The influence of the thermal field of a transformer during operation on the thermal stability of
meta-aramid insulation paper was studied through molecular dynamics simulations. Models …

Based on surface science, adsorption of mineral oil, water, gas products (typified by CO 2
and CH 4), and acids (typified by formic acid) on meta-aramid insulation paper has been …

Multiscale models are modeled at different time and spatial scales to achieve the spans
among the micro-, meso-, and macroscales. The multiscale study of solubility is the most …

Dissolution of ionic salts in water is ubiquitous, particularly for NaCl. However, an atomistic
scale understanding of the process remains elusive. Simulations lend themselves …

Molecular simulations such as Monte Carlo, molecular dynamics, and metadynamics have
been used to provide insight into crystallization phenomena, including nucleation and …

The CLP-dyncry molecular dynamics (MD) program suite and force field environment is
introduced and validated with its ad hoc features for the treatment of organic crystalline …

Urea is an important chemical with many biological and industrial applications. In this work,
we develop a first-principles polarizable force field for urea crystals and aqueous solutions …

The crystal growth of urea was analyzed with all-atom molecular dynamics (MD) simulation
for the (001) and (110) faces in contact with aqueous solutions. The local environment of a …

Water soluble potassium sulfate dissolves rapidly and completely in water. Its main
characteristics are purity and dissolution rate. In this study, the purification and rapid …

Canonical molecular dynamics simulations of crystal growth from solution suffer from severe
finite-size effects. As the crystal grows, the solute molecules are drawn from the solution to …