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

Based on the reactive force-field (ReaxFF) molecular dynamics, the thermostability of cross-
linked and non-cross-linked phenolic was compared to study the effect of cross-linked and …

Despite its ubiquitous application in various branches of engineering and materials science,
nucleation with reactions from supercritical water remains elusive. In this work, molecular …

Electrolyte decomposition and subsequent solid electrolyte interphase (SEI) are considered
to be the primary cause of degradation of lithium batteries. We investigate the multiple …

The solid electrolyte interphase (SEI) forms between anode and electrolyte in the lithium-ion
battery (LIB) and is considered to be the main contributor to LIB degradation. To understand …

Monitoring the migration and transformation of free radicals and alkali metals (such as tar-
and organic gas-bonded sodium) in high-alkali coal pyrolysis through experimental methods …

The abuse of tetracycline antibiotics (TCs) has caused serious environmental pollution and
risks to public health. Degradation of TCs by cold atmospheric plasmas (CAPs) is a high …

Microexplosion has been extensively studied in the context of fuel spray and droplet
evaporation in engines, while its existence, impact and atomistic insight have rarely been …

Carbon-metal oxide (CMO) nanocomposites have seen increasing research due to their
extraordinary properties for energy storage materials and photocatalysts. Flame aerosol …

Lithium metal batteries, directly utilizing lithium metal as an anode, are promising as new-
generation energy storage devices, and the characteristics of the solid electrolyte interphase …