$**************************************************************************
$
$ mc_mg_v2.02.ddb
$
$************RELEASE VERSION***********************************************
$
$ MatCalc mobility diffusion database for magnesium alloys

$ Created 2023-11-11
$ Released November 2023 by MatCalc Engineering GmbH.
$
$ This database contains a selection of assessed data
$ for the diffusion in Mg-Al-Ca-Mn-Si-Sr-Zn-Zr-Y-Ba alloys.
$ Parameters have been assessed at TU Wien by Povoden-Karadeniz Erwin
$
$ #########################################################################
$
$ use with MatCalc version 6.00 or higher
$
$ #########################################################################
$ 
$ Copyright holder and editor: Erwin Povoden-Karadeniz 
$ (erwin.povoden-karadeniz@tuwien.ac.at)
$
$ This database mc_mg_v2.02.ddb is made available under the 
$ Open Database License: http://opendatacommons.org/licenses/odbl/1.0/. 
$ Any rights in individual contents of the database are licensed under the 
$ Database Contents License: http://opendatacommons.org/licenses/dbcl/1.0/. 
$
$ #########################################################################
$
$**************************************************************************
$
$ Definition of elementary functions
$
$**************************************************************************

$ activation energy and frequency factor for hcp Mg 
FUNCTION QMG_HCP 273.00 +127600; 6000.00 N
REF:pov11 !
FUNCTION D0MG_HCP 273.00 +2e-5; 6000.00  N
REF:pov11 !

$ activation energy and frequency factor for hcp Zn 
FUNCTION QZN_HCP 273.00 +86840; 6000.00  N
REF:pov11 !
FUNCTION D0ZN_HCP 273.00 +4E-6; 6000.00  N
REF:pov11 !

$##########################################################################
$                  D I F F U S I O N     D A T A
$##########################################################################

$ ********************************************************************
$                              AL - Aluminum
$ ********************************************************************

$ Default value: Al impurity diffusion in Mg hcp.

PARAMETER MQ(HCP_A3&AL,*) 273.00 -127600+R*T*LN(0.5*D0MG_HCP); 6000.00  N       
Ref:pov14 !

$ -------------------------------------
$ explicit parameters for Al diffusion
$ -------------------------------------

PARAMETER MQ(HCP_A3&AL,MG:*) 273.00 -127600+R*T*LN(0.5*D0MG_HCP); 6000.00  N
Ref:pov14 !

$ ********************************************************************
$                              BA - Barium
$ ********************************************************************

$ Default value: Sr impurity diffusion in Mg hcp.
$ Assume same diffusivity as Sr.

PARAMETER MQ(HCP_A3&BA,*) 273.00 -99000+R*T*LN(0.000015); 6000.00  N       
Ref:pov23 !

$ -------------------------------------
$ explicit parameters for Ba diffusion
$ -------------------------------------

$ ********************************************************************
$                              CA - Calcium
$ ********************************************************************

$ Default value: Ca impurity diffusion in Mg hcp.

PARAMETER MQ(HCP_A3&CA,*) 273.00 -118000+R*T*LN(0.0004); 6000.00  N       
Ref:pov23 !

$ -------------------------------------
$ explicit parameters for Ca diffusion
$ -------------------------------------

$ ********************************************************************
$                              MG - Magnesium
$ ********************************************************************

$ Default value: Mg self diffusion in Mg hcp.

PARAMETER MQ(HCP_A3&MG,*) 273.00 -QMG_HCP+R*T*LN(D0MG_HCP); 6000.00  N       
Ref:pov11 !

$ ********************************************************************
$                              MN - Manganese
$ ********************************************************************

$ Default value: Mn impurity diffusion in Mg hcp.

PARAMETER MQ(HCP_A3&MN,*) 273.00 -156000+R*T*LN(1e-4); 6000.00  N       
Ref:pov14 !

$ -------------------------------------
$ explicit parameters for Mn diffusion
$ -------------------------------------

PARAMETER MQ(HCP_A3&MN,MG:*) 273.00 -156000+R*T*LN(1e-4); 6000.00  N
Ref:pov14 !

$ ********************************************************************
$                            SI - Silicon
$ ********************************************************************

$ Default value: MSi tracer diffusion in Mg hcp.

PARAMETER MQ(HCP_A3&SI,*) 273.00 -141700+R*T*LN(0.00005175); 6000.00  N       
Ref:pov23 !

$ ********************************************************************
$                              SR - Strontium
$ ********************************************************************

$ Default value: Sr impurity diffusion in Mg hcp.

PARAMETER MQ(HCP_A3&SR,*) 273.00 -99000+R*T*LN(0.000015); 6000.00  N       
Ref:pov23 !

$ -------------------------------------
$ explicit parameters for Sr diffusion
$ -------------------------------------

$ ********************************************************************
$                              Y - Yttrium
$ ********************************************************************

$ Default value: Y impurity diffusion in Mg hcp.

PARAMETER MQ(HCP_A3&Y,*) 273.00 -120800+R*T*LN(0.0000087); 6000.00  N       
Ref:pov23 !

$ -------------------------------------
$ explicit parameters for Y diffusion
$ -------------------------------------

$ ********************************************************************
$                              ZN - Zinc
$ ********************************************************************

$ Default value: Zn impurity diffusion in Mg hcp.

PARAMETER MQ(HCP_A3&ZN,*) 273.00 -127600+R*T*LN(5*D0MG_HCP); 6000.00  N       
Ref:pov15 !

$ -------------------------------------
$ explicit parameters for Zn diffusion
$ -------------------------------------

PARAMETER MQ(HCP_A3&ZN,MG:*) 273.00 -127600+R*T*LN(5*D0MG_HCP); 6000.00  N
Ref:pov15 !

PARAMETER MQ(HCP_A3&ZN,ZN:*) 273.00 -QZN_HCP+R*T*LN(D0ZN_HCP); 6000.00  N
Ref:pov11 !

$ ********************************************************************
$                              ZR - Zirconium
$ ********************************************************************

$ Default value: Zr impurity diffusion in Mg hcp.

PARAMETER MQ(HCP_A3&ZR,*) 273.00 -190000+R*T*LN(0.00002); 6000.00  N       
Ref:pov23 !

$ -------------------------------------
$ explicit parameters for Zr diffusion
$ -------------------------------------


$ -------------------------------------------------------------------------

$ References

pov11  E. Povoden-Karadeniz, unpublished assessment from open literature data (2011).
pov14  E. Povoden-Karadeniz, unpublished assessment from open literature data (2014).
pov15  E. Povoden-Karadeniz, unpublished assessment from open literature data (2015)
pov23  E. Povoden-Karadeniz, unpublished assessment from open literature data (2023).