Diffusivity, interfacial free energy, and crystal nucleation in a supercooled Lennard-Jones liquid

AO Tipeev, ED Zanotto, JP Rino - The Journal of Physical …, 2018 - ACS Publications
We carried out extensive molecular dynamics simulations of seeded crystallization in a
Lennard-Jones liquid in a wide range of supercoolings under zero external pressure. The …

Classical molecular dynamics simulations of CsPbBr3 perovskite quantum dots embedded sodium borosilicate glasses

E Cao, Y Yang, B Hassan, D Zhou, J Qiu - Ceramics International, 2024 - Elsevier
We have simulated the configuration of perovskite CsPbBr 3 quantum dot (QD), sodium
borosilicate (SBS) glass matrix, and the combination of these two, namely CsPbBr 3 QDs …

Quasi-liquid layer on ice and its effect on the confined freezing of porous materials

Q Zeng, K Li - Crystals, 2019 - mdpi.com
Freezing of the water confined in thin pores can be destructive to the porous frame, but the
effect of the quasi-liquid layer (QLL) between the confined ice and the pore walls remains …

Evolution of the shape and microstructure of body-centered cubic seeds during Cu melt solidification

T Zhou, YQ Wu, JL You - Chemical Physics Letters, 2023 - Elsevier
For induced solidification, changes in the shape and structure of the seeds are always
ignored. During the solidification of Cu, we found that Fe seeds changed from spherical to …

Effect of nanoclusters formed by metal impurity on magnesium vapor condensation in silicothermic process: a molecular dynamics study

J Zhong, R Li, F Liu, S Zhang - Physica Scripta, 2024 - iopscience.iop.org
In the silicothermic process, some metal oxide impurities that coexist with dolomite are
inevitably reduced to metal vapors, which condense to metal impurities in the magnesium …