MACKSIM(ID:7894/)simulation language from Canadian Atomic Energy Agency References: We now use FACSIMILE version H012 (AEA Technology, U.K.) to run the simulations. Previously, we used MACKSIM (Atomic Energy of Canada). MACKSIM computes the chemical changes due to radiolysis and we used these changes to manually calculate the heat defect. The MACKSIM output contains the rounded-off values of the simulation and, if the change in the concentration of a species was small compared to its initial concentration, approximations had to be made to the output values in order to calculate the heat defect. FACSIMILE computes both the heat defect and the chemical changes using its full precision. The heat defects calculated by FACSIMILE and MACKSIM for common irradiation conditions at 4 C and 21 C never differed by more than 0.2 %. |