Dataset Information

Coarse-Grained Modeling of EUV Patterning Process Reflecting Photochemical Reactions and Chain Conformations.

ABSTRACT: Enabling extreme ultraviolet lithography (EUVL) as a viable and efficient sub-10 nm patterning tool requires addressing the critical issue of reducing line edge roughness (LER). Stochastic effects from random and local variability in photon distribution and photochemical reactions have been considered the primary cause of LER. However, polymer chain conformation has recently attracted attention as an additional factor influencing LER, necessitating detailed computational studies with explicit chain representation and photon distribution to overcome the existing approach based on continuum models and random variables. We developed a coarse-grained molecular simulation model for an EUV patterning process to investigate the effect of chain conformation variation and stochastic effects via photon shot noise and acid diffusion on the roughness of the pattern. Our molecular simulation demonstrated that final LER is most sensitive to the variation in photon distributions, while material distributions and acid diffusion rate also impact LER; thus, the intrinsic limit of LER is expected even at extremely suppressed stochastic effects. Furthermore, we proposed and tested a novel approach to improve the roughness by controlling the initial polymer chain orientation.

SUBMITTER: Kim TY

PROVIDER: S-EPMC10180770 | biostudies-literature | 2023 Apr

REPOSITORIES: biostudies-literature

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Coarse-Grained Modeling of EUV Patterning Process Reflecting Photochemical Reactions and Chain Conformations.

Kim Tae-Yi TY Kang In-Hwa IH Park Juhae J Kim Myungwoong M Oh Hye-Keun HK Hur Su-Mi SM

Polymers 20230422 9

Enabling extreme ultraviolet lithography (EUVL) as a viable and efficient sub-10 nm patterning tool requires addressing the critical issue of reducing line edge roughness (LER). Stochastic effects from random and local variability in photon distribution and photochemical reactions have been considered the primary cause of LER. However, polymer chain conformation has recently attracted attention as an additional factor influencing LER, necessitating detailed computational studies with explicit ch ...[more]

PMID: 37177136

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Project description:Efficient coarse-grained (CG) models can be coupled with atomistic force fields to accelerate the sampling of atomistic energy landscapes in the multi-scale enhanced sampling (MSES) framework. This approach may be particularly suitable for generating atomistic conformational ensembles of intrinsically disordered proteins (IDPs). While MSES is relatively robust to inherent CG artifacts, achieving optimal sampling efficiency requires CG modeling to generate the local and long-range fluctuations that are largely consistent with those at the atomistic level. Here, we describe a new hybrid resolution CG model (HyRes) for MSES simulations of disordered protein states, which is specifically designed to provide semi-quantitative secondary structure propensities together with a qualitative description of long-range nonspecific interactions. The HyRes model contains an atomistic description of the backbone with intermediate resolution side chains. The secondary structure propensities are tuned by adjusting the backbone hydrogen-bonding strength and the ϕ/ψ torsion profile. The sizes and covalent geometries of the side chains are parameterized to reproduce distributions derived from atomistic simulations. Lennard-Jones parameters for sidechain beads are assigned to reproduce statistical potentials derived from the protein structural database, and then globally parameterized with nonspecific electrostatic interactions to reproduce the free energy profiles of pair wise interactions and the key conformational properties of model peptides. Application of HyRes to MSES simulations of small IDPs suggests that it is capable of driving faster structural transitions at the atomistic level and increasing the convergence rate compared to the Cα-only Gō-like models previously utilized. With further optimization, we believe that the new CG model could greatly improve the efficiency of MSES simulations of the larger and more complex IDPs frequently involved in cellular signalling and regulation.

Dataset Information

Coarse-Grained Modeling of EUV Patterning Process Reflecting Photochemical Reactions and Chain Conformations.

Publications

Coarse-Grained Modeling of EUV Patterning Process Reflecting Photochemical Reactions and Chain Conformations.

Similar Datasets

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