Multiscale modeling of CVD film growth—a review of recent works

Dollet, Alain

doi:10.1016/j.surfcoat.2003.09.040

Cited by 60 publications

(35 citation statements)

References 38 publications

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“…Seven different sizes were simulated, i.e. of side 2,4,8,16,32,64, and 128 nm, and the film thickness has been kept constant at nm 2 for all sizes. The temperature range was K 750 50 − , with an interval of K 10 within the temperature range of K 550 250 − and with K 50 interval for the remaining temperature range.…”

Section: Molecular Dynamics (Md) Simulationsmentioning

confidence: 99%

Linking simulations and experiments for the multiscale tracking of thermally induced martensitic phase transformation in NiTi SMA

Gur

Frantziskonis

2016

Modelling Simul. Mater. Sci. Eng.

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Martensitic phase transformation in NiTi shape memory alloys (SMA) occurs over a hierarchy of spatial scales, as evidenced from observed multiscale patterns of the martensitic phase fraction, which depend on the material microstructure and on the size of the SMA specimen. This paper presents a methodology for the multiscale tracking of the thermally induced martensitic phase transformation process in NiTi SMA. Fine scale stochastic phase field simulations are coupled to macroscale experimental measurements through the compound wavelet matrix method (CWM). A novel process for obtaining CWM fine scale wavelet coefficients is used that enhances the effectiveness of the method in transferring uncertainties from fine to coarse scales, and also ensures the preservation of spatial correlations in the phase fraction pattern. Size effects, well-documented in the literature, play an important role in designing the multiscale tracking methodology. Molecular dynamics (MD) simulations are employed to verify the phase field simulations in terms of different statistical measures and to demonstrate size effects at the nanometer scale. The effects of thermally induced martensite phase fraction uncertainties on the constitutive response of NiTi SMA is demonstrated.

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Section: Molecular Dynamics (Md) Simulationsmentioning

confidence: 99%

Linking simulations and experiments for the multiscale tracking of thermally induced martensitic phase transformation in NiTi SMA

Gur

Frantziskonis

2016

Modelling Simul. Mater. Sci. Eng.

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“…The traditional procedure to perform sequential multiscale modelling is to solve first the finer scales and then passing on the information from this small scale to the coarser scales (bottom-up approach). This approach has been extensively used to study several engineering applications, especially those related to the nucleation and growth of solid materials at the micro and nanoscale level, for example chemical vapour deposition (Rodgers and Jensen, 1998;Dollet, 2004;Moscatelli et al, 2005), microdefect formations in crystal growth (Sinno and Brown, 1999), void formation in metallic thinfilm interconnects (Gungor et al, 1999) and in sputter deposition for giant-magneto-resistive thin films (Ghosal et al, 2004).…”

Section: Sequential Multiscale Approachmentioning

confidence: 99%

“…However, reviews that address typical multiscale problems found in specific areas in engineering and science are currently available. For example Sherwood et al (2008) published a review with the multiscale modelling methods for bio-molecular systems, Dollet (2004) published a review on multiscale problems found in different Chemical Vapour Deposition (CVD) processes, Muller-Plathe (2002) published a review that focused on multiscale problems found in polymers science, Raimondeau and Vlachos (2002) revised multiscale problems in reaction engineering, Vlachos (2005) made a review on multiscale problems that arise in systems biology and materials science.…”

Section: Introductionmentioning

confidence: 99%

Current challenges in the design and control of multiscale systems

Ricardez‐Sandoval

2011

Can J Chem Eng

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Multiscale modelling is a new emerging field in process systems engineering. Although the idea of linking events occurring across time and length scales is not new, the numerical solution of these models is challenging because of computational limitations and the difficulty in coupling modelling methods with different characteristics. Although an extensive set of tools are currently available to improve the performance of processes described using continuum models, most of these tools are not suitable to design and control a multiscale process. This work presents the approaches that are currently available to perform multiscale modelling and identifies the key challenges that need to be addressed to improve the performance of macroscopic processes by controlling events occurring at the atomistic, molecular and nanoscopic levels.

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“…An effective reactivity map indicates the change in the local effective reactivity over the source plane. Knowing this, the local effective reactivity can be calculated as Equation 4.…”

Section: Generation Of Effective Reactivity Mapmentioning

confidence: 99%

“…However, this method of coupling is inaccurate because surface topography can greatly increase the surface area exposed to the gas, which may increase the deposition reaction rate. [4] This means that in order to have an accurate multi-scale model there must be bi-directional coupling. When the scales are bi-directionally coupled information is passed to and from both scales.…”

Section: Introductionmentioning

confidence: 99%

Comparison of Coupling Methods for Linking Between Reactor and Feature Scales

Jilesen

Lien

2010

Chemical Vapor Deposition

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Currently there are two main methods used for coupling macroscopic reactor-scale and microscopic feature-scale models in multi-scale CVD simulation. These methods differ in the plane selected for coupling. With one method, coupling occurs at a source plane offset from the deposition surface, while in the other method coupling occurs on the deposition surface itself. The two methods also have different feature-scale modeling techniques associated with them. A Monte Carlo (MC) technique is used for the source plane-coupling method, while a ballistic transport technique is used for the deposition surface-coupling method. In this study a multi-scale code with a ballistic feature-scale model is modified so that both coupling methods can be applied, allowing for direct comparison of the two coupling methods.

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Multiscale modeling of CVD film growth—a review of recent works

Cited by 60 publications

References 38 publications

Linking simulations and experiments for the multiscale tracking of thermally induced martensitic phase transformation in NiTi SMA

Linking simulations and experiments for the multiscale tracking of thermally induced martensitic phase transformation in NiTi SMA

Current challenges in the design and control of multiscale systems

Comparison of Coupling Methods for Linking Between Reactor and Feature Scales

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