Molecular simulation study on adhesions and deformations for Polymethyl Methacrylate (PMMA) resist in nanoimprint lithography

Kwon, Soon-Kak; Lee, Young-Min; Park, Jaeshin; Im, Seyoung

doi:10.1007/s12206-011-0709-0

Cited by 10 publications

(8 citation statements)

References 35 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The MD simulation of the all-atom model used the consistent valence force field (CVFF) to obtain the potential parameters for the intermolecular and intramolecular interactions [21,34,36]. The non-bonded interaction energy at the PP-mold insert interface directly determined the adhesion force, which was one of the important factors affecting the demolding quality.…”

Section: Methodsmentioning

confidence: 99%

“…At present, the MD method has been widely applied to most of the research areas, such as the nanoimprint lithography technology [21,22,23], the micro-injection molding technology [24,25,26], the direct injection joining technology [27,28], the calculation of interfacial adhesion [29,30], and the simulation of self-assembled monolayer [31]. For the study of polymer molding, the MD method was mainly used by researchers to analyze the influences of nanostructure shapes [22,23,27,32], the mold insert and polymer materials [30,33], the anti-stick treatment of surface [32,34], the processing parameters [26,32], and other factors on the molding qualities. However, the above studies mainly focus on the nanoimprint lithography technology, and there are few reports on the micro-injection molding.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Molecular Dynamics Simulation on the Influences of Nanostructure Shape, Interfacial Adhesion Energy, and Mold Insert Material on the Demolding Process of Micro-Injection Molding

et al. 2019

View full text Add to dashboard Cite

In micro-injection molding, the interaction between the polymer and the mold insert has an important effect on demolding quality of nanostructure. An all-atom molecular dynamics simulation method was performed to study the effect of nanostructure shape, interfacial adhesion energy, and mold insert material on demolding quality of nanostructures. The deformation behaviors of nanostructures were analyzed by calculating the non-bonded interaction energies, the density distributions, the radii of gyration, the potential energies, and the snapshots of the demolding stage. The nanostructure shape had a direct impact on demolding quality. When the contact areas were the same, the nanostructure shape did not affect the non-bonded interaction energy at PP-Ni interface. During the demolding process, the radii of gyration of molecular chains were greatly increased, and the overall density was decreased significantly. After assuming that the mold insert surface was coated with an anti-stick coating, the surface burrs, the necking, and the stretching of nanostructures were significantly reduced after demolding. The deformation of nanostructures in the Ni and Cu mold inserts were more serious than that of the Al2O3 and Si mold inserts. In general, this study would provide theoretical guidance for the design of nanostructure shape and the selection of mold insert material.

show abstract

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulation on the Influences of Nanostructure Shape, Interfacial Adhesion Energy, and Mold Insert Material on the Demolding Process of Micro-Injection Molding

et al. 2019

View full text Add to dashboard Cite

show abstract

“…These results provided a basis for studying the physical and chemical changes of SAMs surface with low surface energy. Kwon et al [21] studied the effect of FOTS SAMs on the imprinting quality by molecular dynamics method. The self-assembled alkanethiols is also an alternative in anti-adhesion application, since the alkanethiol monolayers could be effectively adsorbed on metal surface.…”

Section: Introductionmentioning

confidence: 99%

Self-Assembled Monolayers of Alkanethiols on Nickel Insert: Characterization of Friction and Analysis on Demolding Quality in Microinjection Molding

et al. 2021

View full text Add to dashboard Cite

When the part geometry scaling down from macro to microscale level, the size-induced surface effect becomes significant in the injection molding process. The adhesion between polymer and nickel (Ni) mold insert during the process can lead to defects in necking, warping and deformation of microstructure. In this study, the self-assembled monolayers (SAMs) with low surface energy were deposited on the Ni surface to reduce the adhesion and further improve the demolding quality of the microstructure. Results show that the alkyl mercaptan SAMs with chemical bonds and close alignment can be successfully deposited on the surface of Ni by the solution deposition method. The contact angle, surface free energy, and friction coefficient before and after anti-adhesion treatment on the surface of mold insert were measured. In addition, the anti-adhesion properties of different alkyl mercaptan materials and the correspondingly replication quality of microstructure parts after injection molding were analyzed. It is found that the Ni mold insert treated by the perfluorodecanethiol has the best wear resistance and still shows good reproducibility at the 100th demolding cycle.

show abstract

“…The results showed that the surface coating improved the molding quality of microstructures in replication fidelity, aspect ratio and surface roughness. Kwon et al [ 17 ] studied the effect of thickness of self-assembled FOTS coating on the imprinting quality by a molecular dynamics method. The self-assembled alkanethiols is also an alternative in anti-adhesion application, since the alkanethiol monolayers can be effectively adsorbed on the metal surface.…”

Section: Introductionmentioning

confidence: 99%

Experimental Investigation and Molecular Dynamics Simulation on the Anti-Adhesion Behavior of Alkanethiols on Nickel Insert in Micro Injection Molding

et al. 2021

View full text Add to dashboard Cite

Due to the adhesion between the polymer melt and nickel (Ni) mold insert in the micro injection molding process, deformation defects frequently occur when the microstructures are demolded from the insert. In this study, self-assembled alkanethiols were applied to modify the surface of Ni mold insert to reduce its surface energy. Experimental trials were undertaken to explore the effect of alkanethiols coating on the replication quality. After that, molecular dynamics (MD) simulation was then used to investigate the adhesion behavior between the self-assembled coating and polypropylene (PP) by establishing three different types of alkanethiol material. The interaction energy, the potential energy change and radial distribution function were calculated to study the anti-adhesion mechanism. Experimental results show that all the three coatings can effectively decrease the adhesion and therefore promote the replication fidelity. It is demonstrated in MD simulation that the adhesion mainly comes from the van der Waals (vdW) force at the interface. The arrangement of sulfur atom on the Ni surface results in different absorbing behaviors. Compared with that of the PP–Ni interface, the interfacial energy and adhesion work after surface treatment is significantly reduced.

show abstract

Molecular simulation study on adhesions and deformations for Polymethyl Methacrylate (PMMA) resist in nanoimprint lithography

Cited by 10 publications

References 35 publications

Molecular Dynamics Simulation on the Influences of Nanostructure Shape, Interfacial Adhesion Energy, and Mold Insert Material on the Demolding Process of Micro-Injection Molding

Molecular Dynamics Simulation on the Influences of Nanostructure Shape, Interfacial Adhesion Energy, and Mold Insert Material on the Demolding Process of Micro-Injection Molding

Self-Assembled Monolayers of Alkanethiols on Nickel Insert: Characterization of Friction and Analysis on Demolding Quality in Microinjection Molding

Experimental Investigation and Molecular Dynamics Simulation on the Anti-Adhesion Behavior of Alkanethiols on Nickel Insert in Micro Injection Molding

Contact Info

Product

Resources

About