ABSTRACT In recent years, Density Functional Theory (DFT) simulations have been utilized
to gain insight into the Dry Reforming of Methane (DRM) process. It enables new and …

Sintering, as a thermal process at elevated temperature below the melting point, is widely
used to bond contacting particles into engineering products such as ceramics, metals …

A class of non-detonating materials capable of highly exothermic reactions, referred to as
reactive materials (RMs), has been subjected to extensive recent studies. Examples include …

In this work, molecular dynamics simulations have been performed to explore the structural
evolution and underlying sintering mechanism of aluminum nanoparticles. The structural …

This paper presents modeling of a sintering process at various scales. Sintering is a powder
metallurgy process consisting in consolidation of powder materials at elevated temperature …

Atomistic simulations focusing on sintering of crystalline tungsten powders at the
submicroscopic level are performed to shed light on the processing on the nanoscale …

Heterogeneous oxidation of aluminum is rate limited by diffusion through a growing
aluminum oxide layer. If inward diffusion of oxygen ions is faster than outward diffusion of …

Metal-matrix composites (MMCs) attracts have gained significant attention in recent years
and are extensively utilized in aerospace field due to their exceptional properties. Molecular …

In this paper, the uniaxial cold compaction process of metal nano-powders is numerically
analyzed through the Molecular Dynamics (MD) method. The nano-powders consist of …

Non‐isothermal processes in nanometric metallic multilayers are reviewed, both
experimentally and theoretically. The Ni/Al nanofoil is considered as a model system. On the …