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首页> 外文期刊>Journal of Applied Polymer Science >Performance of polyurea formulations against impact loads: A molecular dynamics and mechanical simulation approach
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Performance of polyurea formulations against impact loads: A molecular dynamics and mechanical simulation approach

机译：聚脲配方对冲击载荷的性能：分子动力学和机械仿真方法

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摘要

Today, polyurea is known as one of the most famous and widely used protective coatings in the world. The unique properties of polyurea are at such a high level that it is possible to use this coating in a wide range of applications. Although polyurea is generally made from the reaction between two types of precursors (diisocyanate and diamine), it is challenging to choose the right precursor pair for producing a coating with a specific application due to the great variety of introduced diisocyanate and diamine precursors. On the other hand, the experimental synthesis of the formulations and the study of their performance is also very costly and time-consuming. In this study and by examining a series of commercially available precursors for polyurea coatings synthesis, well-known materials have been introduced and classified. Then, a representative of each formulation family is simulated by a molecular dynamics and mechanical approach using a three-step method on atomic, meso, and continuum scales, and the mechanical properties of the formulations are extracted. Then, by examining the response of each formulation to the three types of dynamic load (earthquake, projectile impact, and air blast), the protective capabilities of these formulations have been compared, and the optimal formulation for each application has been introduced.
机译：聚脲是当今世界上最著名、应用最广泛的防护涂料之一。聚脲的独特性能处于如此高的水平，因此可以在广泛的应用中使用这种涂层。尽管聚脲通常由两种前体（二异氰酸酯和二胺）之间的反应制成，但由于引入的二异氰酸酯和二胺前体种类繁多，因此选择合适的前体对来生产具有特定应用的涂层是一个挑战。另一方面，配方的实验合成及其性能研究也非常昂贵和耗时。在这项研究中，通过研究一系列可用于聚脲涂料合成的商用前体，介绍了知名材料并对其进行了分类。然后，通过分子动力学和力学方法，使用原子、介观和连续介质尺度上的三步方法，模拟每个配方族的代表，并提取配方的力学性质。然后，通过检查每种配方对三种动态载荷（地震、弹丸冲击和空气冲击）的响应，比较了这些配方的防护能力，并介绍了每种应用的最佳配方。

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