Freezing structures of free silver nanodroplets: A molecular dynamics simulation study

Tian, Zean; Rang-Su, Liu; Peng, Ping; Hou, Zhaoyang; Liu, Hairong; Zheng, Caixing; Dong, Kun; Yu, Aibing

doi:10.1016/j.physleta.2009.02.041

Cited by 37 publications

(19 citation statements)

References 26 publications

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“…Crystallization process, sequence of crystalline structures, cohesive energy of silver form molecular dynamics simulations have been found nearly accurate as reported results in the Refs. [48][49].…”

Section: Simulation Detailsmentioning

confidence: 99%

Evolution of nanostructure and mechanical properties of silver nano-particle in the confined region between graphene sheets: An atomistic investigation

Kumar

Das

Pattanayek

2018

Computational Materials Science

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Solidification and organization of silver nano-particle in a confined region between graphene sheets, shows much importance for the various application in the field of biomedical, electrochemical, coating materials, catalyst, metal-matrix nanocomposite etc. To understand the processes involved, we have studied the atomistic behaviour of solidification, organizations and mechanical properties of silver nano-particle in the bulk and as well as in confined region by molecular dynamics simulations. In the bulk, silver nano-particle shows phase transition from liquid to crystalline phase at a temperature, T ≈ 1030 ± 25 K. However, in the confined region, silver nano-particle depicts the same phase transition at a relatively higher temperature. The tensile stress, initiation of cracks and subsequent detachment of silver during tensile deformation depends upon the temperature and interfacial interactions. The tuning of 12-6 Lennard Jones interaction potential energy parameter between graphene and silver (− ε) Ag C drastically influenced the phase transition of silver nano-particle in the confined region. At a high interaction potential energy (− ε) Ag C , silver nano-particle shows good wettability over the graphene sheets and depicts the phase transition at a higher temperature compared to lower interaction potential energy.

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Section: Simulation Detailsmentioning

confidence: 99%

Evolution of nanostructure and mechanical properties of silver nano-particle in the confined region between graphene sheets: An atomistic investigation

Kumar

Das

Pattanayek

2018

Computational Materials Science

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“…As the cooling rates are in the range of 10 11 e10 12 K s À1 , the coexistence structures of the metastable with stable crystalline phase will be formed [32]. But the theoretical critical cooling rate is obtained for free Ag nanoclusters [33], the effect of surrounding conditions was not taken into consideration. Surrounded by a glassy chalcogenide, amorphous structures of Ag nanoparticles can seemingly be freezed at lower cooling rates.…”

Section: Resultsmentioning

confidence: 99%

Locally formation of Ag nanoparticles in chalcogenide phase change thin films induced by nanosecond laser pulses

Huang

Zhang

Wang

et al. 2012

Materials Chemistry and Physics

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“…6b. The applicability of LSC can also be shown in the characterization of the inner structures of a nanocluster, which is obtained by means of molecular dynamics simulation through rapid cooling [20]. With QSC many-body potential a droplet containing 5, 000 silver atoms was cooled from 1273 K to 273 K at the cooling rate of 1.0×10 11 K/s.…”

Section: Lsc In Atomic Systemsmentioning

confidence: 99%

A method for structural analysis of disordered particle systems

Tian

Dong

2013

AIP Conference Proceedings

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Abstract. We present a brief overview of a method which can identify different 3D local structures in ordered and disordered systems. Its effectiveness is demonstrated in the analysis of the structures of sphere packings, the structural evolution of a rapid cooling process of silver liquid, and the inner structure of a metal nanocluster. Quantifying local structures by means of a topological criterion, this method is parameter-free and scale-independent, and can generally be used for structural analysis of amorphous systems involving atoms or particles at different length scales.

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Freezing structures of free silver nanodroplets: A molecular dynamics simulation study

Cited by 37 publications

References 26 publications

Evolution of nanostructure and mechanical properties of silver nano-particle in the confined region between graphene sheets: An atomistic investigation

Evolution of nanostructure and mechanical properties of silver nano-particle in the confined region between graphene sheets: An atomistic investigation

Locally formation of Ag nanoparticles in chalcogenide phase change thin films induced by nanosecond laser pulses

A method for structural analysis of disordered particle systems

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