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An Advanced Perspective on Twin Growth and Slip in NiTi Huseyin - - PowerPoint PPT Presentation

University of Illinois at Urbana Champaign An Advanced Perspective on Twin Growth and Slip in NiTi Huseyin Sehitoglu, Tawhid Ezaz, H.J.Maier Department of Mechanical Science & Engineering University of Illinois, Urbana University of


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University of Illinois at Urbana Champaign

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An Advanced Perspective on Twin Growth and Slip in NiTi

Huseyin Sehitoglu, Tawhid Ezaz, H.J.Maier Department of Mechanical Science & Engineering University of Illinois, Urbana University of Paderborn, Germany ICOMAT-2011, September 6, 2011 Funded by NSF- Division of Materials Research

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University of Illinois at Urbana Champaign

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Presentation Outline

  • Detwinning mechanism of Type II-1 twin in

Martensitic NiTi

  • Compound twinning in Martensite (001),

(100) and Modes

  • Twinning in Austenite (112) and (114)

Modes

  • Slip in B2 NiTi

(201)

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University of Illinois at Urbana Champaign

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Fault Energy Measurement: Example with FCC

2

( ) mJ m γ 211 6

x

u a ⎡ ⎤ ⎣ ⎦

Perfect fcc Unstable Stable stacking fault

is linked to Dislocation Nucleation

GSFE GPFE

211 6

x

u a ⎡ ⎤ ⎣ ⎦

is the energy barrier to

  • vercome

during Twin Nucleation

us

γ

isf

γ

UT

γ

2layertwin

γ

TM

γ

us

γ

is the barrier to overcome during Twin growth

TM

γ

Unstable Twin fault 2 layer twin

UT

γ

FCC is the Simplest!

A B C A A B C B C A B C A A B C A A B C B C A B C A B C B A B A C A B C A B

b b/2 1.5b 2b

[111]

[211]

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University of Illinois at Urbana Champaign

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Detwinning and Twinning of NiTi Martensite

Adapted from Ishida et al.,2006

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University of Illinois at Urbana Champaign

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Type II-1 twins

Liu, ¡Van ¡Humbeeck, ¡46, ¡1998, ¡Acta ¡Mat. ¡ Xie,Liu,84,3497,2004, ¡Acta ¡Mat. ¡

Phenomenological Theory provides twinning plane to be irrational (0.7205 1 1) Experimentally evidence of rational ledges and steps

(1 1 1)

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University of Illinois at Urbana Champaign

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Fault Energy in Type II twin

Ezaz -Sehitoglu., APL, 2011

TM th

b γ τ π =

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University of Illinois at Urbana Champaign

  • Detwinning mechanism of Type II-1 twin

in Martensitic NiTi

  • Compound twinning in Martensite

(001), (100) and

  • Twinning in Austenite, (112) and (114)

(201)

Outline

  • VASP-PAW-GGA
  • 9x9x9 k-point mesh with 273.2 eV energy cutoff.
  • Convergence assessed with increasing L
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University of Illinois at Urbana Champaign

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(001) Compound Twin

(001) Twin boundary (001) Twin boundary Twin formation due to glide of twinning partial a/2 [100]

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University of Illinois at Urbana Champaign

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(001) Compound Twin-GSFE and GPFE

2 TM = 7.6mJ / m

γ

2 UT = 24mJ / m

γ

2

mJ m ! " # $ % & '

Generalized planar fault energy (GPFE)

x

u a

2

mJ m ! " # $ % & '

Generalized stacking fault energy (GSFE)

2

20 /

us

mJ m γ =

x

u a 2.884 a A = &

a a a[100] = [100]+ [100] 2 2

Ezaz, Sehitoglu, Acta. Mat, 2011

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University of Illinois at Urbana Champaign

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2

mJ m γ ⎛ ⎞ ⎜ ⎟ ⎝ ⎠

x

u c

4.66 = & c A

(100) Compound Twin

Onda ¡et ¡al., ¡33,354,1992, ¡JIM, ¡

  • Mats. ¡Trans. ¡

[ ]

100

[ ]

001

[ ]

010

Ti ¡ Ni ¡ Generalized stacking fault energy (GSFE)

No Metastable Position, Barrier too high

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University of Illinois at Urbana Champaign

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Energy Barrier of (100) Twin

2

mJ m γ ⎛ ⎞ ⎜ ⎟ ⎝ ⎠

x

u c

2

41

TME

mJ m γ =

[ ]

001 13.5 =

M

c c

Generalized planar fault energy (GPFE)

[ ]

100

[ ]

001

[ ]

010

Ti ¡ Ni ¡

0.46 ¡A ¡Shuffle ¡ in ¡Ti ¡ 0.23 ¡A ¡Shuffle ¡ in ¡Ni ¡

3. [001] 9 a

B19’ ¡

3 ¡layer ¡twin ¡aMer ¡ ¡only ¡shear ¡ 3 ¡layer ¡twin ¡aMer ¡shuffle ¡ following ¡shear ¡

Shear Direction ¡

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University of Illinois at Urbana Champaign

Two different Twin growth mechanism

Ledge Ledge

Matrix Twin Matrix

[100] [100] [100] 2 2 a a a → +

[100] (001]

Displacement Fault Energy

Shear Shuffle

[001] (100]

Aided by twinning partial No twinning partial, combined shear and shuffle

Displacement Fault Energy Without shuffle With shuffle Displacement

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University of Illinois at Urbana Champaign

Compound Twin

(201)

(201)

[102] [201]

Fault Energy (mJ/m2)

| 102 |

x

u

Generalized Stacking Fault Energy (GSFE)

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University of Illinois at Urbana Champaign

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Energy Barrier of Twin

Gives the exact coupling of Shear and shuffle

Computationally extensive!

1st Energy Barrier Metastable position

0,0 0.5,0 1,1 0.5,1 0,1

3 layer twin 4 layer twin Metastable position

Shear, e Shuffle.h Fault Energy (mJ/m2) Reaction path along MEP

1st Energy Barrier 2nd Energy Barrier 2nd Energy Barrier

(201)

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University of Illinois at Urbana Champaign

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(001), (100), Compound Twins

Twin Migration Energy gTM (mJ/m2)

ux/b

(001)[100] (100)[001 ] (201)[102] K1 η1

(τ shear)ideal = δγ δux max (MPa)

{ }

( )

/ τ π γ =

TMideal TM twin

b (MPa) (001) [100] 277 165 (100) [001] 4530 1790 (201) [102] 107060 3900

Twin growth stress is proportional to the twin migration energy

(201)

Ishida et al., 2005

3 layer Twin 4 layer Twin 5 layer Twin

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Digital Image Correlation Results displaying Multiple Twin Modes During Deformation of Martensite

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University of Illinois at Urbana Champaign

  • Introduction to NiTi

– Applications – Shape Memory Behavior

  • Detwinning mechanism of Type II twin in

Martensitic NiTi

  • Compound twinning in Martensite (001),

(100) and

  • Twinning in Austenite, (112) and (114)

(201)

Outline

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University of Illinois at Urbana Champaign

(112) and (114) Twin in Austenite

(112) Twin (114) Twin (112) And (114) are the mostly observed twin systems Nishida et al., 2003

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University of Illinois at Urbana Champaign

(112) Pseudotwinning in B2 NiTi

3b 4b

2

mJ m γ ⎛ ⎞ ⎜ ⎟ ⎝ ⎠ [ ]

111 6

x

u a

Ni – In Plane ¡ Ti – In Plane ¡ Ni – Out of Plane ¡ Ti – Out of Plane ¡

[ ]

/ 6 111 b a =

Shear ¡Magnitude ¡ Shear ¡Direc0on ¡ 1 2 s =

211 ⎡ ⎤ ⎣ ⎦

[ ]

111

No metastable position, and labeled as ‘impossible’.

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Coupled shear and shuffle mechanism during (112) twin growth

[ ]

1 1 1 6 a b=

1 2 s =

s 4 layer twin 5 layer twin Application of only shear

Ortho structure

211 ⎡ ⎤ ⎣ ⎦

[ ]

111

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University of Illinois at Urbana Champaign

PES and MEP of (112) Twin

4 layer Twin 5 layer Twin

2

mJ m γ ⎛ ⎞ ⎜ ⎟ ⎝ ⎠

Reaction coordinate along MEP

4 layer Twin 5 layer Twin Pseudotwin

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(114) Deformation Twin (B2)- The ‘elusive’ one

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University of Illinois at Urbana Champaign

Different Shuffle Possibilities

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University of Illinois at Urbana Champaign

PES and MEP in (114) twinning

Normalized displacement / | 221 |

x

u a Fault Energy (mJ/m2) Fault Energy (mJ/m2) Reaction Coordinate along MEP

  • No Energy well at
  • Twinning combines shear and

shuffle.

  • Barrier energy of 148 mJ/m2

= /18[221] b a

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!

Sharp Boundaries Further Lower the Energy Barriers

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University of Illinois at Urbana Champaign

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Presentation Outline

  • Detwinning mechanism of Type II-1 twin in

Martensitic NiTi

  • Compound twinning in Martensite (001),

(100) and Modes

  • Twinning in Austenite (112) and (114)

Modes

  • Slip in B2 NiTi

(201)

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University of Illinois at Urbana Champaign

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Consequence of Slip in Shape Memory

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University of Illinois at Urbana Champaign

Slip Systems in B2 NiTi

2

mJ m γ ⎛ ⎞ ⎜ ⎟ ⎝ ⎠

[100]

x

u a

[111]

x

u a

(011)[100]

(011)[111]

Most observed slip system in B2 NiTi, Chumlyakov, 2004, Norfleet et al., 2010, Delville et al. , 2010

Not presented in early work, lower barrier energy in (1-11) direction

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University of Illinois at Urbana Champaign

Experimental observation of novel [111](011) system systems

(011)[100]

(011)[111]

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30 ¡ Slip Plane Slip Direction

max

( )

shear ideal x

u δγ τ δ = (MPa) (011) [100] 1034 (011) [111] 726 ( 211) [111] 7430 (100) [010] 9320

Summary of Slip Systems

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University of Illinois at Urbana Champaign

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Summary

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University of Illinois at Urbana Champaign

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Conclusions

  • Twinning is favored over slip in the case B19’ martensite

(a key reason why shape memory works).

  • Shuffles play a significant role in Type II-1, (100), (201)

twinning in martensite.

  • (112) and (114) twinning in B2 NiTi has to overcome

much lower barrier with shear and shuffle with comparable

  • [111](011) slip has been shown to be significant in B2

NiTi along with [100](011) slip both with experiments and simulations.

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Thank You