Molecular dynamics (MD) has evolved into a ubiquitous, versatile and powerful
computational method for fundamental research in science branches such as biology …

Nanoparticles composed of metallic cores encapsulated in oxide shells emerged in the last
decade as an attractive class of nanocomposite materials due to their high stability and …

Given the constraints on typical bond energies and the commonality of final products
produced from combustion of Csingle bondHsingle bondNsingle bond O based energetic …

Ignition prediction of aluminum particle is of great significance for a variety of propulsion and
power systems to achieve optimal energy release within a limited residence time. In this …

Aluminum particle is a metal fuel applied the most frequently in energetic formulations; thus,
it is fundamental to clarify its oxidation or combustion mechanism to make them work more …

Aluminum nanoparticles (ANPs) are an effective and economical additive in various energy
conversion applications. In the present work, ReaxFF molecular dynamics simulations are …

A theoretical model of aluminum nanoparticle (ANP) and agglomerates has been developed
to highlight the effect of flow-particle interactions and heat conduction within particles. To …

Surface composition plays a crucial role for the energy output performance of nanosized
aluminum (n-Al) based metallic fuels. However, effective surface modification strategy with …

A lack of clarity in the reaction mechanism of the aluminum nanoparticle (ANP) severely
restricts its effective applications. By describing the physicochemical evolution of ANP …

Shell morphology and oxidation depth can significantly affect the combustion effectiveness
of aluminum nanoparticles (ANPs). This study presents an approach to dynamically detect …