in oxide ceramics
D PR O Abstract The factors which control grain boundary segregation in oxide ceramics are reviewed. These include grain boundary energy, cation–cation interactions, impurity cation size, as well as electrostatic interactions with the grain boundary space charge. In addition, an approach for measuring grain boundary segregation in those materials, as a function of the five macroscopic parameter...
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ژورنال
عنوان ژورنال: Le Journal de Physique Colloques
سال: 1990
ISSN: 0449-1947
DOI: 10.1051/jphyscol:1990146