Abstract
Organic-modified ceramics (Ormocer) are an outstanding class of hybrid materials due to the fact of their various excellent properties, and they have been successfully used in two-photon polymerization microfabrication fields. A series of functional devices has been fabricated and widely used in aerospace, information science, biomedicine, and other fields. However, quantization of intermolecular energy during the fabrication process is still a difficult problem. A stochastic multi-molecular modeling method is proposed in this paper. The detailed molecular-interaction energies during the photon polymerization of Ormocer were obtained by molecular dynamics analysis. The established molecular model was verified by comparing the simulated shrinkage results with commercial calibrated ones. This work is expected to provide a reference for optimizing the fabrication of organically modified ceramics and reducing photoresist shrinkage in two-photon polymerization.
Highlights
Ormocer is a kind of hybrid material which is synthesized by compounding organic matter and inorganic matter at the atomic or molecular scales [1,2,3]
According to the size comparison of the simulated structures, it was found that the corresponding side length shrinkage rate was 0.3737% which indicates that, in the process of polymerization, the van der Waals force among the molecules became covalent bonds, the bond distance became shorter, a condensation reaction was generated, and the contraction produced by this reaction was a uniform contraction
A stochastic multi-molecule modeling method was proposed to establish a photoresist model which was closer to the actual photoresist structure
Summary
Ormocer is a kind of hybrid material which is synthesized by compounding organic matter and inorganic matter at the atomic or molecular scales [1,2,3]. Many molecular dynamics modeling methods have been proposed to simulate the interaction among molecules at a micro level. TPIPAand reveal modelingmethod methodisisproposed proposedtotoestablish establish monomerswhich whichcan canbring bringthe themodeling modelingprocess processcloser closertoto modeling the energy transform at a molecular level.monomers. ItItcombines the ofofallall three report was Ormocer which kind of free radical photoresist It combines the properties of all report material classes (i.e., organic polymers, inorganic silica, and silicones)with withresulting resultingproperties properties material classes (i.e., organic polymers, inorganic silica, and three material classes (i.e., organic polymers, inorganic silica, andsilicones) with resulting properties dependingononthe theratio ratioand andcomponents componentsused used[25]. Precursor of Ormocer photoresist (white, gray, red, and yellow spheres represent hydrogen, hydrogen, carbon, oxygen, and silicon, respectively). 2. Precursor (white, gray, red, and yellow spheres represent hydrogen, carbon, oxygen, and silicon, respectively).
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