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Subroutine MAP_STEEL_GB_POTENCY
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S.J. Jones* and H.K.D.H. Bhadeshia,
Phase Transformations Group,
Department of Materials Science and Metallurgy,
University of Cambridge,
Cambridge, U.K.
*Dr S.J. Jones is now with Ford Motor Co. (UK) Ltd.
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To calculate the heterogeneous activation energy barrier to nucleation on a
planar grain boundary using classical nucleation theory.
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Language: | FORTRAN
|
Product form: | Source code |
SUBROUTINE MAP_STEEL_GB_POTENCY(GBGMAX1VOL,GMAX1VOL,
& UFAFENERGY,FAFENERGY,AGBENERGY,GBAEB,AEBHOMOG,
& GBFRACHOMAEB)
IMPLICIT NONE
DOUBLE PRECISION GBGMAX1VOL, GMAX1VOL, UFAFENERGY, FAFENERGY,
& AGBENERGY, GBAEB, AEBHOMOG, GBFRACHOMAEB,
& PI, GBRC, GBBETA, GBFUNCBETA, TESTY, GBSIGMA,
& GBFUNCSIGMA, GBVSEG, GBVC3, GBASEG, GBAC2,
& GBAC4, GBAF, NUCSTRAIN1VOL
PARAMETER (PI=3.141592654)
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The activation energy barrier to nucleation on a planar grain boundary is
calculated using classical nucleation theory. The nucleus of the product phase
is assumed to exhibit a low-energy facet with one of the adjacent parent
grains.
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- S.J. Jones, PhD. thesis, University of Cambridge, 1996
- W.C. Johnson, "Influence of Crystallography on Aspects of Solid-solid
Nucleation Theory", Met. Trans., 6A, (1975) 911-919.
- J.W. Christian, "The Theory of Phase Transformations in Metals and Alloys",
Part 1, 2nd ed., Permagon, Oxford, (1965).
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Input parameters
- GBGMAX1VOL - real
- GBGMAX1VOL is the maximum possible thermodynamic driving force for nucleation
local to the boundary, per unit volume (Jm-3).
- GMAX1VOL - real
- GMAX1VOL is the maximum possible thermodynamic driving force for nucleation
remote from the boundary, per unit volume (Jm-3).
- UFAFENERGY - real
- UFAFENERGY is the interfacial energy per unit area at a disordered boundary
between the product and the parent phases (Jm-2).
- FAFENERGY - real
- FAFENERGY is the interfacial energy per unit area at a facetted (coherent)
boundary between the product and the parent phases (Jm-2).
- AGBENERGY - real
- AGBENERGY is the interfacial energy per unit area at the boundary between
two grains of the parent phase (Jm-2).
Output parameters
- GBAEB - real
- GBAEB is the activation energy barrier to nucleation at the planar boundary (J).
- AEBHOMOG - real
- AEBHOMOG is the activation energy barrier to homogeneous nucleation remote from the planar boundary (J).
- GBFRACHOMAEB - real
- GBFRACHOMAEB is the ratio between GBAEB and AEBHOMOG. This is the effective 'shape' factor for
nucleation at the planar boundary.
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- If FAFENERGY is greater than UFAFENERGY then an error is reported and the
program execution is stopped.
- If the absolute value of TESTY is greater than unity then an error is
reported and the program execution is stopped.
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No information supplied.
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None.
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1. Program text
IMPLICIT DOUBLE PRECISION(A-H,K-Z), INTEGER(I-J)
READ(*,*) GBGMAX1VOL,GMAX1VOL,UFAFENERGY,
& FAFENERGY,AGBENERGY
CALL MAP_STEEL_GB_POTENCY(GBGMAX1VOL,GMAX1VOL,
& UFAFENERGY,FAFENERGY,AGBENERGY,GBAEB,AEBHOMOG,
& GBFRACHOMAEB)
WRITE(*,10) GBAEB,AEBHOMOG,GBFRACHOMAEB
10 FORMAT (E10.3,1X,E10.3,1X,E10.3)
STOP
END
2. Program data
-0.260E7 -0.260E7 0.500E-1 0.363E-1 0.708E-1
3. Program results
0.199E-16 0.310E-15 0.643E-1
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None.
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activation, energy, barrier, nucleation, classical, planar, boundary, substrate, facet, coherent, heterogeneous, homogeneous
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Download source code
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