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:
-
- Purdue University, West Lafayette, IN (United States)
- Publication Date:
- 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.
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
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.
@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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