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首页> 外文期刊>Physical chemistry chemical physics: PCCP >A molecular dynamics study of the effects of the inclusion of dopants on ablation in polymethyl methacrylate
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A molecular dynamics study of the effects of the inclusion of dopants on ablation in polymethyl methacrylate

机译:聚甲基丙烯酸甲酯中掺杂对消融作用影响的分子动力学研究

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摘要

Molecular dynamics simulations are used to elucidate mechanisms of ablation in dopant-polymer systems. In one set of simulations, a uniform distribution of thermal absorbers are added to a polymethyl methacrylate substrate and are excited. Chemical decomposition occurs in the regions near the absorbers. Ejection of large pieces of substrate then follows the thermo-chemical breakdown of material. In another set of simulations, an absorbing cluster is embedded in the polymethyl methacrylate substrate at a depth of 50 or 250 A. Only the particles comprising the cluster are excited during the laser pulse. Ejection of material is initiated upon the fracture of the cluster and the cleavage of the surrounding polymer bonds with little chemical damage during the process. These two mechanisms of ejection suggest different pathways of ablation in doped polymer materials.
机译:分子动力学模拟用于阐明掺杂剂-聚合物系统中的烧蚀机理。在一组模拟中,将吸热剂的均匀分布添加到聚甲基丙烯酸甲酯基板上并进行激发。化学分解发生在吸收器附近的区域。然后,随着材料的热化学击穿,大块基材的弹出。在另一组模拟中,吸收簇以50或250 A的深度嵌入聚甲基丙烯酸甲酯基板中。在激光脉冲过程中,仅包含该簇的颗粒被激发。在该过程中,团簇的断裂和周围聚合物键的断裂引发了材料的喷射,几乎没有化学损伤。这两种喷射机理表明掺杂聚合物材料中的烧蚀途径不同。

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