Prediction of glass structure by using multiple regression analysis

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Multiple regression analyses were applied to the prediction of glass structures, such as O 1s binding energy and fraction of four-fold coordinated boron atoms, N4. In the case of linear combination of the content of glass constituents, an acceptable prediction accuracy was obtained for O 1s binding energy, and as for N4, however, a poor agreement was observed between the prediction and measurement. After introducing quadratic and cubic interaction terms into the regression formula, a drastic improvement was achieved in the prediction of N4. Some regression coefficients were dependent on basicity of each glass constituent, suggesting the feasibility of prediction for the glasses containing novel constituents whose regression parameters have never been determined.

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