Coarse-grained molecular dynamics modeling of the kinetics of lamellar BCP defect annealing

Andrew J Peters, Richard A. Lawson, Benjamin D. Nation, Peter J. Ludovice, Clifford L. Henderson

Research output: Chapter in Book/Report/Conference proceedingConference contribution

6 Citations (Scopus)

Abstract

Directed self-assembly of block copolymers (BCPs) is a process that has received great interest in the field of nanomanufacturing in the past decade, and great strides towards forming high quality aligned patterns have been made. But state of the art methods still yield defectivities orders of magnitude higher than is necessary in semi-conductor fabrication even though free energy calculations suggest that equilibrium defectivities are much lower than is necessary for economic semi-conductor fabrication. This disparity suggests that the main problem may lie in the kinetics of defect removal. This work uses a coarse-grained model to study the rates, pathways, and dependencies of healing a common defect to give insight into the fundamental processes that control defect healing and give guidance on optimal process conditions for BCP-DSA. It is found that infinitely thick films yield an exponential drop in defect heal rate above ΧN ∼ 30. Below ΧN ∼ 30, the rate of transport was similar to the rate at which the transition state was reached so that the overall rate changed only slightly. The energy barrier in periodic simulations increased with 0.31 ΧN on average. Thin film simulations show no change in rate associated with the energy barrier below ΧN ∼ 50, and then show an increase in energy barrier scaling with 0.16ΧN. Thin film simulations always begin to heal at either the free interface or the BCP-underlayer interface where the increased A-B contact area associated with the transition state will be minimized, while the infinitely thick films must start healing in the bulk where the A-B contact area is increased. It is also found that cooperative chain movement is required for the defect to start healing.

Original languageEnglish (US)
Title of host publicationAlternative Lithographic Technologies VII
EditorsChristopher Bencher, Douglas J. Resnick
PublisherSPIE
Volume9423
ISBN (Electronic)9781628415254
DOIs
StatePublished - Jan 1 2015
EventAlternative Lithographic Technologies VII - San Jose, United States
Duration: Feb 23 2015Feb 26 2015

Other

OtherAlternative Lithographic Technologies VII
CountryUnited States
CitySan Jose
Period2/23/152/26/15

Fingerprint

Block Copolymers
Molecular Modeling
Dynamic Modeling
block copolymers
Annealing
Molecular Dynamics
Block copolymers
Molecular dynamics
Defects
Kinetics
healing
molecular dynamics
Energy barriers
annealing
defects
Defectivity
kinetics
Transition State
Thick films
Thin Films

Keywords

  • Block co-polymer
  • DSA
  • Directed self-assembly
  • Dissipative particle dynamics simulation
  • Hole multiplication
  • Hole shrink
  • Placement error

Cite this

Peters, A. J., Lawson, R. A., Nation, B. D., Ludovice, P. J., & Henderson, C. L. (2015). Coarse-grained molecular dynamics modeling of the kinetics of lamellar BCP defect annealing. In C. Bencher, & D. J. Resnick (Eds.), Alternative Lithographic Technologies VII (Vol. 9423). [94231Y] SPIE. https://doi.org/10.1117/12.2085518

Coarse-grained molecular dynamics modeling of the kinetics of lamellar BCP defect annealing. / Peters, Andrew J; Lawson, Richard A.; Nation, Benjamin D.; Ludovice, Peter J.; Henderson, Clifford L.

Alternative Lithographic Technologies VII. ed. / Christopher Bencher; Douglas J. Resnick. Vol. 9423 SPIE, 2015. 94231Y.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Peters, AJ, Lawson, RA, Nation, BD, Ludovice, PJ & Henderson, CL 2015, Coarse-grained molecular dynamics modeling of the kinetics of lamellar BCP defect annealing. in C Bencher & DJ Resnick (eds), Alternative Lithographic Technologies VII. vol. 9423, 94231Y, SPIE, Alternative Lithographic Technologies VII, San Jose, United States, 2/23/15. https://doi.org/10.1117/12.2085518
Peters AJ, Lawson RA, Nation BD, Ludovice PJ, Henderson CL. Coarse-grained molecular dynamics modeling of the kinetics of lamellar BCP defect annealing. In Bencher C, Resnick DJ, editors, Alternative Lithographic Technologies VII. Vol. 9423. SPIE. 2015. 94231Y https://doi.org/10.1117/12.2085518
Peters, Andrew J ; Lawson, Richard A. ; Nation, Benjamin D. ; Ludovice, Peter J. ; Henderson, Clifford L. / Coarse-grained molecular dynamics modeling of the kinetics of lamellar BCP defect annealing. Alternative Lithographic Technologies VII. editor / Christopher Bencher ; Douglas J. Resnick. Vol. 9423 SPIE, 2015.
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