Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: The first-principles phase diagram of monolayer nanoconfined water   Water in nanoscale cavities is ubiquitous and of central importance to
everyday phenomena in geology and biology, and at the heart of current and
future technologies in nano-science, most notably nanofluidics. A
molecular-level picture of the structure and dynamics of nano-confined water is
a prerequisite to understanding and controlling the behavior of water under
confinement, with water-graphene interfaces being the most scientifically
fascinating and technologically relevant systems. Here we explore a monolayer
of water confined within a graphene-like channel using state-of-the-art
computer simulation methods that enable a treatment of nano-confined water at
unprecedented accuracy. We find that monolayer water exhibits surprisingly rich
and diverse phase behavior that is highly sensitive to temperature and the van
der Waals pressure acting within the nano-channel. Monolayer water exhibits
numerous molecular ice phases with melting temperatures that vary by over 400
degrees in a non-monotonic manner with pressure, in sharp contrast to bulk. In
addition, we predict two unexpected phases: a "hexatic-like" phase, which is an
intermediate between a solid and a liquid, and a "superionic" phase with a high
electrical conductivity exceeding that of battery materials. Although aspects
of the phase diagram have been reported before, our first-principles framework
-- that combines developments in high-level electronic structure theory,
machine learning,and statistical sampling -- enables an efficient and accurate
calculation of a "broad map" for the identification and exploitation of the
unique properties of water on the nanoscale. Notably, it suggests that
nano-confinement could be a promising route towards superionic behaviour at
easily accessible conditions.

7
The categories of this paper are: hep-th
16
The categories of this paper are: stat
22
The categories of this paper are: chao-dyn
12
The categories of this paper are: nucl-th
24
The categories of this paper are: dg-ga
6
The categories of this paper are: astro-ph
35
The categories of this paper are: mtrl-th
33
The categories of this paper are: plasm-ph
36
The categories of this paper are: cmp-lg
19
The categories of this paper are: eess
27
The categories of this paper are: comp-gas
18
The categories of this paper are: econ
11
The categories of this paper are: hep-lat
14
The categories of this paper are: math-ph
1
The categories of this paper are: cs
29
The categories of this paper are: funct-an