Study of the effect of mechanical properties of materials on cell behaviour based on molecular dynamics simulations
Abstract
This study delves into the mechanical properties of polycrystalline tantalum nanomaterials with varying grain sizes and their influence on fibroblast behavior, utilizing molecular dynamics simulations. The cutting simulations revealed that tantalum nanomaterials with larger grain sizes exhibit superior mechanical performance. Detailed analyses of stress-strain curves, elastic modulus, and elongation at break further demonstrated that larger grain-sized tantalum nanomaterials possess enhanced toughness and compressive strength, positioning them as promising candidates for biomedical applications. Additionally, cellular experiments evaluated the biological effects of these nanomaterials on fibroblasts, showing that larger grain sizes significantly promote fibroblast proliferation. This highlights their potential in tissue engineering and regenerative medicine. By uncovering the intricate relationship between the mechanical properties of tantalum nanomaterials and cellular responses, this study underscores the critical role of material mechanics in biological applications and provides valuable insights for the future design of advanced biomedical materials.
References
1. Yang Z, Zhu J, Lu B, et al. Powder bed fusion pure tantalum and tantalum alloys: From original materials, process, performance to applications. Optics & Laser Technology. 2024; 177: 111057.
2. Meyers M A, Mishra A, Benson D J. Mechanical properties of nanocrystalline materials. Progress in materials science. 2006; 51(4): 427-556.
3. Ifijen IH, Christopher AT, Lekan OK, et al. Advancements in tantalum based nanoparticles for integrated imaging and photothermal therapy in cancer management. RSC advances. 2024; 14(46): 33681-33740.
4. Levin M, Stevenson CG. Regulation of cell behavior and tissue patterning by bioelectrical signals: challenges and opportunities for biomedical engineering. Annual review of biomedical engineering. 2012; 14(1): 295-323.
5. Ligda JP. Effects of grain size on the quasi-static mechanical properties of ultrafine-grained and nanocrystalline tantalum. The University of North Carolina at Charlotte. 2013.
6. Hirel P. Atomsk: A tool for manipulating and converting atomic data files. Computer Physics Communications. 2015; 197: 212-219.
7. Derlet PM, Van Swygenhoven H. Atomic positional disorder in fcc metal nanocrystalline grain boundaries. Physical Review B. 2003; 67(1): 014202.
8. Papanikolaou M, Salonitis K. Grain size effects on nanocutting behaviour modelling based on molecular dynamics simulations. Applied Surface Science. 2021; 540: 148291.
9. Zhao Y, Zhang Y, Liu RP. MD simulation of chip formation in nanometric cutting of metallic glass. Advanced Materials Research. 2012; 476: 434-437.
10. Tersoff J. Modeling solid-state chemistry: Interatomic potentials for multicomponent systems. Physical review B. 1989; 39(8): 5566.
11. Mishin Y, Lozovoi AY. Angular-dependent interatomic potential for tantalum. Acta materialia. 2006; 54(19): 5013-5026.
12. Thompson AP, Aktulga HM, Berger R, et al. LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Computer Physics Communications. 2022; 271: 108171.
13. Stukowski A, Bulatov VV, Arsenlis A. Automated identification and indexing of dislocations in crystal interfaces. Modelling and Simulation in Materials Science and Engineering. 2012; 20(8): 085007.
14. Shimizu F, Ogata S, Li J. Theory of shear banding in metallic glasses and molecular dynamics calculations. Materials transactions. 2007; 48(11): 2923-2927.
15. Liu Y, Cui X, Sun X, et al. Investigations into the effect of cutting speed on nano-cutting of metallic glass by using molecular dynamics simulation analysis. The International Journal of Advanced Manufacturing Technology, 2023, 127(11-12): 5253-5263.
16. Ren J, Yue H, Liang G, et al. Influence of tool shape on surface quality of monocrystalline nickel nanofabrication. Molecules. 2022; 27(3): 603.
17. Jiang J, Sun L, Ma H, et al. Influence mechanisms of tool geometry parameters on surface quality and subsurface damage in polycrystalline NiFeCr superalloys. The International Journal of Advanced Manufacturing Technology, 2023, 127(7): 3637-3653.
18. Ralston KD, Birbilis N. Effect of grain size on corrosion: a review. Corrosion. 2010; 66(7): 075005-075005-13.
19. Hansen N. Hall–Petch relation and boundary strengthening. Scripta materialia. 2004; 51(8): 801-806.
20. Ayrilmis N, Buyuksari U, As N. Bending strength and modulus of elasticity of wood-based panels at cold and moderate temperatures. Cold Regions Science and Technology. 2010; 63(1-2): 40-43.
21. Madelaire CB, Klink AC, Israelsen WJ, et al. Fibroblasts as an experimental model system for the study of comparative physiology. Comparative Biochemistry and Physiology Part B: Biochemistry and Molecular Biology. 2022; 260: 110735.
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