Onset of shadowing-dominated growth of Ag films in glancing angle deposition: Kinetic Monte Carlo simulation

Chen, Shuhan; Liang, Jingshu; Mo, Y. W.; Luo, Difan; Jiang, Shaoji

doi:10.1016/j.apsusc.2012.10.062

Cited by 16 publications

(6 citation statements)

References 38 publications

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“…Without this strategy, the simulation of the full multilayer growth would have been impossible. Furthermore, the same strategy is used in simulations of metallic growth 24 63 64 enabling a comparison with these studies.…”

Section: Discussionmentioning

confidence: 99%

Unravelling the multilayer growth of the fullerene C60 in real time

et al. 2014

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Molecular semiconductors are increasingly used in devices, but understanding of elementary nanoscopic processes in molecular film growth is in its infancy. Here we use real-time in situ specular and diffuse X-ray scattering in combination with kinetic Monte Carlo simulations to study C60 nucleation and multilayer growth. We determine a self-consistent set of energy parameters describing both intra- and interlayer diffusion processes in C60 growth. This approach yields an effective Ehrlich–Schwoebel barrier of EES=110 meV, diffusion barrier of ED=540 meV and binding energy of EB=130 meV. Analysing the particle-resolved dynamics, we find that the lateral diffusion is similar to colloids, but characterized by an atom-like Schwoebel barrier. Our results contribute to a fundamental understanding of molecular growth processes in a system, which forms an important intermediate case between atoms and colloids.

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Section: Discussionmentioning

confidence: 99%

Unravelling the multilayer growth of the fullerene C60 in real time

et al. 2014

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“…MD simulation can reproduce the results of experiments for pure metals or alloys, but the temporal scale of MD simulation is usually nano-second scale, at which it is sometimes hard to describe the evolution of NPMs, e.g., dealloying, microstructure coarsening. Kinetic Monte Carlo (KMC) simulations give the possibility for quantitative research which may be useful to guide some experiments on surface diffusion [ 48 ], surface growth [ 49 , 50 ], vacancy diffusion [ 51 , 52 ] and coarsening of domain evolution [ 53 , 54 ]. In KMC simulations, suppose that there are N events may occur which are indexed by the variable i , where 0 < i ≤ N .…”

Section: Simulation Methodsmentioning

confidence: 99%

The Role of Computer Simulation in Nanoporous Metals—A Review

Xia

Liu

et al. 2015

Materials

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Nanoporous metals (NPMs) have proven to be all-round candidates in versatile and diverse applications. In this decade, interest has grown in the fabrication, characterization and applications of these intriguing materials. Most existing reviews focus on the experimental and theoretical works rather than the numerical simulation. Actually, with numerous experiments and theory analysis, studies based on computer simulation, which may model complex microstructure in more realistic ways, play a key role in understanding and predicting the behaviors of NPMs. In this review, we present a comprehensive overview of the computer simulations of NPMs, which are prepared through chemical dealloying. Firstly, we summarize the various simulation approaches to preparation, processing, and the basic physical and chemical properties of NPMs. In this part, the emphasis is attached to works involving dealloying, coarsening and mechanical properties. Then, we conclude with the latest progress as well as the future challenges in simulation studies. We believe that highlighting the importance of simulations will help to better understand the properties of novel materials and help with new scientific research on these materials.

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“…[7][8][9] However, the later method cannot capture features and processes occurring beyond the nanosecond scale which limits its use to the very early stages of electrodeposition. In literature, both methods (MD and KMC) have been used with the embedded atom method (EAM) semiempirical potential to characterize metallic systems interactions, useful for many problems of interest such as diffusion of adatoms on metallic surfaces, [10,11] epitaxial growth, [12][13][14] mechanical properties investigation of metallic glass, [15,16] and metal electrodeposition. [17][18][19] In a combined experimental study with the KMC simulation, Wu et al [20] investigated the effect of process factors (temperature, electrode potential) on surface roughness of Cu-Sn-Zn thin film alloy by single-step electrodeposition.…”

Section: Introductionmentioning

confidence: 99%

Morphological Surface Study of Silver Electrodeposition by Kinetic Monte Carlo‐Embedded Atom Method

Ataalite

Dardouri

Hasnaoui

et al. 2022

Physica Status Solidi (b)

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Herein, a kinetic Monte Carlo (KMC) simulation of the 3D electrodeposition of Ag metal on Ag cathode surface is carried out under galvanostatic, different substrate temperatures, and current density conditions. Both deposition and diffusion processes are considered during the film electrodeposition, where each adatom diffuses via nearest‐neighbor hopping, exchange, and step‐edge atom exchange mechanisms. The interatomic interaction is described within the well‐known embedded atomic method (EAM) framework. The number of hopping, exchange, and step‐edge exchange mechanisms is evaluated using a power law of time n hop ∝ t α , n exch ∝ t β , and n step ∝ t γ , respectively. However, the step‐edge exchange mechanism depends on current density. The effects of deposited atom number, current density, and substrate temperature on the transitions of surface morphologies of the electrodeposited thin film are studied considering different combinations of the mechanisms. The results indicate that surface roughness increases when the number of deposited atoms and the current density increase, but when the substrate temperature increases the roughness decreases. In addition, the resulting surface has been found to be smooth if all diffusion mechanisms are involved in the electrodeposition phenomenon, while roughness occurs when diffusion takes place only via hopping mechanism. Furthermore, the surface roughness behavior is found to be related to clusters and islands distribution.

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Onset of shadowing-dominated growth of Ag films in glancing angle deposition: Kinetic Monte Carlo simulation

Cited by 16 publications

References 38 publications

Unravelling the multilayer growth of the fullerene C60 in real time

Unravelling the multilayer growth of the fullerene C60 in real time

The Role of Computer Simulation in Nanoporous Metals—A Review

Morphological Surface Study of Silver Electrodeposition by Kinetic Monte Carlo‐Embedded Atom Method

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