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Lei Y, Liu Y, Zhang W, Chu F, Guo T. Molecular dynamic simulations of β type medical titanium alloys with induced micro-structural damage under noncontinuous proton radiation: A nanoparticle model study. Int J Radiat Res 2025; 23 (3) :743-750 URL: http://ijrr.com/article-1-6667-en.html
Radiology Department, Beijing Chaoyang Hospital of Capital Medical University, Beijing, China , zhangweiguo0906@sina.com
Abstract: (251 Views)
Background: Medical Titanium (Ti) alloys have been widely used in the fields of wound repair and orthopedic treatment because of their high strength, good resistance to physiological corrosion and excellent biomechanics properties. However, similar withto other metal materials, Medical Ti alloys may also be damaged with potentially suffer from damages of various extentvarying degrees under proton radiation condition and environment. Materials and Methods: As theSince traditional investigation methods are limited on time and space size to some extent, Molecular Dynamic (MD) simulations are generally applied to uncover the entire proton radiation process, and the simulatedsimulation models are concentrated on β type medical Ti alloys. Results: Firstly, when the proton struck withe a constant velocity of 2000 Å/ps impact with Primary Knock-on Atom (PKA) at a constant velocity of 2,000 Å/ps, the kinetic energy of 24,451.7 eV will would be transferred, and PKA willwould leave its original site and further transfer the kinetic energy, until reaching the equilibrium site, but accompanied by . This process also leave a plenty ofsignificant micro-structure damages. Secondly, by adjusting the velocity of proton to be in the range of 1,500 Å/ps ~ 2,500 Å/ps, damage zone could be expanded by increasing the kinetic energy of proton. through adjusting the velocity of proton between 1500 and 2500 Å/ps, it seems that the addition of proton kinetic energy could enlarge the damage zone. However, the increase of increased Ti alloy matrix temperature did not have a great impact on the velocity of proton. could not show the same effect with proton velocity. Thirdly, the multi-proton effect on horizontal mode is more obviouspronounced than that on vertical mode. Conclusions: It is kinetic energy, but not rather than potential energy, that contributes to the formation of micro-structure in Ti alloys. The influence of temperature can be ignored in practical applications, In the practice environment, effects of temperature can be ignored, but the velocity and density of incident proton ought to be considered.
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