Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George...
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Transcript of Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George...
![Page 1: Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George Dept. of Materials Science and Engineering University.](https://reader036.fdocuments.in/reader036/viewer/2022062321/56649e255503460f94b13822/html5/thumbnails/1.jpg)
Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George
Dept. of Materials Science and EngineeringUniversity of Arizona
Transformation-induced stress in austenite associated with shape memory effect in NiTi
![Page 2: Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George Dept. of Materials Science and Engineering University.](https://reader036.fdocuments.in/reader036/viewer/2022062321/56649e255503460f94b13822/html5/thumbnails/2.jpg)
Quantified transformation-induced strain state of Austenite in the two-phase region
The induced tetragonal strain Tensor removes the phonon instability Austenite in the two-phase region
- The strain
- Temperature dependence
![Page 3: Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George Dept. of Materials Science and Engineering University.](https://reader036.fdocuments.in/reader036/viewer/2022062321/56649e255503460f94b13822/html5/thumbnails/3.jpg)
NiTi: Austenite (B2)↔(B19’) Martensite phase transformation is displacive
- Phonon instability Softening of TA phonons near
zone boundaries
- In two-phase (B2+B19’) region:Transformation stresses
stabilize B2
![Page 4: Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George Dept. of Materials Science and Engineering University.](https://reader036.fdocuments.in/reader036/viewer/2022062321/56649e255503460f94b13822/html5/thumbnails/4.jpg)
ε ij(B2)
strain
superelasticity
Objectives:
Using molecular dynamics simulations
• What is the internal strain state (i.e. strain tensor) of austenite in the two-phase region associated with the shape memory effect in NiTi?
• Temperature dependence of the strain?
On the nature of transformation-induced strain in Austenite
Characteristic internal strain tensor that makes B2 stable in two-phase region
- shape memory effect- superelasticity
![Page 5: Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George Dept. of Materials Science and Engineering University.](https://reader036.fdocuments.in/reader036/viewer/2022062321/56649e255503460f94b13822/html5/thumbnails/5.jpg)
B2-B19’ phase transformation as a function of temperature
450 K370 K330 K250 K100% B2100% B19’
![Page 6: Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George Dept. of Materials Science and Engineering University.](https://reader036.fdocuments.in/reader036/viewer/2022062321/56649e255503460f94b13822/html5/thumbnails/6.jpg)
B19’ phase fraction as a function of temperature
• Phase fractions from sufficiently large supercells
Size-I : 25 Å X 25 Å X 200 Å
Size-II: 50 Å X 50 Å X 200 Å
Size-III: 75 Å X 75 Å X 200 Å
![Page 7: Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George Dept. of Materials Science and Engineering University.](https://reader036.fdocuments.in/reader036/viewer/2022062321/56649e255503460f94b13822/html5/thumbnails/7.jpg)
Martensite phase fraction as a function of temperature
Tm --- temperature for maximum transformation rate
g, v – dictate the transformation rate
Zotov et al. Journal of alloys and compounds 616(2014)385Richards J. Exp. Bot 10 (1959) 290
- Richards equation[Richards] – for growth of plant population- Zotov et al. used to describe the evolution of phase fractions [zotov et al]
![Page 8: Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George Dept. of Materials Science and Engineering University.](https://reader036.fdocuments.in/reader036/viewer/2022062321/56649e255503460f94b13822/html5/thumbnails/8.jpg)
Strained lattice parameters of Austenite phase as a function of temperature
strained-B2
(001)
(010)
(100)
extrapolatedUnstrained
lattice parameter
εin[100] = (a[100]-aunstrained)/aunstrained
In the two-phase region aunstrained of B2 is obtained by extrapolation
![Page 9: Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George Dept. of Materials Science and Engineering University.](https://reader036.fdocuments.in/reader036/viewer/2022062321/56649e255503460f94b13822/html5/thumbnails/9.jpg)
Measured principal strains on Austenite phase as a function of temperature(001)
(010)
(100)
strained-B2
εin[010] = εin[100]
εin[001]• Strain state of austenite in two-
phase region : tetragonal strain
• What equation based on phenomenology best describes the strain as function of T?
![Page 10: Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George Dept. of Materials Science and Engineering University.](https://reader036.fdocuments.in/reader036/viewer/2022062321/56649e255503460f94b13822/html5/thumbnails/10.jpg)
The relationship between Martensite fraction and the principal strains in Austenite
Richard equation ?
![Page 11: Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George Dept. of Materials Science and Engineering University.](https://reader036.fdocuments.in/reader036/viewer/2022062321/56649e255503460f94b13822/html5/thumbnails/11.jpg)
Martensite phase fraction with internal strain on austenite phase, in [100] or [010] direction:
Martensite phase fraction with temperature [Zotov et al.]
The relationship between Martensite fraction and the principal strains in Austenite
ε0= 0.0119
Strain in austenite as a function of temperature
0
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Variation of strain in austenite as a function of temperature
a1= -0.0198, b1=2.451a2= -0.0370, b2=8.643
0
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Phonon dispersion of austenite phase with and without lattice strain at 364 K
Austenite at T=364 K with no strain Austenite at T=364 K with no calculated strains
- In two-phase region (austenite + martensite): - the phonon instability dissappears due to the transformation induced strains/stress in austenite
- The principal strains are quantified
![Page 14: Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George Dept. of Materials Science and Engineering University.](https://reader036.fdocuments.in/reader036/viewer/2022062321/56649e255503460f94b13822/html5/thumbnails/14.jpg)
Summary
• The transformation-induced strain state in austenite in the two-phase region associated with shape memory effect in NiTi is quantified
• Tetragonal-form strain tensor is found to stabilize the austenite
• The strain that removes the phonon instability is found to vary exponentially with temperature
![Page 15: Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George Dept. of Materials Science and Engineering University.](https://reader036.fdocuments.in/reader036/viewer/2022062321/56649e255503460f94b13822/html5/thumbnails/15.jpg)
Acknowledgment
• We thank Dr. Ting Zhu (Woodruff school of mechanical engineering at Georgia Institute of Technology) for the EAM potential
![Page 16: Sourav Gur, Venkateswara Rao Manga, Stefan Bringuier, Krishna Muralidharan, Frantziskonis George Dept. of Materials Science and Engineering University.](https://reader036.fdocuments.in/reader036/viewer/2022062321/56649e255503460f94b13822/html5/thumbnails/16.jpg)
The Austenite (B2)↔(B19’)Martensite phase transformation is displacive
- Phonon instability Softening of TA phonons near zone boundaries
- In two-phase (B2+B19’) region:Transformation stresses
stabilize B2
• What is the internal-strain state (i.e. strain tensor) of austenite in the two-phase region associated with the shape memory effect?
• Is the strain tensor of a particular type over
the entire range?
ε ij(B2)
strain
superelasticity