volume iv: examples · chapter 5 “aluminium-opper” micress® user guide volume iv: micress®...

Volume IV: Examples

“Resolution of partial differential equations is more about art than science”.

“2 + 2 = 4 except for large values of 2”

“42”

Chapter 1 Introduction

MICRESS® User Guide Volume IV: MICRESS® Examples 5/83

Chapter 1 Introduction


http://www.thermocalc.se/

Chapter 2 What's new?


Chapter 3 Examples Overview


Example

Gam

ma_

Alp

ha_

dri

Gam

ma_

Alp

ha_

PAR

A_

dri

Gam

ma_

Alp

ha_

TQ_

dri

Gam

ma_

Alp

ha_

PAR

AT

Q_

dri

Gam

maA

lpha

_S

tres

s_dr

i

Gam

maA

lpha

Cem

enti

te_

TQ_

dri

Gam

maA

lpha

Cem

enti

te_

LinT

Q_

dri

Gam

maA

lpha

Pea

rlit

e_TQ

_dr

i

Gra

in_

Gro

wth

_dr

i

Gra

in_

Gro

wth

_Pi

nni

ng_

Pre

s_dr

i

Gra

in_

Gro

wth

_S

olut

e_D

rag_

dri

Gra

in_

Gro

wth

_S

olut

e_D

rag_

dG_

dri

Gra

in_

Gro

wth

_Pr

ofile

s_dr

i

Gra

in_

Gro

wth

_3D

_dr

i

Str

ess_

dri

FeM

n_m

64_

intf

_dr

i

ReX

_de

term

inis

tic_

dri

ReX

__

loca

l_H

umpr

eys

_dr

i

ReX

_lo

cal_

reco

very

_dr

i

ReX

_m

ean_

disl

ocat

ion_

dri

ReX

_ra

ndom

_dr

i

number 01

02

03

04

05

06

07

08

09

10

11

12

13

14

15

16

17

18

19

20

21

alloy

Fe-C

-Mn

Fe-C

-Mn

Fe-C

-Mn

Fe-C

-Mn

Fe-C

-Mn

Fe-C

-Mn

Fe-C

-Mn

Fe-C

-Mn



transformation so

lid s

tate

solid

sta

te

solid

sta

te

solid

sta

te

solid

sta

te

solid

sta

te

solid

sta

te

solid

sta

te

gra

in g

row

th

gra

in g

row

th

gra

in g

row

th

gra

in g

row

th

gra

in g

row

th

gra

in g

row

th

solid

sta

te

recr

ysta

llisa

tion

recr

ysta

llisa

tion

recr

ysta

llisa

tion

recr

ysta

llisa

tion

recr

ysta

llisa

tion

recr

ysta

llisa

tion

concentration

coupling X X X X X X X X X X

temperature

coupling

only phase field X X X X X X X X X X X

stress field X X

fluid flow

recrystallisation X X X X X X

dim

ensi

on

1D X

2D X X X X X X X X X X X X X X X X X X X

3D X

tim

e st

ep

automatic X X X X X X X X X X X X X X X X X X X X

manual

mic

rost

ruct

ure

directional

equiaxed X X X X X X X X X X X X X X X X X X X X

init

ial

mic

rost

ruct

ure determinis

tic X X X X X X X X

random X X X X X X X X

from file X X X X

voronoi X X X X X X X X X X X X X X X X

restart

nucl

eati

on m

ode

l

nucleation X X X X X X X X X X X

seed

density

seed

undercool-

ing

X X X X X X X X X X X

recrystalli-

sation



the

rmod

ynam

ic d

atab

ase

s

thermo-

dynamic

coupling

X X X X X X

diffusion

data

from

database

X X X X X

anis

otro

py m

odel

cubic X X X X X X X X X X

hexagonal

faceted

antifacete

d

misorienta

tion X X X X X X

boun

dary

con

diti

ons

1d far field

1d field for

temperatur

e coupling

moving

frame

latent heat

pha

se in

tera

ctio

n m

odes

solute drag X X

particle

pinning X

redistributi

on

control

X X X X



Example

AlC

u_dr

i

AlC

u_Eq

uiax

ed_

dri

AlC

u_Te

mp1

d_dr

i

AlS

i_tr

appi

ng_

dri

AlS

i_tr

appi

ng_

ATC

_dr

i

AlS

i_tr

appi

ng_

ATC

_m

ob_

corr

_dr

i

P_Pe

ak_

1D_

dri

P_Pe

ak_

2D_

dri

Del

ta_

Gam

ma_

dri

TQ_

Eute

ctic

_dr

i

TQ_

Rip

enin

g_dr

i

CM

SX

4_dr

i

Tem

pera

ture

_dr

i

Den

drit

e_A

lSi_

3D_

dri

Den

drit

e_A

lSi_

3D_

flow

_dr

i

Flow

_C

ylin

der_

Lam

ina

r_dr

i

Flow

_C

ylin

der_

Kar

man

_dr

i

Flow

_Pe

rmea

bilit

y_dr

i

number 22

23

24

25

26

27

28

29

30

31

32

33

34

35

36

37

38

39

alloy

Al-

Cu

Al-

Cu

Al-

Cu

Al-

Si

Al-

Si

Al-

Si

Fe-C

-Mn-

P-S

i

Fe-C

-Mn-

P-S

i

Fe-C

-Mn

Al-

Ag

Al-

Ag

CM

SX

4

AlS

i7

AlS

i7

transformation

solid

ific

atio

n

solid

ific

atio

n

solid

ific

atio

n

solid

-liq

uid

solid

-liq

uid

solid

-liq

uid

peri

tect

ic

peri

tect

ic

peri

tect

ic

eute

ctic

solid

-liq

uid

solid

ific

atio

n

solid

ific

atio

n

solid

ific

atio

n

solid

ific

atio

n

concentration

coupling X X X X X X X X X X X X X X

temperature

coupling X

only phase field X X X

stress field

fluid flow X X X X

recrystallisation

dim

ensi

on

1D X X X X

2D X X X X X X X X X X X

3D X X X

tim

e st

ep

automatic X X X X X X X X X X X X X X X X

manual X X

mic

rost

ruct

ure

directional X X X

equiaxed X X X X X X X X

init

ial

mic

rost

ruc

ture

determinis

tic X X X X X X X X X X

random X X



from file X

voronoi

restart

nucl

eati

on m

odel

nucleation X X X X X X X X X

seed

density X X

seed un-

dercooling X X X X X X

recrystalli-

sation

the

rmod

ynam

ic

data

base

s

thermo-

dynamic

coupling

X X X X X

diffusion

data

from

database

X X

anis

otro

py m

odel

cubic X X X X X X

hexagonal

faceted

anti-

faceted

misorien-

tation

boun

dary

con

diti

ons

1d far field X X

1d field for

tempera-

ture

coupling

X

moving

frame X X X X X

latent heat X X X

phas

e in

tera

ctio

n m

odes

solute drag

particle

pinning

redistri-

bution

control

X X

Chapter 4 “Delta-Gamma”


Delta_Gamma_dri

δ

γ-

name dri file Delta_Gamma.dri

alloy system

composition

transition

Figure 4.1. Example Delta_Gamma.phas: dendritic solidification at a time of 25 s (left) and peritectic

reaction at a



name dri file Delta_Gamma.dri

dimension

grid size

grid spacing

interface thickness

boundary conditions

solid phases: Two solid phases: δ γ

grain input

δ

γ Δ

output

special features



δ γ

Chapter 5 “Aluminium-Copper”


name dri file

AlCu_dri.txt

AlCu_Equiaxed_dri.txt

AlCu_Temp1d_dri.txt

alloy system

composition

transition



name dri file AlCu_dri.txt AlCu_Equiaxed_dri.txt AlCu_Temp1d_dri.txt

dimension

grid size

grid spacing

interface thickness

boundary conditions BCs

phase field BCs

concentration field BCs

solid phases:

grain input

output

special features



→ → →

t=0s t=0.1s

t=0.5s t=1.0s

t=1.5s t=2.0s



→ → →



phas → →

→ →

t=0s t=9.0000004Ex10^-2s

t=0.1s t=0.3s

t=0.4s

Chapter 6 “Gamma-Alpha”


Gamma_Alpha_dri Gamma_Alpha_TQ_dri Gamma_Alpha_PARA_dri

Gamma_Alpha_PARATQ_dri Gamma_Alpha_Stress_dri γ → α

Gamma_Alpha_Stress_dri,

Gamma_Alpha_TQ_dri “GammaAlphaCementite_LinTQ_dri“,

Gamma_Alpha_TQ_dri

“GammaAlphaCementiteTQ_dri“,

GammaAlpha_Pearlite.dri

name dri file

a) Gamma_Alpha_dri.txt

Gamma_Alpha_TQ_dri.txt

Gamma_Alpha_PARA_dri.txt

Gamma_Alpha_PARATQ_dri.txt

b) Gamma_Alpha_Stress_dri.txt

c) GammaAlphaCementite_LinTQ_dri.txt

GammaAlphaCementiteTQ_dri.txt

GammaAlphaPearlite_dri.txt

alloy system

composition

transition



na

me

dri

file

Ga

mm

a_

Alp

ha

_d

ri.t

xt

Ga

mm

a_

Alp

ha

_T

Q_

dri

.txt

Ga

mm

a_

Alp

ha

_P

AR

A_

dri

.txt

Ga

mm

a_

Alp

ha

_P

AR

A_

dri

.txt

Ga

mm

a_

Alp

ha

_C

em

en

tite

_Li

nT

Q_

dri

.txt

Ga

mm

a_

Alp

ha

_C

em

en

tite

TQ

_d

ri.t

xt

Ga

mm

a_

Alp

ha

_P

ea

rlit

eT

Q_

dri

.txt

Ga

mm

a_

Alp

ha

_S

tre

ss_

dri

dimension

grid size (cells)

grid spacing

interface thickness

(cells)

boundary

conditions BCs

phase

field BCs

concentra

tion field

BCs

solid phases: γ α γ α,

grain input



output

special features



Gamma_Alpha_dri.txt and Gamma_Alpha_TQ_dri.txt



Gamma_Alpha_TQ_dri.txt and Gamma_Alpha_PARATQ_dri.txt



phas



t = 7 s t = 8 s

t = 9 s

t = 10 s

Chapter 7 “Grain-Growth”


Grain_Growth_dri Grain_Growth_Particle_Pinning_dri

Grain_Growth_Solute_Drag_dri

Grain_Growth_dri

Grain_Growth_Profiles_dri

Grain_Growth_Solute_Drag_dG_in.txt Grain_Growth_Solute_Drag

_in.txt

name dri file

Grain_Growth_in.txt

Grain_Growth_Particle_Pinning_in.txt

Grain_Growth_Profiles_in.txt

Grain_Growth_Solute_Drag_dG_in.txt

Grain_Growth_Solute_Drag_in.txt

alloy system

composition

modelled phenomenon



na

me

dri

file

Gra

in_

Gro

wth

_in

.txt

Gra

in_

Gro

wth

_P

art

icle

_P

inn

ing

_in

.txt

Gra

in_

Gro

wth

_S

olu

te_

Dra

g_

in.t

xt

Gra

in_

Gro

wth

_S

olu

te_

Dra

g_

dG

_in

.txt

Gra

in_

Gro

wth

_P

rofi

les_

in.t

xt

dimension

grid size (cells)

grid spacing

interface thickness

(cells)

boundary conditions

BCs

phase field

BCs

solid phases:

grain input

Grain_Growth_Microstructure.txt

output



special features

Grain_Growth_Microstructure.txt

driving force

dependent mobility

temperature

dependent mobility

-> temperature

trend read in from

file



korn

t=0s t=0s t=0s

t=500s t=500s t=500s

t=1000s t=1000s t=1000s



t=0s

t=500s

t=1000s



Grain_Growth_Profiles_korn.txt

The grain growth path with temperature dependent mobility



Grain_Growth_Profiles_temp.txt

The temperature profiles for different time steps



t =0 s t = 250 s t = 500 s t = 1000 s

Blue: Low angle boundaries, Red: ∑3-boundaries, Green: ∑9-boundaries

Grain_Growth_misorientation_3D

l

Chapter 8 “Phosphorous Peak”


P_Peak_1D_dri P_Peak_2D_dri

name dri file P_Peak_1D_in.txt

P_Peak_2D_in.txt

alloy system

composition

transition



name dri file P_Peak_1D_in.txt P_Peak_2D_in.txt

dimension

grid size (cells)

grid spacing

interface thickness (cells)


phase field

BCs

concentration

field BCs

solid phases:

grain input

temperature



output

special features



phas → → →

→

Chapter 9 “Recrystallisation”


ReX_1_dri ReX_2_dri ReX_3_dri ReX_4_dri ReX_5_dri

ReX_1_dri ReX_5_dri

name dri file

ReX_1_in.txt

ReX_2_in.txt

ReX_3_in.txt

ReX_4_in.txt

ReX_5_in.txt

alloy system

composition

phenomenon



na

me

dri

file

Re

X_

1_in

.txt

Re

X_

2_in

.txt

Re

X_

3_in

.txt

Re

X_

4_in

.txt

Re

X_

5_in

.txt

dimension

grid size (cells)

grid spacing

interface thickness

(cells)

boundary conditions

BCs

phase field

BCs

solid phases: different stored energy assigned to different grains

grain input



output

special features



phas → → →

rex →

→ → →



rex

→ → → →

Chapter 10 “Stress”


name dri file Stress_in.txt

alloy system

composition

transition



name dri file Stress_in.txt

dimension

grid size

grid spacing

interface thickness


phase field BCs

concentration field BCs

solid phases: 2 solid phases: austenite (initial/matrix) and ferrite (growing)

grain input

output

special features



vM

Chapter 11 “Basic TQ-Coupling”


TQ_Ripening_dri TQ_Eutectic_dri

name dri file TQ_Ripening_in.txt

TQ_Eutectic_in.txt

alloy system

composition

transition



name dri file TQ_Ripening_in.txt TQ_Eutectic_in.txt

dimension

grid size (cells)

grid spacing

interface thickness (cells)


phase field

BCs

concentration

field BCs

solid phases:

grain input

output

special features

Chapter 12 “Temperature”


Temperature_dri

name dri file Temperature_in.txt

alloy system

composition

phenomenon



name dri file Temperature_in.txt

dimension

grid size

grid spacing

interface thickness


phase field BCs

temperature field BCs

solid phases: one solid phase ( a pure substance)

grain input

output

special features

Chapter 13 “Ni-based Alloy”


CMSX4_dri

γ

γ



name dri file CMSX4_dri.txt

alloy system

composition

phenomenon γ

name dri file CMSX4_dri.txt

dimension

grid size

grid spacing

interface thickness


phase field BCs

temperature field BCs

solid phases: FCC_A1 (γ), FCC_L12 (γ’)

grain input

databases



special features

Chapter 14 “Dendrites”


name dri file Dendrite_AlSi_3D.dri Dendrite_AlSi_3D_flow.dri

dimension

grid size

grid spacing

interface



boundary conditions

Cooling rate -0.3 K/s -0.1 K/s

solid phase Fcc-Al

seed input

output

special features



Dendrite_AlSi_3D.dri”

Dendrite_AlSi_3D_flow.dri“.

Figure 14.1:

Chapter 15 “Flow”




# vtk DataFile Version 3.0

vtk output

ASCII

DATASET STRUCTURED_POINTS

DIMENSIONS 199 100 100

SPACING 1 1 1

ORIGIN 0 0 0

POINT_DATA 1990000

SCALARS solid double

LOOKUP_TABLE default

0 0 0 0 0 0 0 0 0

…

# vtk DataFile Version 3.0

vtk output

ASCII

DATASET STRUCTURED_POINTS

DIMENSIONS 200 101 101

SPACING 1 1 1

ORIGIN 0 0 0

CELL_DATA 1990000

SCALARS korn float

LOOKUP_TABLE default

0 0 0 0 0 0 0 0 0

…



name dri file Flow_Cylinder_Laminar_dri Flow_Cylinder_Karman_dri Flow_Permeability_dri

dimension

grid size

grid spacing

interface

flow boundary

conditions

grain input

output

special features

Average vx

Reynolds number

Material flow

parameters



𝑘 =𝜇 ∙ 𝑣𝑥

𝑔= 3.9 ∙ 10−11 m2

volume iv: examples · chapter 5 “aluminium-opper” micress® user guide volume iv: micress®...

Documents