paraequilibrium/nple
Posted: Thu Jul 02, 2009 11:46 am
Hi all,
since the end of 2008, a new paraequilibrium and nple mode is available. It can be used for the redistribution of elements which a diffusion length which is much smaller than the interface thickness. Using standard interactions, MICRESS would predict a growth mode which lies between paraequilibrium and nple. Now, the two extreme cases of redistribution behaviour can be specifically requested. Input has to be changed in two places:
# Data for phase interaction 1 / 2:
# ---------------------------------
# Simulation of interaction between phase 1 and 2?
# Options: phase_interaction no_phase_interaction identical phases nb.
# [standard|particle_pinning[_temperature]|solute_drag]
phase_interaction redistribution_control
# 'DeltaG' options: default
# avg ... [] max ... [J/cm**3] smooth ... [degrees]
...
#
# Input of the phase diagram of phase 1 and phase 2:
# --------------------------------------------------
# Which phase diagram is to be used?
# Options: database [local|global] linear linearTQ
linear
# Temperature of reference point? [K]
1149.9000
# Entropy of fusion between phase 1 and 2 ? (real) [J/(cm**3 K)]
0.14900
# Input of the concentrations at reference point
# Concentration of component 1 in phase 1 ? [wt%]
3.20000E-03
# dissolved concentration in phase 2 ? [wt%]
1.58110E-04
# Concentration of component 2 in phase 1 ? [wt%]
0.17399
# dissolved concentration in phase 2 ? [wt%]
9.62880E-02
# Input of the slopes at reference point
# Slope m_iPh = dT/dC_iPh relative to component 1 ? [K/wt%]
-386.5673523
# Slope m_jPh = dT/dC_jPh relative to component 1 ? [K/wt%]
-8036.549805
# Slope m_iPh = dT/dC_iPh relative to component 2 ? [K/wt%]
-39.82677078
# Slope m_jPh = dT/dC_jPh relative to component 2 ? [K/wt%]
-73.34864807
# Please specify the redistribution behaviour of each component:
# Format: forward [backward] [dGMin]
# Options: para nple normal
# Component 1
normal normal 1.
# Component 2
nple nple 1.
The keywords "normal", "nple" or "para" have to be specified for each element and growth direction which is evaluated form the average driving force of the grain interface. A third optional parameter gives the driving force range for a smooth transition between the regimes if the same is used for both directions.
Bernd
since the end of 2008, a new paraequilibrium and nple mode is available. It can be used for the redistribution of elements which a diffusion length which is much smaller than the interface thickness. Using standard interactions, MICRESS would predict a growth mode which lies between paraequilibrium and nple. Now, the two extreme cases of redistribution behaviour can be specifically requested. Input has to be changed in two places:
# Data for phase interaction 1 / 2:
# ---------------------------------
# Simulation of interaction between phase 1 and 2?
# Options: phase_interaction no_phase_interaction identical phases nb.
# [standard|particle_pinning[_temperature]|solute_drag]
phase_interaction redistribution_control
# 'DeltaG' options: default
# avg ... [] max ... [J/cm**3] smooth ... [degrees]
...
#
# Input of the phase diagram of phase 1 and phase 2:
# --------------------------------------------------
# Which phase diagram is to be used?
# Options: database [local|global] linear linearTQ
linear
# Temperature of reference point? [K]
1149.9000
# Entropy of fusion between phase 1 and 2 ? (real) [J/(cm**3 K)]
0.14900
# Input of the concentrations at reference point
# Concentration of component 1 in phase 1 ? [wt%]
3.20000E-03
# dissolved concentration in phase 2 ? [wt%]
1.58110E-04
# Concentration of component 2 in phase 1 ? [wt%]
0.17399
# dissolved concentration in phase 2 ? [wt%]
9.62880E-02
# Input of the slopes at reference point
# Slope m_iPh = dT/dC_iPh relative to component 1 ? [K/wt%]
-386.5673523
# Slope m_jPh = dT/dC_jPh relative to component 1 ? [K/wt%]
-8036.549805
# Slope m_iPh = dT/dC_iPh relative to component 2 ? [K/wt%]
-39.82677078
# Slope m_jPh = dT/dC_jPh relative to component 2 ? [K/wt%]
-73.34864807
# Please specify the redistribution behaviour of each component:
# Format: forward [backward] [dGMin]
# Options: para nple normal
# Component 1
normal normal 1.
# Component 2
nple nple 1.
The keywords "normal", "nple" or "para" have to be specified for each element and growth direction which is evaluated form the average driving force of the grain interface. A third optional parameter gives the driving force range for a smooth transition between the regimes if the same is used for both directions.
Bernd