Simulation of the thermally induced austenitic phase transition in NiTi nanoparticles

Mutter, Daniel; Nielaba, Peter

doi:10.1140/epjb/e2011-20661-4

Cited by 52 publications

(64 citation statements)

References 32 publications

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“…This difference is mainly due to size effects and consideration of the single crystal (in the simulations) vs. the polycrystalline (in the experiment) NiTi SMA samples; this is addressed in detail in the following sections. Significant size effects have been reported extensively, [25,27,28,30,61] where it is also demonstrated that the presence of defects such as free surfaces can appreciably alter the martensite transformation start Size effects are demonstrated in Figure 3 and some relevant results (evolution of microstructure at different temperatures and sizes) are documented in the supplementary material. Figure 3 shows the variation of martensite phase fraction with respect to temperature for different size of NiTi films.…”

Section: Figure-2mentioning

confidence: 81%

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Linking simulations and experiments for the multiscale tracking of thermally induced martensitic phase transformation in NiTi SMA

Gur

Frantziskonis

2016

Modelling Simul. Mater. Sci. Eng.

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Martensitic phase transformation in NiTi shape memory alloys (SMA) occurs over a hierarchy of spatial scales, as evidenced from observed multiscale patterns of the martensitic phase fraction, which depend on the material microstructure and on the size of the SMA specimen. This paper presents a methodology for the multiscale tracking of the thermally induced martensitic phase transformation process in NiTi SMA. Fine scale stochastic phase field simulations are coupled to macroscale experimental measurements through the compound wavelet matrix method (CWM). A novel process for obtaining CWM fine scale wavelet coefficients is used that enhances the effectiveness of the method in transferring uncertainties from fine to coarse scales, and also ensures the preservation of spatial correlations in the phase fraction pattern. Size effects, well-documented in the literature, play an important role in designing the multiscale tracking methodology. Molecular dynamics (MD) simulations are employed to verify the phase field simulations in terms of different statistical measures and to demonstrate size effects at the nanometer scale. The effects of thermally induced martensite phase fraction uncertainties on the constitutive response of NiTi SMA is demonstrated.

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Section: Figure-2mentioning

confidence: 81%

“…Detailed description of the different parameters is provided in [30] , respectively [30]. Such distribution for the order parameter arises primarily from the effects of thermal expansion or contraction on the bond length of the phases at different temperature.…”

mentioning

confidence: 99%

Linking simulations and experiments for the multiscale tracking of thermally induced martensitic phase transformation in NiTi SMA

Gur

Frantziskonis

2016

Modelling Simul. Mater. Sci. Eng.

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“…Fig. 1 shows all these structures resulting from the model potential, together with an order parameter χ, which is calculated out of the nearest neighbor environment of each atom [25]. Due to the shear in the monoclinic B19 ′ structure, two nearest neighbor lengths are elongated about 13.5% compared to the other six, denoted by a dashed connection between the atoms.…”

Section: Methods and Structural Analysismentioning

confidence: 99%

Simulation of the shape memory effect in a NiTi nano model system

Mutter

Nielaba

2013

Journal of Alloys and Compounds

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The shape memory behavior of a NiTi nanoparticle is analyzed by molecular dynamics simulations. After a detailed description of the equilibrium structures of the used model potential, the multi variant martensitic ground state, which depends on the geometry of the particle, is discussed. Tensile load is applied, changing the variant configuration to a single domain state with a remanent strain after unloading. Heating the particle leads to a shape memory effect without a phase transition to the austenite, but by variant reorientation and twin boundary formation at a certain temperature. These processes are described by stress-strain and strain-temperature curves, together with a visualization of the microstructure of the nanoparticle. Results are presented for five different Ni concentrations in the vicinity of 50%, showing for example, that small deviations from this ideal composition can influence the critical temperature for shape recovery significantly.

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“…Besides, it is justified that atomistic simulations can be regarded as a tool for investigating the MT, SME, and SE by providing more structural details and 2 Advances in Materials Science and Engineering mechanistic insights at the atomic scale. For example, MD simulations exhibit a possibility of describing the phase structures derived from temperature-and stress-induced phase transformation [7,8]. In the MD method, several characteristics of phase transformation in the NiTi alloy had been revealed through a semiempirical pair potential [9].…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Modeling of the Effect of Nanotwins on the Superelasticity of Single-Crystalline NiTi Alloys

Guo

Zeng

Chen

et al. 2017

Advances in Materials Science and Engineering

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The objective of this work is to simulate the superelasticity and shape-memory effect in a single-crystalline nickel-titanium (NiTi) alloy through a molecular dynamics (MD) study. Cooling and heating processes for this material are reproduced to investigate the temperature-induced phase transformation in its microstructure. It is found that the martensitic transformation and its reverse process occur accompanied by an abrupt volume change, and the transformed variants lead to the appearance of the (001) type compound twin. In addition, the transform temperatures for martensite start ( ) and austenite finish ( ) are determined, respectively. The results indicate that when the temperature is beyond during the compressive loadingunloading, the superelastic behavior becomes pronounced, which is attributed to the role of nanotwins on the transformation from the austenitic phase (B2) to martensitic phase (B19 ). Compared to existing experimental data, a reasonable agreement is achieved through the modeling results, highlighting the importance of the compound twins for dominating the superelasticity of nanostructured NiTi alloys.

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Simulation of the thermally induced austenitic phase transition in NiTi nanoparticles

Cited by 52 publications

References 32 publications

Linking simulations and experiments for the multiscale tracking of thermally induced martensitic phase transformation in NiTi SMA

Linking simulations and experiments for the multiscale tracking of thermally induced martensitic phase transformation in NiTi SMA

Simulation of the shape memory effect in a NiTi nano model system

Molecular Dynamics Modeling of the Effect of Nanotwins on the Superelasticity of Single-Crystalline NiTi Alloys

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