About the diffusion mechanism in amorphous alloys

Hung, P. K.; Vinh, L.T.; Kien, Pham Huu

doi:10.1016/j.jnoncrysol.2010.04.029

Cited by 5 publications

(2 citation statements)

References 21 publications

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“…It is interesting that the simple potential proposed by Pak and Doyama long time ago, well describes thermodynamics and structure properties of Fe and Fe-alloys materials. MD simulations carried out by various researchers and using Pak-Doyama potential confirmed these points [27][28][29][30][31][32][33][34]. Therefore, in the present work, we conduct the MD simulation using Pak-Doyama type potentials to describe the interaction between atoms in NP samples.…”

Section: Calculation Proceduresmentioning

confidence: 66%

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Crystallization Pathway for Crystallization of FeB Nanoparticles

Kien¹,

An²,

Linh³

et al. 2019

MaP

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The FeB nanoparticle consisting of 5000 particles (4500 Fe atoms and 500 B atoms) have 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 crystalline and mixed FeB nanoparticles consists of three distinct parts including Fe crystalline and two FeB amorphous parts (B-poor and B-rich amorphous part). The different polymorphs of FeB nanoparticle differs in the local structure, size of Fe crystal and energies of different type atoms.

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Section: Calculation Proceduresmentioning

confidence: 66%

“…Therefore, in the present work, we conduct the MD simulation using Pak-Doyama type potentials to describe the interaction between atoms in NP samples. The form of this potential is given follow [31][32][33][34]:…”

Section: Calculation Proceduresmentioning

confidence: 99%