Monte Carlo and Molecular Dynamics Studies of the Effects of Additives in Electrodeposition

Kaneko, Yutaka; Nishimura, Shuichi; Hiwatari, Yasuaki; Ohara, Katsuhiko; Asa, Fujio

doi:10.3938/jkps.54.1207

Cited by 3 publications

(7 citation statements)

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“…The rate constants for the adsorption and desorption are denoted as k n + and k n , respectively, and the following relation is assumed (5, 6). [4] ,…”

Section: Reactionsmentioning

confidence: 97%

“…ii) The type of reaction (adsorption or desorption) is decided using the rate constants [4] and random numbers. One of the cations (or metal atoms) is chosen from the list of the candidates.…”

Section: Algorithmmentioning

confidence: 99%

“…The interaction between the additive molecules is assumed to be Lennard-Jones potential [1]. The parameters are chosen to prevent the clustering of the additives ; metal-add = 2.918 10 -21 [J] and add = 6.862 [ ] (4). The interaction between the additives and the surface metal atoms is also modeled by the Lennard-Jones potential.…”

Section: Simulation Conditionsmentioning

confidence: 99%

“…i) The surface metal atoms and the cations near the surface are searched to make the list of the candidates for reactions. ii) The type of reaction (adsorption or desorption) is decided using the rate constants [4] and random numbers. One of the cations (or metal atoms) is chosen from the list of the candidates.…”

Section: Algorithmmentioning

confidence: 99%

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Molecular Simulation Approach to the Effects of Additives in Electrodeposition Process

et al. 2009

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The leveling effect of additives in electrodeposition has been studied using a simplified model for inhibitors by the combined method of molecular dynamics and Monte Carlo simulations. The additive molecule is assumed to be a spherical particle which has an action range around its center in which the metal deposition is inhibited. The interaction between the additives and the electrode is modeled by a simple Lennard-Jones potential. The dependence of the leveling efficiency on the action range and the interaction energy has been studied by a series of simulations of filling grooves. It is shown that high throwing power is obtained for the additives with large interaction energy with the electrode.

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“…The rate constants for the adsorption and desorption are denoted as k n + and k n , respectively, and the following relation is assumed (5, 6). [4] ,…”

Section: Reactionsmentioning

confidence: 97%

Section: Algorithmmentioning

confidence: 99%

Section: Simulation Conditionsmentioning

confidence: 99%

Section: Algorithmmentioning

confidence: 99%

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Molecular Simulation Approach to the Effects of Additives in Electrodeposition Process

et al. 2009

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“…The SOS method also does not account for vacancies, motivating Kaneko and co-workers [24][25][26] to introduce the solid-by-solid (SBS) method to address this limitation. However, the SBS method suffers from the same limitations as the SOS in that it does not accurately describe the microstructure of the metal crystal.…”

Section: Introductionmentioning

confidence: 99%

Kinetic Monte Carlo simulation of electrodeposition using the embedded-atom method

Treeratanaphitak

Pritzker

Abukhdeir

2014

Electrochimica Acta

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A kinetic Monte Carlo (KMC) method for deposition is presented and applied to the simulation of electrodeposition of a metal on a single crystal surface of the same metal under galvanostatic conditions. This method utilizes the multi-body embedded-atom method (EAM) potential to characterize the interactions of metal atoms and adatoms. The method accounts for collective surface diffusion processes, in addition to nearest-neighbor hopping, including atom exchange and step-edge atom exchange. Steady-state deposition configurations obtained using the KMC method are validated by comparison with the structures obtained through the use of molecular dynamics (MD) simulations to relax KMC constraints. The results of this work support the use of the proposed KMC method to simulate electrodeposition processes at length (microns) and time (seconds) scales that are not feasible using other methods.

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Modeling and Simulation

Kaneko

2013

Copper Electrodeposition for Nanofabrication of Electronics Devices

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Monte Carlo and Molecular Dynamics Studies of the Effects of Additives in Electrodeposition

Cited by 3 publications

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Molecular Simulation Approach to the Effects of Additives in Electrodeposition Process

Molecular Simulation Approach to the Effects of Additives in Electrodeposition Process

Kinetic Monte Carlo simulation of electrodeposition using the embedded-atom method

Modeling and Simulation

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