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Journal of Micro and Nano-Manufacturing | Volume 4 | Issue 1 | research-article
Research Papers

Controlled Kinetic Monte Carlo Simulation for Computer-Aided Nanomanufacturing

[+] Author and Article Information
Yan Wang

Woodruff School of Mechanical Engineering,
Georgia Institute of Technology,
Atlanta, GA 30332
e-mail: yan.wang@me.gatech.edu

Contributed by the Manufacturing Engineering Division of ASME for publication in the JOURNAL OF MICRO- AND NANO-MANUFACTURING. Manuscript received March 21, 2014; final manuscript received August 22, 2015; published online September 23, 2015. Assoc. Editor: John P. Coulter.

J. Micro Nano-Manuf 4(1), 011001 (Sep 23, 2015) (10 pages) Paper No: JMNM-14-1017; doi: 10.1115/1.4031461 History: Received March 21, 2014; Revised August 22, 2015
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Kinetic Monte Carlo (KMC) is regarded as an efficient tool for rare event simulation and has been applied in simulating bottom–up self-assembly processes of nanomanufacturing. Yet it has limitations to simulate top–down processes. In this paper, a new and generalized KMC mechanism, called controlled KMC or controlled KMC (cKMC), is proposed to simulate complete physical and chemical processes. This generalization is enabled by the introduction of controlled events. In contrast to the traditional self-assembly events in KMC, controlled events occur at certain times, locations, or directions, which allows all events to be modeled. A formal model of cKMC is also presented to show the generalization. The applications of cKMC to several top–down and bottom–up processes are demonstrated.
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Figures

Grahic Jump Location
Fig. 1

Illustration of scanning probe lithography events

+Illustration of scanning probe lithography events
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Illustration of scanning probe lithography events
Grahic Jump Location
Fig. 4

Illustration of ionized PVD events

+Illustration of ionized PVD events
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Illustration of ionized PVD events
Grahic Jump Location
Fig. 5

cKMC model of NIL and the comparison between simulation and the SEM image from an experiment of a PMMA layer imprinted by a silicon dioxide mold. (a) SEM image of PMMA imprinted by silicon dioxide mold [45] (courtesy of Chou). (b) cKMC model of NIL process. (c) Species in NIL. (d) Surface roughness and angle estimated with particle coordinates from simulation result.

+cKMC model of NIL and the comparison between simulation and the SEM image from an experiment of a PMMA layer imprinted by a silicon dioxide mold. (a) SEM image of PMMA imprinted by silicon dioxide mold [45] (courtesy of Chou). (b) cKMC model of NIL process. (c) Species in NIL. (d) Surface roughness and angle estimated with particle coordinates from simulation result.
View Large  |  Save Figure  |  Download Slide (.ppt)
cKMC model of NIL and the comparison between simulation and the SEM image from an experiment of a PMMA layer imprinted by a silicon dioxide mold. (a) SEM image of PMMA imprinted by silicon dioxide mold [45] (courtesy of Chou). (b) cKMC model of NIL process. (c) Species in NIL. (d) Surface roughness and angle estimated with particle coordinates from simulation result.
Grahic Jump Location
Fig. 2

Illustration of FIB events

+Illustration of FIB events
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Illustration of FIB events
Grahic Jump Location
Fig. 3

Illustration of NIL events

+Illustration of NIL events
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Illustration of NIL events
Grahic Jump Location
Fig. 6

cKMC model of NIL and the comparison between simulation and the SEM image from an experiment of a PMMA layer imprinted by a Cr stamp. (a) SEM image of PMMA imprinted by a Cr stamp [46] (courtesy of Sotomayor Torres). (b) cKMC simulation result. (c) comparison of the pattern profile between simulation and measurement.

+cKMC model of NIL and the comparison between simulation and the SEM image from an experiment of a PMMA layer imprinted by a Cr stamp. (a) SEM image of PMMA imprinted by a Cr stamp [46] (courtesy of Sotomayor Torres). (b) cKMC simulation result. (c) comparison of the pattern profile between simulation and measurement.
View Large  |  Save Figure  |  Download Slide (.ppt)
cKMC model of NIL and the comparison between simulation and the SEM image from an experiment of a PMMA layer imprinted by a Cr stamp. (a) SEM image of PMMA imprinted by a Cr stamp [46] (courtesy of Sotomayor Torres). (b) cKMC simulation result. (c) comparison of the pattern profile between simulation and measurement.

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