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@article{909177,
author = {Hueger, Erwin and Káňa, Tomáš and Šob, Mojmír},
article_location = {OXFORD},
article_number = {4},
keywords = {phase transformations; thin films; Pd; nanocrystalline materials},
language = {eng},
issn = {0364-5916},
journal = {CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY},
title = {A mechanism of inhibition of phase transitions in nano-grained close-packed Pd thin films},
volume = {34},
year = {2010}
}
TY - JOUR
ID - 909177
AU - Hueger, Erwin - Káňa, Tomáš - Šob, Mojmír
PY - 2010
TI - A mechanism of inhibition of phase transitions in nano-grained close-packed Pd thin films
JF - CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
VL - 34
IS - 4
SP - 421-427
EP - 421-427
PB - PERGAMON-ELSEVIER SCIENCE LTD
SN - 03645916
KW - phase transformations
KW - thin films
KW - Pd
KW - nanocrystalline materials
N2 - Analyzing experimental data and calculating corresponding energy barriers from first principles, we elucidate the feasibility of the experimentally observed phase transformation between the hcp and double hcp (dhcp) structures in the hcp Pd thin films grown on W(001) and Nb(001) substrates and absence of the hcp-fcc transformation in those films. The hcp-dhcp transformation can be modeled by a transformation path which preserves the existing domain topology of the films and exhibits a sufficiently low energy barrier. On the other hand, this orthogonal pattern of rectangular domains induced by the fourfold symmetry of the substrate surface hinders the hcp Pd phase to convert back to the ground-state fcc phase, although there exists a transformation path exhibiting a very low energy barrier between the hcp and fcc structures. This path, however, would break the domain arrangement and, therefore, it cannot be accomplished. In this way, the hcp crystalline phase is locked inside of nanograins.
ER -
HUEGER, Erwin, Tomáš KÁŇA and Mojmír ŠOB. A mechanism of inhibition of phase transitions in nano-grained close-packed Pd thin films. \textit{CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY}. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD, 2010, vol.~34, No~4, p.~421-427. ISSN~0364-5916.
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