$**************************************************************************
$
$ mc_mo_v2.04.ddb
$
$************RELEASE VERSION***********************************************
$
$ MatCalc mobility diffusion database for Mo-base alloys, created 2018-09-28
$ update 2020 - Ti implemented.
$ Release 14.9.2023 by MatCalc Engineering GmbH.
$ Corr O diff in Fe 4.10.2023
$
$ This database contains a selection of published parameters 
$ as well as newly assessed data.
$ 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_mo_v2.03.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 elements
$
$***************************************************************************

$ elements are defined in the thermodynamic setup ...
$ nothing to do here

$***************************************************************************
$
$ MatCalc specific commands
$
$***************************************************************************

$ none

$***************************************************************************
$
$ Definition of elementary functions
$
$***************************************************************************

$ activation enthalpy and frequency factor, molybdenum 
FUNCTION QMO_BCC 273.00  +479740.87; 6000.00  N
REF:3 !
FUNCTION D0MO_BCC 273.00  +0.000455; 6000.00  N
REF:3 !

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

$##########################################################################
$                  PHASE:  B C C
$##########################################################################

$ ********************************************************************
$                              B - Boron
$ ********************************************************************

$ Default: Impurity diffusion of B in Mo

PARAMETER MQ(BCC_A2&B,*) 273.00  -169000; 6000.00  N
Ref:pov12 !
PARAMETER MF(BCC_A2&B,*) 273.00  +R*T*LN(3E-6); 6000.00  N
Ref:pov12 !

$ ********************************************************************
$                              C - Carbon
$ ********************************************************************

$ Default: Impurity diffusion of C in Mo

PARAMETER MQ(BCC_A2&C,*) 273.00  -60000; 6000.00  N
Ref:5 !
PARAMETER MF(BCC_A2&C,*) 273.00  +R*T*LN(0.026); 6000.00  N
Ref:5 !

$ -------------------------------------
$ explicit parameters for C diffusion
$ -------------------------------------

$ ********************************************************************
$                              HF - Hafnium
$ ********************************************************************

$ Default: Impurity diffusion of Hf in Mo

PARAMETER MQ(BCC_A2&HF,*) 273.00  -QMO_BCC; 6000.00  N
Ref:pov10 !
PARAMETER MF(BCC_A2&HF,*) 273.00  +R*T*LN(20*D0MO_BCC); 6000.00  N
Ref:pov10 !

$ -------------------------------------
$ explicit parameters for Hf diffusion
$ -------------------------------------

$ ********************************************************************
$                              MO - Molybdenum
$ ********************************************************************

$ Default: Mo self diffusion 

PARAMETER MQ(BCC_A2&MO,*) 273.00  -QMO_BCC; 6000.00  N
Ref:pov10 !
PARAMETER MF(BCC_A2&MO,*) 273.00  +R*T*LN(1.0*D0MO_BCC); 6000.00  N
Ref:pov10 !

$ -------------------------------------
$ explicit parameters for Mo diffusion
$ -------------------------------------

$ ********************************************************************
$                              O - OXYGEN
$ ********************************************************************

$ Default value: Impurity diffusion of O in Mo.

PARAMETER MQ(BCC_A2&O,*) 273.00  -130000; 6000.00  N
Ref:4 !
PARAMETER MF(BCC_A2&O,*) 273.00  +R*T*LN(3e-6); 6000.00  N
Ref:4 !

$ -------------------------------------
$ explicit parameters for O diffusion
$ -------------------------------------

$ ********************************************************************
$                              TI - Titanium
$ ********************************************************************

$ Default: Impurity diffusion of Hf in Mo

PARAMETER MQ(BCC_A2&TI,*) 273.00  -QMO_BCC; 6000.00  N
Ref:pov20 !
PARAMETER MF(BCC_A2&TI,*) 273.00  +R*T*LN(20*D0MO_BCC); 6000.00  N
Ref:pov20 !

$ -------------------------------------
$ explicit parameters for Ti diffusion
$ -------------------------------------


$**************************************************************************
$
$ References
$
$**************************************************************************

LIST_OF_REFERENCES

D0022-3  Y. Liu, L. Zhang, D. Yu, 
           Computational study of mobilities and diffusivities in bcc Ti-Zr and bcc Ti-Mo alloys, 
           J. Phase Equilib. Diff. 30(2009)334-344.   
00000-4  D. Bergner, Krist. Tech., Vol. 7, 651, 1972.     
00000-5  G.V. Samsonov, V.P. Latysheva, Fiz. Metal. i Metalloved., 2(1957).  

pov10  unpublished assessments, E. Povoden-Karadeniz 2010
pov12  unpublished assessments, E. Povoden-Karadeniz 2012
pov20  unpublished assessments, E. Povoden-Karadeniz 2020