Spallation occurrence from polyamide materials irradiated by thermal plasma with water absorption

Nakano, T.; Tanaka, Yasunori; Nakagawa, Takuya; Shinsei, Naoki; Uesugi, Yoshihiko; Ishijima, Tatsuo

doi:10.1088/0022-3727/49/38/385501

Cited by 2 publications

(1 citation statement)

References 20 publications

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“…From a macroscopic perspective, magnetohydrodynamics simulations have been performed to investigate the effect of gassing materials on the flow of arc plasma [1,4,5], while experimental optical measurements have been used to determine the spatial temperature distribution and composition of ablation-controlled arc plasmas [6][7][8]. From a microscopic perspective, the ejection of spallation particles due to gassing materials ablation has been found to improve the arc quenching capability [9]. However, the composition of these spallation particles and the mechanism by which they improve arc quenching ability have not been explained.…”

Section: Introductionmentioning

confidence: 99%

Atomic-scale insight into arc plasma radiation-induced gassing materials ablation: photothermal decomposition behavior

Cao,

Li,

Zhang

et al. 2024

J. Phys. D: Appl. Phys.

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In this study, we present a novel computational atomistic study of the photothermal decomposition behavior of arc plasma on radiation-induced gassing materials, studying a polyamide 66 (PA66) system using reactive force field (ReaxFF) molecular dynamics (MD). We determine the infrared (IR) vibrational frequency of the PA66 permanent molecular dipole using MD and then computationally impose an electric field at the same frequency to simulate photothermal decomposition by IR, verifying our observations with gas chromatography-mass spectrometry (GCMS) of experimental decomposition. MD indicates that photothermal decomposition reaction is dominated by either cleavage at low temperature or cyclization at high temperature. At low temperature, initial chain scission takes place at the two amide C-N, and the remaining chains break down into a variety of molecular fragments and free radicals. Further increasing the temperature stabilizes a variety of branched chain structures via cyclization, debranching and polymerization, with further cleavage forming hydrocarbons and volatile small molecule gases. Overall, H2, CO, H2O, alkanes and alkenes are the main gaseous products and cyclic structures (especially nitrogen-containing three-membered ring) are the main solid products during the photothermal decomposition of PA66, and their formation results from a variety of complex chemical reactions. The results of MD cover the experimental observations of GCMS, demonstrating that this computational methodology helps us understand the molecular breakdown mechanisms of arc plasma radiation-induced gassing materials. We also discuss the physical mechanism by which the main gas can accelerate arc quenching, and the importance and necessity of using electric fields to simulate IR photothermal decomposition of arc-induced ablation.

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