Related papers: Analytical theory for proton correlations in commo…
It has been known since the pioneering work of Bernal, Fowler and Pauling that common, hexagonal (Ih) water ice is the archetype of a frustrated material : a proton-bonded network in which protons satisfy strong local constraints - the "ice…
The past decade or so has witnessed a large number of articles about water structure. The most incisive experiments involve radiation with a wavelength compatible with the observed inter-molecular separations found in water, of order $\sim…
Thermodynamic properties of liquid water as well as hexagonal (Ih) and cubic (Ic) ice are predicted based on density functional theory at the hybrid-functional level, rigorously taking into account quantum nuclear motion, anharmonic…
Several experimental and theoretical studies report instances of concerted or correlated multiple proton tunneling in solid phases of water. Here, we construct a pseudo-spin model for the quantum motion of protons in a hexameric H$_2$O ring…
Based on the behavior of the elastic scattering data, we introduce an almost model-independent parametrization for the imaginary part of the scattering amplitude, with the energy and momentum transfer dependences inferred on empirical basis…
Single crystals of ice Ih, extracted from the subglacial Lake Vostok accretion ice layer (3621 m depth) were investigated by means of diffuse x-ray scattering and inelastic x-ray scattering. The diffuse scattering was identified as mainly…
We propose a simple cluster-based method with application to calculations of Compton profile anisotropies of ice. The convergence of the method is checked with respect to Crystal95 results. Increasing both basis-set quality and cluster…
This monograph reviews our current understanding of the physical dynamics of ice crystal growth, focusing on the spontaneous formation of complex structures from water vapor (called snow crystals) as a function of temperature,…
The kinetic energy of H and O nuclei has been studied by path integral molecular dynamics simulations of ice Ih and water at ambient pressure. The simulations were performed by using the q-TIP4P/F model, a point charge empirical potential…
Water is often viewed as a collection of monomers interacting electrostatically with each other. We compare the water proton momentum distributions from recent neutron scattering data with those calculated from two electronic structure…
The lack of accurate low-energy electron scattering cross sections for liquid water is a substantial source of uncertainty in the modelling of radiation chemistry and biology. The use of existing amorphous ice scattering cross sections for…
The question of how and which physical observables or thermodynamic parameters can best predict the onset of a possible phase transition in the inner crust of neutron stars remains largely unresolved. Using semiclassical Monte Carlo…
Using a fluid dynamical scenario for $pp$ scattering at 7 TeV, we compute correlation functions for $\pi^+\pi^+$ pairs. Femtoscopic radii are extracted based on three-dimensional parametrizations of the correlation functions. We study the…
In classical and quantum spin ice, rod-like features appear in the neutron scattering structure factor when the pinchpoints characteristic of classical spin ice get washed out. We show that these features do not indicate the absence of spin…
A reanalysis of unpolarized electron-proton elastic scattering data is done in terms of the electric to magnetic form factor squared ratio. This observable is in principle more robust against experimental correlations and global…
The experimental observation of collective behaviour in proton-proton and proton-nucleus collisions poses a fundamental theoretical question regarding the proper characterization of the initial state underlying hydrodynamic evolution. While…
Elastic proton-proton scattering is reviewed starting from the results of the LHC experiments conducted by the TOTEM and ATLAS collaborations, and the HEGS model and a simple phenomenological parametrisation are compared with the new data…
Accurately quantifying the energy loss rate of proton beams in liquid water is crucial for the precise application and improvement of proton therapy, whereas the slowing down of proton in water ices also plays an important role in…
We discuss the problem of proton motion in Hydrogen bond materials with special focus on ice. We show that phenomenological models proposed in the past for the study of ice can be recast in terms of microscopic models in close relationship…
The phase diagram of ice is studied by a quasi-harmonic approximation. The free energy of all experimentally known ice phases has been calculated with the flexible q-TIP4P/F model of water. The only exception is the high pressure ice X, in…