Related papers: Beyond Local Structures In Critical Supercooled Wa…
We show that the various crossovers between dynamical regimes observed in experiments and simulations of supercooled liquids can be explained in simple terms from the existence and statistical properties of dynamical heterogeneities. We…
Glass-forming liquids exhibit slow dynamics below their melting temperatures, maintaining an amorphous structure reminiscent of normal liquids. Distinguishing microscopic structures in the supercooled and high-temperature regimes remains a…
As the most important solvent, water has been at the center of interest since the advent of computer simulations. While early molecular dynamics and Monte Carlo simulations had to make use of simple model potentials to describe the atomic…
The secondary atomization of liquid droplets is a common physical phenomenon in many industrial and engineering applications. Atomization in high speed compressible flows is less well understood than its more frequently studied low Mach…
A novel liquid-liquid phase transition has been proposed and investigated in a wide variety of pure substances recently, including water, silica and silicon. From computer simulations using the Stillinger-Weber classical empirical…
Identifying local structural motifs and packing patterns of molecular solids is a challenging task for both simulation and experiment. We demonstrate two novel approaches to characterize local environments in different polymorphs of…
The fundamental understanding of water confined in porous coordination polymers (PCPs) is significantly important not only for their applications such as gas storage and separation, but also for exploring the confinement effects in the…
The structure of water confined in MCM41 silica cylindrical pores is studied to determine if confined water really is simply a version of the bulk liquid which can be substantially supercooled without crystallisation. A combination of total…
In these lecture notes we review some recent attempts at searching for non-Fermi liquids and novel quantum phase transitions in holographic systems using gauge/gravity duality. We do this by studying the simplest finite density system…
Whether a quantum critical point (QCP) lies beneath the superconducting dome has been a long-standing issue that remains unresolved in many classes of unconventional superconductors, notably cuprates, heavy fermion compounds and most…
Water is essential for life and technological applications, mainly for its unique thermodynamic and dynamic properties, often anomalous or counterintuitive. These anomalies result from the hydrogen-bonds fluctuations, as evidenced by…
Critical behavior developed near a quantum phase transition, interesting in its own right, offers exciting opportunities to explore the universality of strongly-correlated systems near the ground state. Cold atoms in optical lattices, in…
Complex fluids such as water exhibits many anomalous phenomena, and research suggests these properties are closely tied to critical fluctuations near the liquid-liquid phase transition critical point (LLCP). However, whether a similar LLCP…
The contributed paper by Naserifar and Goddard reports that their RexPoN water model under ambient conditions simulates liquid water as a dynamic polydisperse branched polymer, which they speculate explains the existence of the…
Core-level spectra of liquids can be difficult to interpret due to the presence of a range of local environments. We present computational methods for investigating core-level spectra based on the idea that both local structural parameters…
This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [J. Chem. Phys.…
Using computer simulations, we establish that the structure of a supercooled binary atomic liquid mixture consists of common neighbour structures similar to those found in the equilibrium crystal phase, a Laves structure. Despite the large…
The properties of water can have a strong dependence on the confinement. Here, we consider a water monolayer nanoconfined between hydrophobic parallel walls under conditions that prevent its crystallization. We investigate, by simulations…
We introduce GlassMLP, a machine learning framework using physics-inspired structural input to predict the long-time dynamics in deeply supercooled liquids. We apply this deep neural network to atomistic models in 2D and 3D. Its performance…
We present a detailed analysis of the free energy surface of a well characterized rigid model for water in supercooled states. We propose a functional form for the liquid free energy, supported by recent theoretical predictions [Y.…