Surfaces with microscale
roughness can entail dual-scale hierarchical
structures such as the recently reported nano/microstructured surfaces
produced in the laboratory (
32494077
Nature
2020
582
55
57
). However,
how the dual-scale hierarchical structured surface affects the apparent
wetting/dewetting states of a water droplet, and the transitions between
the states are still largely unexplored. Here, we report a systematic
large-scale molecular dynamics (MD) simulation study on the wetting/dewetting
states of water droplets on various dual-scale nano/near-submicrometer
structured surfaces. To this end, we devise slab-water/slab-substrate
model systems with a variety of dual-scale surface structures and
with different degrees of intrinsic wettability (as measured based
on the counterpart smooth surface). The dual-scale hierarchical structure
can be described as “nanotexture-on-near-submicrometer-hill”.
Depending on three prototypical nanotextures, our MD simulations reveal
five possible wetting/dewetting states for a water droplet: (i) Cassie
state; (ii) infiltrated upper-valley state; (iii) immersed nanotexture-on-hill
state; (iv) infiltrated valley state; and (v) Wenzel state. The transitions
between these wetting/dewetting states are strongly dependent on the
intrinsic wettability (
E
in
), the initial
location of the water droplet, the height of the nanotextures (
H
1
), and the spacing between nanotextures (
W
1
). Notably,
E
in
–
H
1
and
E
in
–
W
1
diagrams show that
regions of rich wetting/dewetting states can be identified, including
regions where between one to five states can coexist.