Hengjiao Gao¹, Yuqing Xiong^1,*, Kaifeng Zhang¹, Shengzhu Cao¹, Mingtai Hu¹, Yi Li¹, Ping Zhang², Xiaoli Liu³

Journal of Renewable Materials, Vol.11, No.4, pp. 1715-1729, 2023, DOI:10.32604/jrm.2022.024023

Abstract The interface properties of Fe(101)/zinc silicate modified by organo-siloxane (KH-570) was studied by using the method of molecular dynamics simulation. By calculating the temperature and energy fluctuation of equilibrium state, equilibrium concentration distribution, MSD of layer and different groups, and interaction energy of two interface models, the influencing mechanism on the interface properties of adding organosiloxane into coating system was studied at the atomic scale. It shows that the temperature and energy of interface oscillated in a small range and it was exited in a state of dynamic equilibrium within the initial simulation stage (t < 20 ps). It can… More > Graphic Abstract

Weijie Li¹, Haiming Huang^1,2, Bangcheng Ai³, Ye Tian¹

CMC-Computers, Materials & Continua, Vol.43, No.3, pp. 175-196, 2014, DOI:10.3970/cmc.2014.043.175

Abstract Physical and mathematical models are the key to analyze thermal behavior of charring materials in the thermal protection system of reentry vehicles subjected to aerodynamic heating. To explore the thermal behavior of charring ablator, we developed and compared two models (pyrolysis interface model and pyrolysis layer model) with pyrolysis and surface recession. Taking AVCOAT composites as an example, its nonlinear thermal behavior, which are caused by temperature dependent thermal properties, moving interfaces and moving boundary, were simulated using the calculation codes written respectively on the basis of the pyrolysis layer model and the pyrolysis interface model. Numerical results indicate that… More >