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Article

Computational Study on Interfacial Interactions between Polymethyl Methacrylate-Based Bone Cement and Hydroxyapatite in Nanoscale

1
Department of Mechanical Design Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 04763, Korea
2
Department of Mechanical Engineering, BK21 FOUR ERICA-ACE Center, Hanyang University, 55 Hanyangdaehak-ro, Sangnok-gu Ansan 15588, Korea
3
BBKO Co. Ltd., 64 Keunumul-ro, Mapo-gu, Seoul 04166, Korea
4
Department of Orthopedic Surgery, Nanoori Hospital Suwon, 295 Jungbu-daero, Yeongtong-gu, Suwon 16503, Korea
*
Author to whom correspondence should be addressed.
Appl. Sci. 2021, 11(7), 2937; https://doi.org/10.3390/app11072937
Received: 4 March 2021 / Revised: 18 March 2021 / Accepted: 23 March 2021 / Published: 25 March 2021
Polymethyl methacrylate (PMMA)-based bone cement (BC) is a key material in joint replacement surgery that transfers external forces from the implant to the bone while allowing their robust binding. To quantitatively evaluate the effect of polymerization on the thermomechanical properties of the BC and on the interaction characteristics with the bone ceramic hydroxyapatite (HAp), molecular dynamics simulations were performed. The mechanical stiffness of the BC material under external loading increased gradually with the crosslinking reaction occurrence, indicating increasing load transfer between the constituent molecules. In addition, as the individual Methyl Methacrylate (MMA) segments were interconnected in the system, the freedom of the molecular network was largely suppressed, resulting in more thermally stable structures. Furthermore, the pull-out tests using HAp/BC bilayer models under different constraints (BC at 40% and 85%) revealed the cohesive characteristics of the BC with the bone scaffold in molecular detail. The stiffness and the fracture energy increased by 32% and 98%, respectively, with the crosslink density increasing. View Full-Text
Keywords: bone cement; PMMA; hydroxyapatite; molecular dynamics simulation bone cement; PMMA; hydroxyapatite; molecular dynamics simulation
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MDPI and ACS Style

Kim, H.; Goh, B.; Lee, S.; Lee, K.; Choi, J. Computational Study on Interfacial Interactions between Polymethyl Methacrylate-Based Bone Cement and Hydroxyapatite in Nanoscale. Appl. Sci. 2021, 11, 2937. https://doi.org/10.3390/app11072937

AMA Style

Kim H, Goh B, Lee S, Lee K, Choi J. Computational Study on Interfacial Interactions between Polymethyl Methacrylate-Based Bone Cement and Hydroxyapatite in Nanoscale. Applied Sciences. 2021; 11(7):2937. https://doi.org/10.3390/app11072937

Chicago/Turabian Style

Kim, Hongdeok, Byeonghwa Goh, Sol Lee, Kyujo Lee, and Joonmyung Choi. 2021. "Computational Study on Interfacial Interactions between Polymethyl Methacrylate-Based Bone Cement and Hydroxyapatite in Nanoscale" Applied Sciences 11, no. 7: 2937. https://doi.org/10.3390/app11072937

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