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In the most favorable case, their motivation to take part is image, the fee for every calculated case, or the wish to compare themselves with a nationwide benchmark, and thus the use of the calculation for internal management decisions.
This method is based on the control vector parameterization approach and makes use of the calculation of first and second order sensitivities to obtained exact gradient and projected Hessian information.
In the present work, we demonstrate the use of the CALculation of PHAse Diagrams (CALPHAD) approach to predict HEA stability and processing parameters, comparing experimental long-term annealing observations to CALPHAD phase diagrams from a commercially-available HEA database.
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We have also given some suggestions and methods for improving the practical use of the calculations in research.
Table 1 describes quantification of 32 metabolites detectable in media samples as well as the chemical shifts and assignment of signals used for the calculation of concentrations.
Formula of Schoenfeld [ 14] used for the calculation of the number of events.
Data points of the 10 90% interpercentile range of CHAC1 were used for the calculation of Supplementary Figure 1.
Whenever available, measured thermodynamic values of canonical stems are used for the calculation of measured thermodynamic parameters of loops.
Formula of Schoenfeld [ 20, 21] used for the calculation of the number of accumulated events.
Peng Robinson equation of state is used for the calculation of fugacity.
The unadjusted RR of 1.45 was used for the calculation of PSA-induced excess registration.
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