Comparision of Miedema and ZSL Model

Miedema Calculator LICENSE

Miedema Calculator LICENSE
Copyright (C) 2009, R. F. Zhang
This software (designed by R. F. Zhang, S. H. Sheng and B. X. Liu) is distributed free of charge for academic, scientific, educational, and noncommercial users.
Users belonging to commercial enterprises may also use this software at no cost until a license for business users is established.
Permission to use this software is hereby granted under the following conditions:
1) This software is an intergrated software package of Miedema Calculator. You must agree to all the terms of its license agreement.
2) The results produced by Miedema Calculator may be used in any publications provided that A suitable reference for Miedema calculator is used:
Please Refer to the Following Publications:
0——-> [1] A.R. Miedema, A.K. Niessen, F.R. de Boer, R. Boom, W.C.M. Matten, Cohesion in Metals:
1————>Transition Metal Alloys, North-Holland, Amsterdam, 1989.

2——-> [2] R.F. Zhang, and B.X. Liu, Applied Physics Letters 81, 1219 (2002).

3——-> [3] R.F. Zhang, and B.X. Liu, Philosophical Magazine Letters, 85 (2005) 283.
4——-> [4] R.F. Zhang, S.H. Sheng, and B.X. Liu, Chemical Physics Letters 442, 511 (2007).

If you only use the results from ZSL model, please cite the [2] [3] [4] at least.

3) You should not redistribute any copy of the distributed files unless you have a written permission from us.

4) Part of these terms may be changed without any prior announcement.
5) This software is provided “as is” without any express or implied warranty.

User Guide of Miedema Calculator

First, to choose two elements A and B from the ListBox;
Second, to choose the composition or input your composition values in the ListBox;
Third, to choose the source of database (Mied89 or ZSL07) by clicking one CheckBox (or using Menu “Database->Mied89 or ZSL07”) ;
Fourth, to push “Disp_Para” button (or use Menu “Function->Display Parameters”) to show the parameters used for calculation and the physical properties of the elements selected,
Finally, to push “Perf_Calc” button (or use Menu “Function->Perform calculation”) to show the calculated formation enthalpy, atomic size difference factor, Gamma parameter and solution enthalpy.
In addition,
To choose Menu “Control->Read mode” to read the parameters for calculation of standard formation enthalpy,
To choose Menu “Control->Input mode” to input the parameters in the Edit boxes for calculation of standard formation enthalpy.
To choose Menu “Function->Periodic table” to show the elemental properties stored in the database.

Introduction of Miedema Calculator

Miedema Calculator is a user-interface program, which is designed by R. F. Zhang, S. H. Sheng and B. X. Liu, for calculating the formation enthalpy (energy) of alloy based on the Miedema’s theory and its derived model by Zhang et al.
The name of the software comes from the name of the Famous Scientist Andries Miedema. In memory of his great contribution to the empirical thermodynamical model of cohesion in metals, we name this software as “Miedema Calculator”.
1) Display the model parameters and the elemental properties of elements in Periodic Table;
2) Perform the iteration calculation of formation enthalpy of intermetallic compound consisting of one transition metal;
3) Calculate the composition-dependent atomic size difference factor.
4) Calculate the Gamma parameter and the solution enthalpy of a binary alloy system.
5) Calculate the the elastic mismatch enthalpy in a dilute solid solution.
6) Calculate the the chemical enthalpy in a dilute solid solution.
7) Calculate the the volume change during alloying in a dilute solid solution.
8) Calculate the the formation enthalpy of statistical solid solution phase.
9) Calculate the the formation enthalpy of amorphous phase.
10) The input mode in control menu allow user to input/modify the parameters to do calculations of standard formation enthalpy.
Miedema Calculator runs on Windows. The best choice to run Miedema Calculator is the screen resolution of 1024*768.
It is contributed free of charge for non-commercial users.
The current version 3.5 is valid for binary transition metal alloy system and the alloy systems consisted of at least one transition metal! The application for binary systems consisting of two non-transition metals must be in caution as suggested by Miedema et al.

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