Irradiation-induced ordering in Pt-Cu alloy focusing on Pt7Cu. Issue 1760 (2nd February 2015)

• Record Type: Journal Article
• Authors: Baker, I.; Heilmaier, M.; Kishida, K.; Mills, M.; Miura, S.; Nagase, T.; Seno, Y.; Yasuda, H.; Mori, H.
• Is Part Of: MRS proceedings. Issue 1760(2015)
• Publication Date: 2015-02-02
• Subjects: Electrical engineering -- Congresses; Physics -- Congresses; Materials -- Research -- Congresses; Materials science -- Congresses; 620.11
• DOI: 10.1557/opl.2015.30
• Languages: English
• ISSNs: 0272-9172

Abstract

<abstract abstract-type="normal"> <title>ABSTRACT</title> <p>The existence of Pt₇Cu ordering phase (intermetallic compound) was investigated by <italic>ab initio</italic> calculations and high voltage electron microscopy (HVEM) focusing on irradiation-induced ordering. The Pt₇Cu ordering phase (cF32, prototype Ca₇Ge) was predicted at 0 K through density functional theory (DFT), and using cluster expansion (CE) method and grand canonical Monte Carlo (GCMC) simulation, the ordering temperature of <italic>fcc</italic>-based Pt₇Cu ordering phase was estimated to be above room temperature. The formation of Pt₇Cu ordering phase was confirmed by a short-time irradiation for 3.6×10³ s at 600 K. MeV electron irradiation can reduce drastically the annealing time for the ordering in the Pt-Cu alloy system, indicating that the combination of the prediction by <italic>ab initio</italic> calculations and HVEM can offer the unique opportunity to investigate the existence of ordering phase in alloys.</p> </abstract>