Computer simulation of amorphous thin films of hard spheres

Kim, S.; Henderson, J.; Chaudhari, P.

doi:10.1016/0040-6090(77)90355-8

Cited by 63 publications

(13 citation statements)

References 4 publications

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“…Several studies have used off-lattice ballistic deposition models to simulate thin film growth. 3,12,13 The nonlattice models are appealing for simulating the growth of amorphous materials. However, they are more computationally intensive, particularly for some of the film characterization which we discuss below.…”

Section: Simulationsmentioning

confidence: 99%

Control of amorphous solid water morphology using molecular beams. II. Ballistic deposition simulations

Kimmel

Dohnálek

Stevenson

et al. 2001

The Journal of Chemical Physics

120

139

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Interaction of chlorodifluoromethane with ultrathin solid water filmsBallistic deposition simulations of thin film growth were performed. The results of the simulations are compared to experiments of N 2 adsorption by porous amorphous solid water thin films. The simulations are in qualitative agreement with the experimental observations: The porosity of the thin films is controlled by using a collimated beam to vapor deposit the films. Films with normal or near normal growth angles (ϳ0°) are relatively dense and smooth. Films with larger growth angles are highly porous and the average pore size increases as the growth angle increases. The simulations indicate that for growth angles greater than ϳ70°, adsorption into the largest pores is not possible leading to the experimentally observed maximum in N 2 adsorption by porous amorphous solid water at ϭ70°.

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Section: Simulationsmentioning

confidence: 99%

Control of amorphous solid water morphology using molecular beams. II. Ballistic deposition simulations

Kimmel

Dohnálek

Stevenson

et al. 2001

The Journal of Chemical Physics

120

139

View full text Add to dashboard Cite

show abstract

“…25 The films deposited at such conditions and at relatively low temperatures are mainly suffering from porous and columnar microstructure 19,26,27 which is more pronounced in oblique deposition. [25][26][27][28] While increased substrate temperature 25,[29][30][31][32] and/or increased adatom energy 25,31,32 leads to a void-free film. This is mainly due to the fact that low energy deposition encourages island growth but the growth mode changes to layerby-layer (Frank -van der Merwe) growth as the incident atom energy is increased to 10 eV.…”

Section: Introductionmentioning

confidence: 99%

Role of ionization fraction on the surface roughness, density, and interface mixing of the films deposited by thermal evaporation, dc magnetron sputtering, and HiPIMS: An atomistic simulation

Kateb

Hajihoseini

Guðmundsson

et al. 2019

Journal of Vacuum Science &Amp; Technology A: Vacuum, Surfaces, and Films

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We explore the effect of ionization fraction on the epitaxial growth of Cu film on Cu (111) substrate at room temperature. We compare thermal evaporation, dc magnetron sputtering (dcMS) and high power impulse magnetron sputtering (HiPIMS). Three deposition conditions i.e. fully neutral, 50 % ionized and 100 % ionized flux were considered as thermal evaporation, dcMS and HiPIMS, respectively, for ∼20000 adatoms. It is shown that higher ionization fraction of the deposition flux leads to smoother surfaces by two major mechanisms i.e. decreasing clustering in the vapor phase and bi-collision of high energy ions at the film surface. The bi-collision event consists of local amorphization which fills the gaps between islands followed by crystallization due to secondary collisions. We found bi-collision events to be very important to prevent island growth to become dominant and increase the surface roughness. Regardless of the deposition method, epitaxial Cu thin films suffer from stacking fault areas (twin boundaries) in agreement with recent experimental results. In addition, HiPIMS deposition presents considerable interface mixing while it is negligible in thermal evaporation and dcMS deposition, those present less adhesion accordingly.

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“…Of particular interest are atomic-level computer simulations of the structure and properties based on molecular dynamics (MD), Monte Carlo (MC), and energy-minimization methods [5,[14][15][16][17][18][19][22][23][24]. A salient feature of the present simulations is the incorporation of both surface diffusion and the peculiar pattern of vapor incidence resulting from rotation of airfoils while being coated by EB-PVD.…”

Section: Introductionmentioning

confidence: 99%

“…Background for this work is provided by a number of theoretical methods previously developed to gain a clearer insight into the mechanisms governing the microstructural development in thin films [5,[14][15][16][17][18][19][20][21]. Of particular interest are atomic-level computer simulations of the structure and properties based on molecular dynamics (MD), Monte Carlo (MC), and energy-minimization methods [5,[14][15][16][17][18][19][22][23][24].…”

Section: Introductionmentioning

confidence: 99%

A kinetic Monte Carlo simulation of film growth by physical vapor deposition on rotating substrates

Cho

Terry

LeSar

et al. 2005

Materials Science and Engineering: A

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Computer simulation of amorphous thin films of hard spheres

Cited by 63 publications

References 4 publications

Control of amorphous solid water morphology using molecular beams. II. Ballistic deposition simulations

Control of amorphous solid water morphology using molecular beams. II. Ballistic deposition simulations

Role of ionization fraction on the surface roughness, density, and interface mixing of the films deposited by thermal evaporation, dc magnetron sputtering, and HiPIMS: An atomistic simulation

A kinetic Monte Carlo simulation of film growth by physical vapor deposition on rotating substrates

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