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  • Crystallization Pathway for Crystallization of FeB Nanoparticles.pdf.jpg
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  • Crystallization Pathway for Crystallization of FeB Nanoparticles

    • Authors: Pham, Huu Kien; Pham, Mai An; Nguyen, Hong Linh; Giap, Thuy Trang (2019)

  • The FeB nanoparticle (NP) consisting of 5000 particles (4500 Fe atoms and 500 B atoms) has been investigated by means of molecular dynamics (MD) simulation. When the amorphous FeB nanoparticle is annealed at temperature of 900 K for a long time, it is crystallized into bcc crystalline structure. The simulation shows that the sample undergoes crystallization via the nucleation mechanism. During the crystallization, B atoms diffuse to the boundary region of Fe crystal. The crystal growth proceeds when this boundary region attains specific properties which are defined by the fraction of B atoms and the energies of AB-atoms and CB-atoms. Further our study indicates that the crystal...

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Browsing by Subject B-rich

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 1 to 1 of 1
  • Crystallization Pathway for Crystallization of FeB Nanoparticles.pdf.jpg
  • Article

  • Crystallization Pathway for Crystallization of FeB Nanoparticles

    • Authors: Pham, Huu Kien; Pham, Mai An; Nguyen, Hong Linh; Giap, Thuy Trang (2019)

  • The FeB nanoparticle (NP) consisting of 5000 particles (4500 Fe atoms and 500 B atoms) has been investigated by means of molecular dynamics (MD) simulation. When the amorphous FeB nanoparticle is annealed at temperature of 900 K for a long time, it is crystallized into bcc crystalline structure. The simulation shows that the sample undergoes crystallization via the nucleation mechanism. During the crystallization, B atoms diffuse to the boundary region of Fe crystal. The crystal growth proceeds when this boundary region attains specific properties which are defined by the fraction of B atoms and the energies of AB-atoms and CB-atoms. Further our study indicates that the crystal...