Structural stability of multiply twinned FePt nanoparticles

✍ Scribed by Michael Müller; Karsten Albe

• Book ID: 103998311
• Publisher: Elsevier Science
• Year: 2007
• Tongue: English
• Weight: 908 KB
• Volume: 55
• Category: Article
• ISSN: 1359-6454
• DOI: 10.1016/j.actamat.2007.08.030

✦ Synopsis

The structural stability of FePt nanoparticles in multiply twinned and single crystalline morphologies is investigated by means of molecular statics calculations based on a recently developed analytic bond-order potential. The results obtained from the atomistic calculations are used for validating a continuum model which allows the contributions of elastic strain, surface and twin boundary energies to be assessed separately. The static model calculations predict a strong energetic preference for single crystalline morphologies in the ordered L1 0 and disordered A1 phases. If estimates of vibrational entropy contributions are taken into account, however, icosahedral particles can become thermodynamically stable at elevated temperatures.