Chemical Mechanisms and Simulation Frameworks for Innovative Aerospace Thermal Protection Systems

Chemical processes and multiscale modeling approaches have become vital to the advancement of thermal protection systems (TPS) designed for supersonic and hypersonic vehicles. As flight velocities increase, extreme aerodynamic heating, reactive flow environments, and aggressive oxidizing conditions pose significant challenges to the integrity and longevity of TPS materials. Despite notable progress, there is still limited understanding of the chemistry-driven mechanisms at play across ablative, regenerative, catalytic, and hybrid protection strategies, particularly when it comes to integrating experimental findings with predictive computational frameworks. Complex phenomena such as high-temperature pyrolysis, oxidation, catalytic activity, and corrosion demand new insights at the molecular and meso-scale, while innovative simulation techniques are needed to effectively model and optimize TPS performance under these demanding conditions.

This Research Topic aims to illuminate the fundamental chemical pathways and advanced multiscale modeling strategies that underpin next-generation thermal protection in aerospace applications. By focusing on the intersection of chemical reactivity, material responses, and simulation, the initiative seeks to bridge current gaps in understanding how ablative and regenerative processes, catalytic coatings, and material degradations occur and can be controlled in realistic supersonic and hypersonic environments. A central objective is to foster integration between chemical experimentation and computational modeling, leveraging AI-driven methods, atomistic simulations, and coupled kinetic–fluid dynamics tools to deliver actionable, predictive insights for TPS innovation and reliability.

This Research Topic will focus on chemical mechanisms and multiscale modeling as they relate specifically to active thermal protection strategies in supersonic and hypersonic flight, spanning both theoretical and experimental approaches. Contributions should emphasize the critical role of chemistry in material degradation, fuel cracking, catalytic enhancement, and protective layer evolution under extreme conditions. To gather further insights in this cross-disciplinary field, we welcome articles addressing, but not limited to, the following themes:

• Ablative chemistry and high-temperature thermal degradation processes

• Regenerative cooling: hydrocarbon cracking, catalytic reforming, and supercritical effects

• Catalytic and hybrid cooling strategies for TPS performance enhancement

• Chemical oxidation and corrosion phenomena in TPS materials and advanced coatings

• Combustion-driven chemical attack and radical-mediated material erosion

• Multiscale simulation: atomistic, microkinetic, and CFD-coupled approaches

• Experimental diagnostics of chemistry-driven protection mechanisms

• AI-assisted discovery, model reduction, and predictive simulation in reactive TPS applications