Molecular dynamics simulations were used to analyze the internal mechanism for the observed improvement in performance of nano-modified meta-aramid insulation paper from a microscopic point of view. The results showed that the k-polyphenylsilsesquioxane(PPSQ) modified meta-aramid insulation paper was superior to b-PPSQ modified meta-aramid insulation paper in terms of its thermal stability and mechanical and electrical properties. The analysis of microscopic parameters showed that the stiffness of k-PPSQ was less than that of b-PPSQ, and the hydroxyl groups on the open-loop system were more likely to enter the dispersed system, resulting in higher bonding strength, meta-aramid fiber chains between k-PPSQ molecules, and the formation of hydrogen bonds. Additionally, the nano-enhancement effects of k-PPSQ and b-PPSQ resulted in various improvements, including a reduction in pores between molecules in the blend model, an increase in the contact area, the formation of interfacial polarization, and a reduction in defects at the interface.
In this work, the adsorption of SF6 decomposition products (SO2, SOF2, and SO2F2) on Ru–MoTe2 monolayer is investigated based on density‐functional theory (DFT) calculations. The doping structure, band structure, adsorption structure, adsorption energy, charge transfer, density of states (DOS), and molecular orbital are analyzed to better analyze the interaction mechanism between gas molecules and Ru–MoTe2 system. In the results, it is shown that the conductivity of MoTe2 monolayer can be greatly increased by doping Ru atom. Pristine MoTe2 shows a weak adsorption capacity for SO2, SOF2, and SO2F2 gases, which belongs to physical adsorption. When Ru atom is doped on MoTe2, the adsorption capacity of the doping system for these three gases is obviously improved. The adsorption capacity of Ru–MoTe2 monolayer to the gases is ranked as SO2F2 > SOF2 > SO2. Moreover, the strong interaction between gas molecules and Ru–MoTe2 surfaces leads to the rise of the conductivity of all adsorption systems to varying degrees, and the degree of the rise of conductivity influenced by gas molecules is ranked as SO2F2 > SO2 > SOF2. Herein, a theoretical basis for the preparation of gas sensors or adsorbers based on Ru–MoTe2 is provided for detecting and absorbing SF6 decomposition products.
Abstract-With the frequent occurrences of the violence incidents, research on body armor is paid much attention to. To study the human physiological responses when wearing body armor and to improve the wearing comfort of body armor, a thermal manikin was used to measure the thermal insulation and vapor resistance of two types of body armor (stab-resistance and bulletproof, respectively) in a climate chamber. Results show the coverage levels on body part and material selections on protection layer affect the thermal insulation and vapor resistance of the body armors. Moreover, air temperature and relative humidity of the climate chamber have an influence on the moisture transfer of the body armors. The findings in this study could establish a data support for body armor, with thermophysical property improvement and design optimization.
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