Department of Materials Science & Engineering, University of Florida, USA.
Department of Mechanical & Aerospace Engineering, University of Florida, USA.
J Mech Behav Biomed Mater. 2021 Jun;118:104423. doi: 10.1016/j.jmbbm.2021.104423. Epub 2021 Feb 26.
An analytical model is developed to predict shockwave propagation and attenuation in hydrogels by combining the classical method of shock characteristics and a solution for the shock front structure. To guide the development of the model, molecular dynamics (MD) simulations are performed. Specifically, a one-dimensional shock pulse in poly(ethylene glycol) diacrylate (PEGDA) hydrogels is simulated with the nonequilibrium MD method. The role of polymer concentration on the shock response is evaluated by constructing hydrogels with 20, 35, and 50 wt% PEGDA concentrations in an idealized crosslinked network. Steady-state pressure-density and shock-particle velocity relationships are established using the Murnaghan equation of state. Shock front structure is characterized by a power-law equation that relates the shock front thickness with shock pressure. These results are used as critical input for the shock propagation and attenuation model. The model is then evaluated via comparison with the classical method of characteristics. It shows significant improvement in accuracy and successfully captures salient features of shockwave attenuation, including the shock pressure amplitude, the velocities of the shock and release waves, and the attenuation timeline. Hydrogels with higher polymer concentrations exhibit a shorter attenuation time at all particle velocities studied. This behavior is attributed to differences in bulk properties and shock front structure in hydrogels with different polymer/water concentrations.
我们开发了一种分析模型,通过结合冲击波特征的经典方法和冲击波前缘结构的解,来预测水凝胶中的冲击波传播和衰减。为了指导模型的发展,我们进行了分子动力学(MD)模拟。具体来说,我们使用非平衡 MD 方法模拟了聚(乙二醇)二丙烯酸酯(PEGDA)水凝胶中的一维冲击波。通过在理想交联网络中构建 20、35 和 50wt%PEGDA 浓度的水凝胶,评估了聚合物浓度对冲击响应的影响。使用 Murnaghan 状态方程建立了稳态压力-密度和冲击-颗粒速度关系。通过幂律方程来描述冲击波前缘结构,该方程将冲击波前缘厚度与冲击波压力相关联。这些结果被用作冲击波传播和衰减模型的关键输入。然后,我们通过与经典特征方法进行比较来评估该模型。结果表明,该模型在准确性上有显著提高,并成功捕捉到了冲击波衰减的显著特征,包括冲击波压力幅度、冲击波和释放波的速度以及衰减时间线。在所有研究的颗粒速度下,聚合物浓度较高的水凝胶的衰减时间更短。这种行为归因于不同聚合物/水浓度的水凝胶在体性质和冲击波前缘结构上的差异。