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Title: The Role of Phase Stability in Ductile, Ordered B2 Intermetallics

Abstract

We discuss the underlying atomistic mechanism for experimentally observed large tensile ductility in various strongly ordered B2 intermetallic compounds. First-principles calculations demonstrate that all of the compounds exhibit little energy differences between the B2, B27 and B33 phases. These calculations relate observations of ductility in YAg, YCu and ZrCo to shape-memory materials including NiTi. One transformation pathway between the B2 and B33 phases establishes a connection between this phase competition, and stacking faults on the {l_brace}011{r_brace}B2 plane. The low energy of such a stacking fault will lead to splitting of the b=<100> dislocations into b/2 partials, observed in ZrCo, TiCo, and in the B19' phase of NiTi. Calculations demonstrate that this pathway is competitive with the traditional pathway for NiTi.

Authors:
 [1];  [2];  [1];  [1]
  1. ORNL
  2. Ames Laboratory and Iowa State University
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
931832
DOE Contract Number:  
AC05-00OR22725
Resource Type:
Conference
Resource Relation:
Journal Volume: 980; Conference: 2006 MRS Fall Meeting, Boston, MA, USA, 20061127, 20061201
Country of Publication:
United States
Language:
English

Citation Formats

Morris, James R, Ye, Y. Y., Krcmar, Maja, and Fu, Chong Long. The Role of Phase Stability in Ductile, Ordered B2 Intermetallics. United States: N. p., 2007. Web. doi:10.1557/PROC-980-0980-II06-10.
Morris, James R, Ye, Y. Y., Krcmar, Maja, & Fu, Chong Long. The Role of Phase Stability in Ductile, Ordered B2 Intermetallics. United States. doi:10.1557/PROC-980-0980-II06-10.
Morris, James R, Ye, Y. Y., Krcmar, Maja, and Fu, Chong Long. Mon . "The Role of Phase Stability in Ductile, Ordered B2 Intermetallics". United States. doi:10.1557/PROC-980-0980-II06-10.
@article{osti_931832,
title = {The Role of Phase Stability in Ductile, Ordered B2 Intermetallics},
author = {Morris, James R and Ye, Y. Y. and Krcmar, Maja and Fu, Chong Long},
abstractNote = {We discuss the underlying atomistic mechanism for experimentally observed large tensile ductility in various strongly ordered B2 intermetallic compounds. First-principles calculations demonstrate that all of the compounds exhibit little energy differences between the B2, B27 and B33 phases. These calculations relate observations of ductility in YAg, YCu and ZrCo to shape-memory materials including NiTi. One transformation pathway between the B2 and B33 phases establishes a connection between this phase competition, and stacking faults on the {l_brace}011{r_brace}B2 plane. The low energy of such a stacking fault will lead to splitting of the b=<100> dislocations into b/2 partials, observed in ZrCo, TiCo, and in the B19' phase of NiTi. Calculations demonstrate that this pathway is competitive with the traditional pathway for NiTi.},
doi = {10.1557/PROC-980-0980-II06-10},
journal = {},
number = ,
volume = 980,
place = {United States},
year = {Mon Jan 01 00:00:00 EST 2007},
month = {Mon Jan 01 00:00:00 EST 2007}
}

Conference:
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