Biothermal Technology Laboratory, Department of Mechanical Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania, United States of America.
PLoS One. 2023 Mar 9;18(3):e0282613. doi: 10.1371/journal.pone.0282613. eCollection 2023.
This study presents a simplified thermal-fluids (TF) mathematical model to analyze large surface deformations in cryoprotective agents (CPA) during cryopreservation by vitrification. The CPA deforms during vitrification due to material flow caused by the combined effects of thermal gradients within the domain, thermal contraction due to temperature, and exponential increase in the viscosity of the CPA as it is cooled towards glass transition. While it is well understood that vitrification is associated with thermo-mechanical stress, which might lead to structural damage, those large deformations can lead to stress concentration, further intensifying the probability to structural failure. The results of the TF model are experimentally validated by means of cryomacroscopy on a cuvette containing 7.05M dimethyl sulfoxide (DMSO) as a representative CPA. The TF model presented in this study is a simplified version of a previously presented thermo-mechanics (TM) model, where the TM model is set to solve the coupled heat transfer, fluid mechanics and solid mechanics problems, while the TF model omits further deformations in the solid state. It is demonstrated in this study that the TF model alone is sufficient to capture large-body deformations during vitrification. However, the TF model alone cannot be used to estimate mechanical stresses, which become significant only when the deformation rates become so small that the deformed body practically behaves as an amorphous solid. This study demonstrates the high sensitivity of deformation predictions to variation in material properties, chief among which are the variations of density and viscosity with temperature. Finally, this study includes a discussion on the possibility of turning on and off the TF and TM models in respective parts of the domain, in order to solve the multiphysics problem in a computationally cost-effective manner.
本研究提出了一种简化的热流(TF)数学模型,用于分析玻璃化冷冻过程中保护剂(CPA)的大表面变形。由于域内的热梯度、温度引起的热收缩以及冷却过程中 CPA 粘度呈指数增加等综合效应,CPA 在玻璃化过程中会发生变形。虽然众所周知玻璃化与热机械应力有关,可能导致结构损坏,但这些大变形会导致应力集中,进一步增加结构失效的概率。通过在含有 7.05M 二甲基亚砜(DMSO)的比色皿上进行的低温显微镜实验,对 TF 模型的结果进行了实验验证。本研究提出的 TF 模型是之前提出的热力学(TM)模型的简化版本,TM 模型用于解决传热、流体力学和固体力学问题的耦合问题,而 TF 模型则省略了固体状态下的进一步变形。研究表明,仅 TF 模型就足以捕捉玻璃化过程中的大体积变形。然而,仅 TF 模型不能用于估计机械应力,只有当变形速率变得非常小以至于变形体实际上表现为非晶固体时,机械应力才变得显著。本研究表明,变形预测对材料性质的变化非常敏感,其中最重要的是密度和粘度随温度的变化。最后,本研究讨论了在域的各个部分打开和关闭 TF 和 TM 模型的可能性,以便以具有成本效益的方式解决多物理问题。