✍ Scribed by Paulo A. Netz; José Fernando Raymundi; Adriana Simane Camera; Marcia C. Barbosa
No coin nor oath required. For personal study only.
Using molecular dynamics simulations we investigate the ability of an analytical threedimensional double well in reproducing dynamic anomalies found experimentally and by computational models in liquid water. We ÿnd anomalous behavior in the stable region of the phase diagram if the outer minimum is deeper than the inner minimum. In the case of a deeper inner minimum, anomalous behavior is also present but inside the unstable region.
📜 SIMILAR VOLUMES
## Abstract **Summary:** The SDSD of binary mixture with short‐range potential is numerically simulated in 3D by cell dynamic system (CDSs), focusing on the phase morphology and dynamics in the parallel cross‐sections. The formation mechanism and growth law of the wetting layer are analyzed taking
The properties of supercritical fluid carbon dioxide were predicted satisfactorily by molecular dynamics simulations using a model potential from ab initio calculations. The model potential was obtained from the interaction energies of dimers calculated at the MP2/6-311 + G(2df)-level. The pressures