Elastic anisotropy of Ni4Ti3 from first principles (bibtex)

by M.F.-X. Wagner, W. Windl

Abstract:
The elastic strain fields surrounding Ni4Ti3 precipitates affect the transformation behavior of Ni-rich NiTi shape memory alloys. We present first-principles calculations of the Ni4Ti3 elastic constants that allow for the first time to characterize the elastic anisotropy, the direction-dependent Young’s modulus and the macroscopic elastic moduli. A comparison of the direction-dependent moduli of Ni4Ti3 and the austenitic NiTi matrix fully rationalizes the experimentally observed shapes of the precipitates.
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Reference:
Wagner, M.F.-X., Windl, W.: Elastic anisotropy of Ni4Ti3 from first principles, Scripta Materialia 60, 207-210, 2009.
Bibtex Entry:
@Article{Wagner2009,
  author    = {Wagner, M.F.-X. and Windl, W.},
  journal   = {Scripta Materialia},
  title     = {{Elastic anisotropy of Ni\textsubscript{4}Ti\textsubscript{3} from first principles}},
  year      = {2009},
  issn      = {13596462},
  number    = {4},
  pages     = {207--210},
  volume    = {60},
  abstract  = {The elastic strain fields surrounding Ni\textsubscript{4}Ti\textsubscript{3} precipitates affect the transformation behavior of Ni-rich NiTi shape memory alloys. We present first-principles calculations of the Ni\textsubscript{4}Ti\textsubscript{3} elastic constants that allow for the first time to characterize the elastic anisotropy, the direction-dependent Young’s modulus and the macroscopic elastic moduli. A comparison of the direction-dependent moduli of Ni\textsubscript{4}Ti\textsubscript{3} and the austenitic NiTi matrix fully rationalizes the experimentally observed shapes of the precipitates.},
  doi       = {10.1016/j.scriptamat.2008.09.028},
  keywords  = {Elastic behaviour, First-principles electron theory, Ni4Ti3, Precipitation, Shape memory alloys (SMA)},
  publisher = {Acta Materialia Inc.},
  url       = {http://dx.doi.org/10.1016/j.scriptamat.2008.09.028},
}
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