Sintering of aluminum nanoparticles: A molecular dynamics study

Raut, Janhavi S.; Bhagat, R. B.; Fichthorn, Kristen A.

doi:10.1016/s0965-9773(98)00120-2

Cited by 89 publications

(84 citation statements)

References 10 publications

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“…With the same reasoning considered for size effects on the coalescence rate, the temperature rise during the coalescence is largest for the smallest water nanoclusters (with N ) 195). This observation can also be found during sintering of aluminum nanoparticles 16 and silicon nanoparticles. 18 Figure 8 illustrates the average number of hydrogen bonds per water molecule, n HB , at the three coalescence stages of two water nanoclusters at 300 K (initially) with N ) 195, 446, and 803, respectively.…”

Section: Resultssupporting

confidence: 59%

“…The temperature growth behavior during coalescence of water nanoclusters resembles the behavior of nanoparticles during sintering or coalescence. [16][17][18][19] It is also observed from Figure 4 Furthermore, since at a higher initial temperature the ratio of surface water molecules increases, 12 the coalescing action will be further activated due to the higher mobility of the surface water molecules as compared with the interior water molecules. Thus, the temperature fluctuation heightens at a greater initial temperature.…”

Section: Resultsmentioning

confidence: 97%

“…It is noted that this value was also appropriate for coalescence (or sintering) analysis of metal nanoparticles using molecular dynamics simulations. For instance, Raut et al 16 has investigated sintering of aluminum nanoparticles, and Arcidiacono et al 17 examined the coalescence of gold nanoparticles.…”

Section: Simulation Methodsmentioning

confidence: 99%

“…It is noticed that the NVE ensemble was also used by many researchers for sintering/coalescence simulations of nanoparticles. [16][17][18][19] Specifically, in the study of Raut et al 16 some simulations were also …”

Section: Simulation Methodsmentioning

confidence: 99%

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Coalescence Behavior of Water Nanoclusters: Temperature and Size Effects

Liao¹,

Yang

2007

J. Phys. Chem. C

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Temperature and size effects on coalescence behavior of water nanoclusters are investigated in this paper by means of molecular dynamics simulations. The flexible three-centered (F3C) water model is employed in the molecular dynamics simulations. To discuss the coalescence behavior, the whole coalescence process is separated into three stages, including the approaching stage, the coalescing stage, and the coalesced stage, according to the shrinkage evolution of the coalescence process. It is observed from the present study that, with a higher initial temperature and a smaller cluster size, the coalescence rate will amplify. The temperature and temperature fluctuation are highest at the coalescing stage, and the fluctuation is more apparent for a higher initial temperature and a smaller cluster size. Moreover, the average number of hydrogen bonds per water molecule will grow slightly after the coalescence of the water nanoclusters. Variations in the average number of hydrogen bonds during the coalescence increase for a higher initial temperature and a smaller cluster size.

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Section: Resultssupporting

confidence: 59%

Section: Resultsmentioning

confidence: 97%

Section: Simulation Methodsmentioning

confidence: 99%

Section: Simulation Methodsmentioning

confidence: 99%

See 2 more Smart Citations

Coalescence Behavior of Water Nanoclusters: Temperature and Size Effects

Liao¹,

Yang

2007

J. Phys. Chem. C

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“…The as-formed surface structure is a consequence of the surroundings and namely of the adsorption and desorption processes with the environment. The nano particles, generated on the crystal surface, are very topical -they are created by the same kinetic processes as the nuclei of the new phase during crystallization [ [8][9][10][11][12][13][14][15][16][17][18][19][20][21][22] ]. The solution of the problem is very complicated, because of the large amount of particles, adsorbed on the surface, because of the exceptional variety of possible particle structures, of possible particles interactions, affecting the process itself.…”

mentioning

confidence: 99%

Particle Collision Frequency and the Two-dimensional Particles Nucleation

Peev¹

2013

Proceeding BAS

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The process of two-dimensional particles formation on the crystal surface, which takes place during layer deposition (epitaxial growth, evaporation, magnetron sputtering, etc.) is the subject of the present paper. These processes are the basis of the phase transition and responsible for the nuclei formation of the new phase creating growth steps on the substrate. The approach, presented here, may be useful for the study of the crystallization mechanisms and namely the mechanism of two-dimensional nuclei formation and the mechanism, assisted by screw dislocations.

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Structural and Chemical Effects of Plasma Treatment on Close‐Packed Colloidal Nanoparticle Layers

Gehl¹,

Frömsdorf²,

Aleksandrovic³

et al. 2008

Adv Funct Materials

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The interaction of nitrogen, oxygen, and hydrogen plasmas with spin‐coated arrays of colloidal cobalt–platinum particles was investigated with a large variety of microscopic and spectroscopic techniques. It could be demonstrated that the organic ligands of the nanoparticles can be completely removed. Yet, due to the short (∼1.6 nm) interparticle distances within the layers, strong degradation and sintering effects are observed after hydrogen and nitrogen plasma treatments. In the case of oxygen plasma, the shape and size of the individual particles are unaffected and can be preserved, even if a short hydrogen plasma is subsequently applied to reduce the particles back to their metallic state. Nevertheless, the mesoscopic order of the particle arrays is slightly decreased as observed by the breakup of larger ordered areas into smaller domains forming island–trench structures. Probing the surface chemistry of the particles with temperature programmed desorption, a rather complex surface chemistry is found to result from the plasma treatments. The first TPD spectrum after the cleaning process with oxygen and subsequent hydrogen plasmas reveals that the particles are loaded with adsorbed and implanted hydrogen. After removal of this hydrogen, subsequent TPD spectra using CO as a probe molecule, show broad signals between 190 and 360 K pointing to nonmetallic surface properties. While the platinum was found to be completely reduced, XPS measurements reveal a remaining fraction of oxidic cobalt species which are enriched at the surface. Thus, although the structure of the close‐packed Co–Pt nanoparticle arrays can be qualitatively preserved during plasma‐based ligand removal, the treatment leads to a complex materials system the chemical properties of which are influenced by the particle components, the substrate, and the plasma media.

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Sintering of aluminum nanoparticles: A molecular dynamics study

Cited by 89 publications

References 10 publications

Coalescence Behavior of Water Nanoclusters: Temperature and Size Effects

Coalescence Behavior of Water Nanoclusters: Temperature and Size Effects

Particle Collision Frequency and the Two-dimensional Particles Nucleation

Structural and Chemical Effects of Plasma Treatment on Close‐Packed Colloidal Nanoparticle Layers

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