Stochastic Multi-Molecular Modeling Method of Organic-Modified Ceramics in Two-Photon Induced Photopolymerization
Abstract
:1. Introduction
2. Materials and Theory
2.1. Synthesis of Photoresist and Reaction Principle of Cross-Linking Polymerization
2.2. Theory of Mechanics
3. Molecular Dynamics Simulation and Discussion
3.1. Establishment of Ormocer Photoresist Model
3.2. Dynamic Simulation before Cross-Linking
3.3. Cross-Linking Simulation of Photoresist
3.4. Contractility Analysis before and after Polymerization
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Conflicts of Interest
References
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System | Precursor | Contents |
---|---|---|
Ormocer-I | | 100% |
Ormocer-II | | 50%; 50% |
Ormocer-III | | 50%; 25%; 25% |
Trajectory | Data before Polymerization | Data after Polymerization | ||||
---|---|---|---|---|---|---|
ρbp | Lbp | Vbp | ρap | Lap | Vap | |
1 | 1.2090 | 29.9946 | 26,985.49 | 1.2364 | 29.7955 | 26,451.49 |
2 | 1.2022 | 30.0515 | 27,139.27 | 1.2365 | 29.7952 | 26,450.74 |
3 | 1.2028 | 30.0458 | 27,123.75 | 1.2257 | 29.8822 | 26,683.29 |
4 | 1.2163 | 29.9344 | 26,823.33 | 1.2346 | 29.8102 | 26,490.76 |
5 | 1.2164 | 29.9339 | 26,821.88 | 1.2331 | 29.8221 | 26,522.63 |
6 | 1.2159 | 29.9382 | 26,833.42 | 1.2323 | 29.8292 | 26,541.50 |
7 | 1.2165 | 29.9327 | 26,818.74 | 1.2315 | 29.8350 | 26,556.88 |
8 | 1.2156 | 29.9399 | 26,838.02 | 1.2482 | 29.7020 | 26,203.34 |
9 | 1.2197 | 29.9064 | 26,747.93 | 1.2288 | 29.8569 | 26,615.47 |
10 | 1.2132 | 29.9601 | 26,892.42 | 1.2278 | 29.8652 | 26,637.75 |
11 | 1.2173 | 29.9265 | 26,801.94 | 1.2431 | 29.7402 | 26,309.50 |
12 | 1.2079 | 30.0038 | 27,010.17 | 1.2358 | 29.8009 | 26,466.04 |
13 | 1.2017 | 30.0555 | 27,150.21 | 1.2332 | 29.8216 | 26,521.23 |
14 | 1.2069 | 30.0117 | 27,031.63 | 1.2217 | 29.9145 | 26,769.87 |
15 | 1.2137 | 29.9557 | 26,880.69 | 1.2391 | 29.7741 | 26,394.71 |
16 | 1.2079 | 30.0038 | 27,010.26 | 1.2254 | 29.8849 | 26,690.51 |
17 | 1.2134 | 29.9587 | 26,888.52 | 1.2344 | 29.8123 | 26,496.32 |
18 | 1.2194 | 29.9094 | 26,756.11 | 1.2248 | 29.8897 | 26,703.23 |
19 | 1.2189 | 29.9130 | 26,765.80 | 1.2233 | 29.9015 | 26,734.89 |
20 | 1.2127 | 29.9638 | 26,902.40 | 1.2257 | 29.8826 | 26,684.24 |
21 | 1.2234 | 29.8763 | 26,667.37 | 1.2234 | 29.9008 | 26,733.05 |
22 | 1.2253 | 29.8608 | 26,626.03 | 1.2179 | 29.9456 | 26,853.44 |
23 | 1.2083 | 30.0003 | 27,000.73 | 1.2337 | 29.8177 | 26,510.65 |
24 | 1.2226 | 29.8831 | 26,685.55 | 1.2295 | 29.8514 | 26,600.63 |
25 | 1.2155 | 29.9412 | 26,841.64 | 1.2312 | 29.8374 | 26,563.39 |
26 | 1.2310 | 29.8152 | 26,504.15 | 1.2257 | 29.8822 | 26,683.05 |
27 | 1.2221 | 29.8870 | 26,696.09 | 1.2317 | 29.8334 | 26,552.70 |
28 | 1.2193 | 29.9099 | 26,757.51 | 1.2399 | 29.7677 | 26,377.64 |
29 | 1.2048 | 30.0294 | 27,079.43 | 1.2307 | 29.8414 | 26,574.07 |
30 | 1.2178 | 29.9219 | 26,789.78 | 1.2344 | 29.8122 | 26,496.14 |
Average | 1.2146 | 29.9488 | 26,862.34 | 1.2313 | 29.8369 | 26,562.31 |
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Lin, J.; Liu, P.; Jing, X.; Lu, M.; Wang, K.; Sun, J. Stochastic Multi-Molecular Modeling Method of Organic-Modified Ceramics in Two-Photon Induced Photopolymerization. Materials 2019, 12, 3876. https://doi.org/10.3390/ma12233876
Lin J, Liu P, Jing X, Lu M, Wang K, Sun J. Stochastic Multi-Molecular Modeling Method of Organic-Modified Ceramics in Two-Photon Induced Photopolymerization. Materials. 2019; 12(23):3876. https://doi.org/10.3390/ma12233876
Chicago/Turabian StyleLin, Jieqiong, Peng Liu, Xian Jing, Mingming Lu, Kaixuan Wang, and Jie Sun. 2019. "Stochastic Multi-Molecular Modeling Method of Organic-Modified Ceramics in Two-Photon Induced Photopolymerization" Materials 12, no. 23: 3876. https://doi.org/10.3390/ma12233876