Environmental pollution is a significant cause of disease throughout the globe, but the
dangers are disproportionately greater in developing nations due to poverty, a lack of …

Environmental monitoring and sensing are two of the first issues to address in order to keep
our environment safe. Nanoparticle materials have tremendous potential to combat …

The atomic structure, glass formation process and diffusion mechanism of Pd 100-x Si x (x=
10, 20, 30, 40 and 50) alloys during rapid solidification have been investigated by molecular …

The surface properties of coatings during deposition are strongly influenced by temperature,
particle fluxes, and compositions. In addition, the precursor incident energy also affects the …

In this study, molecular dynamics simulations have been carried out to investigate the effect
of cooling rate on the atomic structure of the Pd 78 Si 16 Cu 6 alloy and the isothermal …

In this study, molecular dynamics (MD) simulations were employed to compare the effects of
different solidification conditions on the solidification behaviour, stress distribution, and …

The concentration dependence of the atomic structure and glass formation process of Zr 100-
x Pt x (10≤ x≤ 60) alloys were investigated by molecular dynamics simulations in this …

Owing to their several attractive features such as high hardness, high elastic modulus, light
weight, high strength to weight ratio, high thermal conductivity, and high temperature …

Abstract 2-(2-(3-hydroxy-4-methoxyphenyl) ethylidene) hydrazinecarbothioamide (HMHT)
and 2-(2-(4-ethoxy-3-methoxyphenyl) ethylidene) hydrazinecarbothioamide (EMHT) …

Using the density functional theory (DFT) at meta-generalized gradient approximation (meta-
GGA) exchange-correlation TPSSTPSS functional with LANL2DZ pseudopotential, the …