Exact(10)
The statistical mechanics of atomic defects in ordered compounds is discussed within the framework of a generalized grandcanonical ensemble.
Here we introduce a simple means of capturing the multi-body terms needed to treat ordered compounds in a lattice model based on defining "compound units".
A special attention has been given to the ordered compounds with structural description and relation to the parent binary and ternary compounds.
A statistical model of point-defect disorder in ordered compounds is presented and applied to Ti3Al and TiAl using input data generated with embedded-atom potentials.
The aim of this work is to give the independent-point-defect thermodynamics of ordered compounds a sufficiently general flavour, adapted to and working for multicomponent alloys.
Site substitution of ternary elements in ordered compounds influences the electronic structure and hence the properties of compounds at the continuous level.
Similar(50)
The formation of an ordered compound at the GB dislocation core strongly supports the hypothesis that a reduced creep rate results from a decrease in dislocation mobility during GB sliding.
We illustrate this analysis by computing the harmonic, dilational, and anharmonic contributions to the entropy, internal energy, and free energy of elemental aluminum and the ordered compound [Formula: see text] over a wide range of temperature.
Inelastic neutron scattering and nuclear resonant inelastic x-ray scattering were used to measure phonon spectra of FeV as a B2 ordered compound and as a bcc solid solution.
Particular attention was paid to ordering compounds with mixed functional property groups.
These results indicate that only KPLS was capable of correctly rank ordering compounds in this prospective data set; the other models mispredicted the order.
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