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Effect of water concentration on the shock response of polyethylene glycol diacrylate (PEGDA) hydrogels: A molecular dynamics study.
Journal of the Mechanical Behavior of Biomedical Materials ( IF 3.3 ) Pub Date : 2018-09-15 , DOI: 10.1016/j.jmbbm.2018.09.017
Ke Luo 1 , Noah Yudewitz 2 , Ghatu Subhash 2 , Douglas E Spearot 2
Affiliation  

Shockwave propagation in polyethylene glycol diacrylate (PEGDA) hydrogels is simulated for the first time using nonequilibrium molecular dynamics simulations. PEGDA hydrogel models are built using the “perfect network” approach such that each crosslink junction is comprised of six chain connections. The influence of PEGDA concentration (20–70 wt%) on shock behavior is investigated for a range of particle velocities (200–1000 m/s). In agreement with reported experimental results in the literature on gels with similar densities, shock velocity and pressure in PEGDA hydrogels are found to increase with polymer concentration, within a range bounded by pure water and pure polymer behaviors. Nonlinear relationships are observed for shock pressure and shock front thickness as a function of concentration, and a logarithmic equation is proposed to describe this behavior. In addition, the relationship between pressure and shock front thickness is compared with hydrodynamic theory. Deviation from hydrodynamic predictions is observed at high particle velocities and this deviation is found to be related to viscosity changes. A power-law relationship between strain rate and pressure in PEGDA hydrogels is identified, similar to that of metals. However, a power-law exponent of 1.4 is computed for all gel concentrations, whereas an exponent of 4 is typically reported for metals.



中文翻译:

水浓度对聚乙二醇二丙烯酸酯(PEGDA)水凝胶冲击响应的影响:分子动力学研究。

冲击波在聚乙二醇二丙烯酸酯(PEGDA)水凝胶中的传播首次使用非平衡分子动力学模拟进行了模拟。PEGDA水凝胶模型是使用“完美网络”方法构建的,因此每个交联键由六个链连接组成。在一定范围的颗粒速度(200–1000 m / s)下,研究了PEGDA浓度(20–70 wt%)对冲击行为的影响。与文献中关于密度相似的凝胶的实验结果一致,发现在纯水和纯聚合物行为的范围内,PEGDA水凝胶的冲击速度和压力会随着聚合物浓度的增加而增加。观察到冲击压力和冲击前沿厚度随浓度变化的非线性关系,并提出了一个对数方程来描述这种行为。另外,将压力与激波前壁厚度之间的关系与流体力学理论进行了比较。在高颗粒速度下观察到与流体动力学预测的偏差,并且发现该偏差与粘度变化有关。PEGDA水凝胶中的应变率和压力之间存在幂律关系,与金属相似。但是,对于所有凝胶浓度,幂律指数为1.4,而金属的指数通常为4。PEGDA水凝胶中的应变率和压力之间存在幂律关系,与金属相似。但是,对于所有凝胶浓度,幂律指数为1.4,而金属的指数通常为4。PEGDA水凝胶中的应变率和压力之间存在幂律关系,与金属相似。但是,对于所有凝胶浓度,幂律指数为1.4,而金属的指数通常为4。

更新日期:2018-09-15
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