Pop-up of atoms among copper 13-atom island on Ag(1 1 1)

Hayat, Sardar Sikandar

doi:10.1016/j.commatsci.2010.12.003

Cited by 7 publications

(4 citation statements)

References 36 publications

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“…The lattice parameter for Au at different temperatures is calculated using these potentials. [37] The calculated lattice parameters agree well with the experimental values (see Ref. [37] for graphical representation).…”

Section: Resultssupporting

confidence: 75%

“…[37] The calculated lattice parameters agree well with the experimental values (see Ref. [37] for graphical representation).…”

Section: Resultssupporting

confidence: 75%

“…The results presented in this work are reliable as they have been obtained using a well established set of computer programs, which have produced reasonable results for other fcc metals. [11,[16][17][18][19]36,37,[39][40][41][42][43] The simulated results of interaction energy with twin boundaries of vacancy clusters are satisfactory in the sense that the atomic relaxations are all consistent with what might be anticipated using the hard sphere model and are comparable to the results of the previous findings. [32,36] 4.…”

Section: Plane (1 2 0) Twin Boundarysupporting

confidence: 64%

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Interaction of point defects with twin boundaries in Au: A molecular dynamics study

Hussain¹,

Hayat²,

Shah³

et al. 2013

Chinese Phys. B

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The molecular dynamics simulation technique with many-body and semi-empirical potentials (based on the embedded atom method potentials) has been used to calculate the interactions of point defects with (1 1 1), (1 1 3), and (1 2 0) twin boundaries in Au at different temperatures. The interactions of single-, di-, and tri-vacancies (at on- and off-mirror sites) with the twin interfaces at 300 K are calculated. All vacancy clusters are favorable at the on-mirror arrangement near the (1 1 3) twin boundary. Single- and di-vacancies are more favorable at the on-mirror sites near the (1 1 1) twin boundary, while they are favorable at the off-mirror sites near the (1 2 0) twin boundary. Almost all vacancy clusters energetically prefer to lie in planes closest to the interface rather than away from it, except for tri-vacancies near the (1 2 0) interface at the off-mirror site and for 3.3 and 3.4 vacancy clusters at both sites near the (1 1 1) interface, which are favorable away from the interface. The interaction energy is high at high temperatures.

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Section: Resultssupporting

confidence: 75%

“…[37] The calculated lattice parameters agree well with the experimental values (see Ref. [37] for graphical representation).…”

Section: Resultssupporting

confidence: 75%

Section: Plane (1 2 0) Twin Boundarysupporting

confidence: 64%

See 1 more Smart Citation

Interaction of point defects with twin boundaries in Au: A molecular dynamics study

Hussain¹,

Hayat²,

Shah³

et al. 2013

Chinese Phys. B

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“…Anharmonic features near the Cu island at the Ag(111) surface have been studied. In different studies near the islands, the generation of fissures, vacancies, and dislocations are observed, during the island's diffusion on the surface …”

Section: Introductionmentioning

confidence: 99%

A study of surface diffusion of ternary (Cu‐Ag‐Zr) adatoms clusters for applications in thin film formation

Imran¹,

Hussain

Hayat

et al. 2019

Surface & Interface Analysis

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This study presents the diffusion of heterogeneous ternary (Cu-Ag-Zr) adatoms clusters on Ag(111) using molecular dynamics techniques which could be important for the surface phenomena's and helpful for the ternary cluster's growth and formation of ternary alloy-based thin films. The mechanism of nanoscale surface diffusion is investigated for 1Cu-1Ag-1Zr, 2Cu-2Ag-2Zr, 3Cu-3Ag-3Zr, and 4Cu-4Ag-4Zr clusters at temperatures 300, 500, and 700 K. The diffusion mechanism displays that the diffusion of trimer cluster exhibits hopping, sliding, and shearing at 300 K, whereas for hexamer, nonamer, and decamer, the diffusion rate is low; however, breathing, anchoring, and concentrated motion dominates. At 500 K, trimer and hexamer show the process of atomic exchange; however, the atomic exchange is not observed in the case of nonamer and decamer diffusion. The atomic exchange mechanism of Cu and Zr adatoms dominates at 700 K for all size clusters, except Ag adatoms, where Zr adatoms show a relatively more tendency. Separation and rejoining of the one and two adatoms (likely Zr adatom) are also witnessed at high temperature. The pop-up of Ag adatoms also occurs in very short intervals over the remaining adatoms of clusters. Interestingly, during trimer diffusion, the adsorption of the Zr-or Cuadatom among the trimer cluster into the substitutional site is found. At 700 K, vacancy generation, filling of vacancies, and migration of vacancy, in the neighborhood of the adatoms cluster, also observed. Moreover, the rate of diffusion decreases with the size increase of the clusters and increases with the increase in temperature.

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Sintering and deposition of nanoparticles on surface of metals: A molecular dynamics approach

Hussain

Hayat

Imran

et al. 2012

Computational Materials Science

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Pop-up of atoms among copper 13-atom island on Ag(1 1 1)

Cited by 7 publications

References 36 publications

Interaction of point defects with twin boundaries in Au: A molecular dynamics study

Interaction of point defects with twin boundaries in Au: A molecular dynamics study

A study of surface diffusion of ternary (Cu‐Ag‐Zr) adatoms clusters for applications in thin film formation

Sintering and deposition of nanoparticles on surface of metals: A molecular dynamics approach

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