A combined molecular dynamics/Monte Carlo simulation of Cu thin film growth on TiN substrates: Illustration of growth mechanisms and comparison with experiments

Namakian, Reza; Novak, Brian; Zhang, Xiaoman; Meng, W. J.; Moldovan, Dorel

doi:10.1016/j.apsusc.2021.151013

Cited by 12 publications

(4 citation statements)

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“…In this study, sequential molecular dynamic time-stepped force bias Monte Carlo simulations were employed to simulate the deposition process and illustrate the growth mechanism of Cu thin film on TiN substrates. The result of this study was a comparison of kinetic Monte Carlo simulations of 2D islands of Cu thin film on TiN substrates and a demonstration of behavior and characteristics observed during the initial stage of growth [ 39 ].…”

Section: Modeling Techniquesmentioning

confidence: 99%

“…An example of using Monte Carlo with a combination of molecular dynamic simulations was a study conducted by Namakian et al (2021) [39]. In this study, sequential molecular dynamic time-stepped force bias Monte Carlo simulations were employed to simulate the deposition process and illustrate the growth mechanism of Cu thin film on TiN substrates.…”

Section: Monte Carlo Simulationsmentioning

confidence: 99%

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Modeling of Magnetic Films: A Scientific Perspective

Misiurev,

Holcman

2024

Materials

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Magnetic thin-film modeling stands as a dynamic nexus of scientific inquiry and technological advancement, poised at the vanguard of materials science exploration. Leveraging a diverse suite of computational methodologies, including Monte Carlo simulations and molecular dynamics, researchers meticulously dissect the intricate interplay governing magnetism and thin-film growth across heterogeneous substrates. Recent strides, notably in multiscale modeling and machine learning paradigms, have engendered a paradigm shift in predictive capabilities, facilitating a nuanced understanding of thin-film dynamics spanning disparate spatiotemporal regimes. This interdisciplinary synergy, complemented by avantgarde experimental modalities such as in situ microscopy, promises a tapestry of transformative advancements in magnetic materials with far-reaching implications across multifaceted domains including magnetic data storage, spintronics, and magnetic sensing technologies. The confluence of computational modeling and experimental validation heralds a new era of scientific rigor, affording unparalleled insights into the real-time dynamics of magnetic films and bolstering the fidelity of predictive models. As researchers chart an ambitiously uncharted trajectory, the burgeoning realm of magnetic thin-film modeling burgeons with promise, poised to unlock novel paradigms in materials science and engineering. Through this intricate nexus of theoretical elucidation and empirical validation, magnetic thin-film modeling heralds a future replete with innovation, catalyzing a renaissance in technological possibilities across diverse industrial landscapes.

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Section: Modeling Techniquesmentioning

confidence: 99%

Section: Monte Carlo Simulationsmentioning

confidence: 99%

Modeling of Magnetic Films: A Scientific Perspective

Misiurev,

Holcman

2024

Materials

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“…Their results showed that interdiffusion of less than 10 nm occurs at the Cu/Si interface. Namakian and Novak [28] simulated the deposition of Cu films on TiN substrates using a combined molecular dynamics/Monte Carlo approach. The simulation results are compared with experimental results, and the deposition mechanism is verified.…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics simulations and analyzation of Cu deposited on stainless steel substrate surfaces

Ying,

Zewei,

Meiling

et al. 2024

Surf. Topogr.: Metrol. Prop.

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Copper (Cu) is used in integrated circuits and microdevices and has the potential to replace aluminum alloys due to its low resistivity, strong electromigration properties, and affordability. However, a significant factor that influences the performance of devices at the micro and nano scales is the surface roughness of the deposits. LAMMPS software is employed to simulate the deposition Cu on an ideal state for a stainless-steel substrate. The deposition process and deformation behavior of Cu on the surface and the roughness of the deposition surface are analyzed. Taking the deposition process of Cu atoms as an object, the effects of different atomic numbers, different temperatures, different velocities, and different heights on the surface roughness of the deposits were investigated. The atomic structure composition of the deposition velocity is analyzed, and the radial distribution function is analyzed to reveal the microscopic mechanism of action. The results of the theoretical deposition and analysis show that the surface roughness increases with the number of atoms deposited and decreases with increasing substrate temperature. The surface roughness first decreases and then, after some fluctuation, stays constant at a particular level with increasing velocity. Additionally, as the deposition height increases, the surface roughness reduces. There is a nonlinear relationship between the various components and the deposited surface roughness. The surface quality of deposits can be improved during the deposition process by optimizing the deposition parameters of deposition atoms, substrate temperature, deposition velocity, and deposition height.

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“…Moreover, local heating due to intense ion irradiation may also play a role in the film morphological evolution during HiPIMS. An atomistic picture of film growth can be provided by Molecular Dynamics (MD) simulations, which have been employed in the past decade for modeling film growth at conditions consistent with both DCMS and HiPIMS [21][22][23].…”

Section: Introductionmentioning

confidence: 99%

Growth of Nb Films on Cu for Superconducting Radio Frequency Cavities by Direct Current and High Power Impulse Magnetron Sputtering: A Molecular Dynamics and Experimental Study

Ghaemikermani,

Lopez-Cazalilla,

Sarakinos

et al. 2023

Preprint

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A combined molecular dynamics/Monte Carlo simulation of Cu thin film growth on TiN substrates: Illustration of growth mechanisms and comparison with experiments

Cited by 12 publications

References 50 publications

Modeling of Magnetic Films: A Scientific Perspective

Modeling of Magnetic Films: A Scientific Perspective

Molecular dynamics simulations and analyzation of Cu deposited on stainless steel substrate surfaces

Growth of Nb Films on Cu for Superconducting Radio Frequency Cavities by Direct Current and High Power Impulse Magnetron Sputtering: A Molecular Dynamics and Experimental Study

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