Related papers: Structural analysis of water networks

Co$_3$O$_4$ is an important catalyst for the oxidation of organic molecules in the liquid phase. Still, understanding the atomistic details of Co$_3$O$_4$-water interfaces under operando conditions remains extremely challenging. While ab…

We examine the behavior of the diffusion coefficient of the ST2 model of water over a broad region of the phase diagram via molecular dynamics simulations. The ST2 model has an accessible liquid-liquid transition between low-density and…

The present paper reports on our effort to characterize vortical interactions in complex fluid flows through the use of network analysis. In particular, we examine the vortex interactions in two-dimensional decaying isotropic turbulence and…

In this paper a Complex Network approach is taken to understand the salient features of Indian Water Dam Networks. Detailed analysis of 15 river basin networks have been carried out. The data has been taken from "River Basin Atlas of India"…

Water shows intriguing thermodynamic and dynamic anomalies in the supercooled liquid state. One possible explanation of the origin of these anomalies lies in the existence of a metastable liquid-liquid phase transition (LLPT) between two…

Here I show that experimental and simulation data on liquid water using vibrational (infrared and Raman) and X-ray (absorption and emission) spectroscopies, as well as recent data from X-ray scattering, are fully consistent with a two-state…

This paper provides the analysis for structural and functional approaches of complex network systems research. In order to study the behavior of these systems the flow adjacency matrices were introduced, and local and global dynamic…

Using Brownian dynamics simulations we study gel-forming colloid-polymer mixtures. The focus of this article lies on the differences of dense and dilute gel networks in terms of structure formation both on a local and a global level. We…

We use the instantaneous normal mode approach to provide a description of the local curvature of the potential energy surface of a model for water. We focus on the region of the phase diagram in which the dynamics may be described by the…

A fundamental characteristic of computer networks is their topological structure. The question of the description of the structural characteristics of computer networks represents a problem that is not completely solved. Search methods for…

Much of the past work in network analysis has focused on analyzing discrete graphs, where binary edges represent the "presence" or "absence" of a relationship. Since traditional network measures (e.g., betweenness centrality) utilize a…

The relationship of network structure and dynamics is one of most extensively investigated problems in the theory of complex systems of the last years. Understanding this relationship is of relevance to a range of disciplines -- from…

The hydrogen-bond (H-bond) network of high-pressure water is investigated by neural-network-based molecular dynamics (MD) simulations with the first-principles accuracy. The static structure factors (SSFs) of water at three densities, i.e.,…

Recent probing of H2O-D2O mixtures by various means (neutron deep-inelastic scattering, Raman absorption, electrical H+/D+ conductivity) revealed an unexpected dependence of the relevant physical quantities on the isotopic composition of…

This article discusses recent attempts to provide a deeper understanding of the thermoreversible "gel" state of colloidal matter and to unravel the analogies between gels at the colloidal level and gels at the molecular level, commonly…

Liquid-liquid and liquid-vapor coexistence regions of various water models were determined by MC simulations of isotherms of density fluctuation restricted systems and by Gibbs ensemble MC simulations. All studied water models show multiple…

In the last decade it became apparent that a large number of the most interesting structures and phenomena of the world can be described by networks: separable elements, with connections (or interactions) between certain pairs of them.…

We analyze and compare the structural, dynamical, and electronic properties of liquid water next to prototypical metals including Pt, graphite, and graphene. Our results are built on Born-Oppenheimer molecular dynamics (BOMD) generated…

Networks are widely used in the biological, physical, and social sciences as a concise mathematical representation of the topology of systems of interacting components. Understanding the structure of these networks is one of the outstanding…

Numerical and experimental turbulence simulations are nowadays reaching the size of the so-called big data, thus requiring refined investigative tools for appropriate statistical analyses and data mining. We present a new approach based on…