Effects of Nanoparticle Geometry and Temperature on the Structural Evolution in FeCo Nanoalloys

Date

2014-02-01

Author

Yalçın, Mehtap
Mehrabov, Amdulla
Akdeniz, Mahmut Vedat

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

242
views

0
downloads

Effects of nanoparticle size (2.0-6.0 rim) and shape (spherical and cubic) on structural characteristic of atomic ordering processes and order-disorder transformation in B2-type ordered equiatomic-FeCo nanoalloys have been studied by combining electronic theory of alloys in the pseudopotential approximation with Ising-type Hamiltonian site exchange Monte Carlo simulation method. Structural evolutions in amorphous nanopaxticles (2-6 nm) of Fe50Co50 alloy have been utilized via molecular dynamic simulations from room temperatures to 1700 K temperatures. It has been shown that disordering starts at surface and propagates into volume of nanoparticles with increasing temperature. FeCo nanoparticles with critical dimensions more than 5 nm have order-disorder transformation behavior almost similar with bulk B2-FeCo alloys irrespective of their shape. Molecular dynamic analyses indicate that short- and medium-range ordered atomic structures exist in quenched Fe50Co50 nanoparticles at room temperature. Deformed bcc structures and deformed icosahedron structures are most probable atomic configurations for 2, 4, 6 nm particles of Fe50Co50 nanoalloy.

Subject Keywords

General Physics and Astronomy

URI

https://hdl.handle.net/11511/48474

Journal

ACTA PHYSICA POLONICA A

DOI

https://doi.org/10.12693/aphyspola.125.600

Collections

Department of Metallurgical and Materials Engineering, Article

Suggestions

OpenMETU
Core

Theoretical investigation of charge accumulation layer on the Bi-induced InAs(111)-(2 x 2) surface Ozkaya, S.; Usanmaz, D.; ÇAKMAK, MELEK; Alkan, B.; Ellialtıoğlu, Süleyman Şinasi (AIP Publishing, 2014-04-28) Based on pseudopotential method and density functional theory, we have investigated the stability, atomic geometry, and detailed electronic structures for Bi adsorbates on the InAs(111)-(2 x 2) surface with three different sites: (i) T-4 (Bi trimer centered on T-4 site), (ii) H-3 (Bi trimer centered on H-3 site), and (iii) T-4-H-3 (which is formed by trimers with opposite orientations: one centered on a T-4 site and the other on a H-3). Our total energy calculations suggest that adsorption on the T-4-H-3 si...
Progressive structural and electronic properties of nano-structured carbon atomic chains Usanmaz, D.; Srivastava, G. P. (AIP Publishing, 2013-05-21) Ab initio calculations, based on the planewave pseudopotential method and the density functional theory, have been reported on the changes in the electronic and structural properties of short carbon atomic chains held rigidly between hydrogenated thin armchair graphene nanoribbons (N-a-AGNR) of dimer line numbers N-a = 4 and 5. We have considered chains of several lengths (n = 4-9 atoms) and with different forms of attachment with the AGNRs. It is found that odd-numbered chains are metallic in nature, with ...
Evidence for Collective Multiparticle Correlations in p-Pb Collisions Khachatryan, V.; et. al. (American Physical Society (APS), 2015-06-01) The second-order azimuthal anisotropy Fourier harmonics, nu(2), are obtained in p-Pb and PbPb collisions over a wide pseudorapidity (.) range based on correlations among six or more charged particles. The p-Pb data, corresponding to an integrated luminosity of 35 nb(-1), were collected during the 2013 LHC p-Pb run at a nucleon-nucleon center-of-mass energy of 5.02 TeV by the CMS experiment. A sample of semiperipheral PbPb collision data at root S-NN = 2.76 TeV, corresponding to an integrated luminosity of 2...
Progressive changes in surface structure and electronic properties on Si(001) surface by CaF2 adsorption Alzahrani, A. Z.; Usanmaz, D. (AIP Publishing, 2011-06-15) Ab initio calculations, based on pseudopotentials and density functional theory, have been performed to investigate the atomic geometry and electronic structures of calcium fluoride (CaF2) on the Si(001) surface. We have considered the experimentally observed (2 x 1) and (3 x 1) reconstructions with different bonding configurations of the CaF2 molecule on the Si(001) surface. Our total energy calculations suggest that the (3 x 1) structure is slightly more preferable than the (2 x 1). The key structural par...
Studies of Beauty Suppression via Nonprompt D-0 Mesons in Pb-Pb Collisions at root s(NN)=5.02 TeV Sirunyan, A. M.; et. al. (American Physical Society (APS), 2019-07-01) The transverse momentum spectra of D-0 mesons from b hadron decays are measured at midrapidity (vertical bar y vertical bar < 1) in pp and Pb-Pb collisions at a nucleon-nucleon center of mass energy of 5.02 TeV with the CMS detector at the LHC. The D-0 mesons from b hadron decays are distinguished from prompt D-0 mesons by their decay topologies. In Pb-Pb collisions, the B -> D-0 yield is found to be suppressed in the measured p(T) range from 2 to 100 GeV/c as compared to pp collisions. The suppression is w...

Citation Formats

M. Yalçın, A. Mehrabov, and M. V. Akdeniz, “Effects of Nanoparticle Geometry and Temperature on the Structural Evolution in FeCo Nanoalloys,” ACTA PHYSICA POLONICA A, pp. 600–602, 2014, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/48474.