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 …

Abstract Aluminum nanoparticles (Al NPs) with the high energy can be used in rocket
propulsion, but the propellant performance will be limited by the easy agglomeration …

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 …

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

In this paper, the impression of surface oxidization on the aluminum nanopowders is
investigated using the reactive molecular dynamics (MD) method under the triaxial …

The characteristic of easy sintering of aluminum nanoparticle (ANP) limits its application in
solid propellants. Coating ANP with fluoropolymer could effectively improve its combustion …

To alleviate the growing energy crisis, ethanol has been developed and applied gradually
as an ideal biofuel to replace gasoline. The AlH 3 nanoparticle is an excellent fuel additive …

In this study, molecular dynamics (MD) simulation is used to study the combustion behavior
of coated aluminium hydride (CAH) nanoparticles with ethanol in the presence of an …