Uncovering the role of nanoscale precipitates on martensitic transformation and superelasticity

Tripathi, Shivam; Vishnu, Karthik Guda; Titus, Michael S.; Strachan, Alejandro

doi:10.1016/j.actamat.2022.117790

Title: Uncovering the role of nanoscale precipitates on martensitic transformation and superelasticity

Abstract

Here we characterize the role of coherent nanoscale B2 Ni₅₀Al₅₀ precipitates on the temperature- and stress-induced martensitic phase transformation in nanocrystalline Ni₆₃Al₃₇ shape memory alloys using multi-million-atoms molecular dynamics (MD) simulations. We studied two types of precipitates: one with single crystal precipitates (SXP) and a second where grain boundaries cut through precipitates (PXP). Simulations reveal that the presence of B2 precipitates stabilizes the cyclic flag-shaped stress-strain response, characteristic of superelasticity, and reduces remnant strain. In contrast, single-phase nanocrystalline Ni₆₃Al₃₇ exhibits degradation of the reverse transformation during cyclic loading and, eventually, incomplete reversible transformation within a few cycles. This is consistent with previous experimental findings of ultra-low fatigue in Ni-Ti-Cu alloys with Ti₂Cu precipitates. The simulations reveal that the presence of precipitates significantly improves the reversibility of the transformation by acting as elastic zones that partially shield the martensitic transformation and drive the reverse transformation. A detailed analysis of the MD trajectories reveals that the martensitic transformation of the matrix induces ultra-large elastic deformation in some of the B2 precipitates (approximately 12%) to the point of resulting in a martensite-like atomic structure.

Authors:

Tripathi, Shivam ^[1]; Vishnu, Karthik Guda ^[1];

^[1]; Strachan, Alejandro ^[1]

Purdue University, West Lafayette, IN (United States)

Publication Date:: Sat Feb 26 00:00:00 EST 2022

Research Org.:: Purdue Univ., West Lafayette, IN (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1976787

Grant/Contract Number:: FG02-07ER46399

Resource Type:: Accepted Manuscript

Journal Name:: Acta Materialia

Additional Journal Information:: Journal Volume: 229; Journal Issue: C; Journal ID: ISSN 1359-6454

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 42 ENGINEERING; shape memory alloys; martensitic transformation; nanoscale precipitates; molecular dynamics; NiAl alloys

Citation Formats


                    Tripathi, Shivam, Vishnu, Karthik Guda, Titus, Michael S., and Strachan, Alejandro. Uncovering the role of nanoscale precipitates on martensitic transformation and superelasticity.  United States: N. p., 2022. 
Web.  doi:10.1016/j.actamat.2022.117790.

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                    Tripathi, Shivam, Vishnu, Karthik Guda, Titus, Michael S., & Strachan, Alejandro. Uncovering the role of nanoscale precipitates on martensitic transformation and superelasticity.  United States.  https://doi.org/10.1016/j.actamat.2022.117790

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                    Tripathi, Shivam, Vishnu, Karthik Guda, Titus, Michael S., and Strachan, Alejandro. Sat .  
"Uncovering the role of nanoscale precipitates on martensitic transformation and superelasticity".  United States.  https://doi.org/10.1016/j.actamat.2022.117790.  https://www.osti.gov/servlets/purl/1976787.

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@article{osti_1976787,

  title        = {Uncovering the role of nanoscale precipitates on martensitic transformation and superelasticity},

  author       = {Tripathi, Shivam and Vishnu, Karthik Guda and Titus, Michael S. and Strachan, Alejandro},

  abstractNote = {Here we characterize the role of coherent nanoscale B2 Ni50Al50 precipitates on the temperature- and stress-induced martensitic phase transformation in nanocrystalline Ni63Al37 shape memory alloys using multi-million-atoms molecular dynamics (MD) simulations. We studied two types of precipitates: one with single crystal precipitates (SXP) and a second where grain boundaries cut through precipitates (PXP). Simulations reveal that the presence of B2 precipitates stabilizes the cyclic flag-shaped stress-strain response, characteristic of superelasticity, and reduces remnant strain. In contrast, single-phase nanocrystalline Ni63Al37 exhibits degradation of the reverse transformation during cyclic loading and, eventually, incomplete reversible transformation within a few cycles. This is consistent with previous experimental findings of ultra-low fatigue in Ni-Ti-Cu alloys with Ti2Cu precipitates. The simulations reveal that the presence of precipitates significantly improves the reversibility of the transformation by acting as elastic zones that partially shield the martensitic transformation and drive the reverse transformation. A detailed analysis of the MD trajectories reveals that the martensitic transformation of the matrix induces ultra-large elastic deformation in some of the B2 precipitates (approximately 12%) to the point of resulting in a martensite-like atomic structure.},

  doi          = {10.1016/j.actamat.2022.117790},

  journal      = {Acta Materialia},

  number       = C,

  volume       = 229,

  place        = {United States},

  year         = {Sat Feb 26 00:00:00 EST 2022},

  month        = {Sat Feb 26 00:00:00 EST 2022}

}

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Title: Uncovering the role of nanoscale precipitates on martensitic transformation and superelasticity

Abstract

Citation Formats

Mechanical response of nanocrystalline platinum via molecular dynamics: size effects in bulk versus thin-film samples journal, August 2015

Elastically confined martensitic transformation at the nano-scale in a multifunctional titanium alloy journal, August 2017

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The effects of wide range of compositional changes on the martensitic transformation characteristics of NiTiHf shape memory alloys journal, March 2019

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Robust structural identification via polyhedral template matching journal, May 2016

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The properties of two-phase Ni–Al–Fe shape memory alloys in the virgin and shape-memory-cycled states journal, December 1999

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Nouvelles applications des paramètres continus à la théorie des formes quadratiques. Deuxième mémoire. Recherches sur les parallélloèdres primitifs.
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