The atomic arrangements in the crystalline silicon (c-Si) and amorphous silicon (a-Si) are
distinctly different, which affects the surface restructuring during oxidation and the resulting …

Revealing the oxide-formation process at the atomic scale is challenging but extremely
important for explaining the oxidation mechanism of an alloy. In this study, the microscopic …

The oxide growth mechanism on Al (100),(110) and (111) and the corresponding oxide film
properties were examined using all-atom molecular dynamics simulations. The growth …

Aluminum nanoparticles (ANP) are important components of modern energetic systems
because of their excellent combustion performance. However, the underlying mechanism of …

The formation of chromium-rich oxide layers on the surface of Fe-Cr alloys significantly
impacts their performance at elevated temperatures. Understanding the formation process of …

The effects of temperature and twin grain boundary position on the crack propagation
mechanism of pure\upalpha α-Ti were studied by molecular dynamics simulation. Under …

The carbonization of iron is a very important early phenomenon in the field of
heterogeneous catalysis and the petrochemical industry, but the mechanism is still …

This study presents a comprehensive analysis of methane oxidation at high temperatures
(2500 K–3500 K)—a critical process in atmospheric chemistry and energy production …

The addition of Cr is known to work as an effective prevention against oxidation in Fe-based
alloys. This can be attributed to the peripheral oxide, the structure of which is dependent on …

Flue gas produced by biomass fuel combustion contains various chlorine-containing
substances and is an important factor causing biomass boiler corrosion. The corrosion …