Related papers: Analytical theory for proton correlations in commo…
An analytical description of polymer melts and their mixtures as liquids of interacting soft colloidal particles is obtained from liquid-state theory. The derived center-of-mass pair correlation functions with no adjustable parameters…
The configurational entropy of ice is calculated by thermodynamic integration from high to low temperatures. We use Monte Carlo simulations with a simple energy model which reproduces the Bernal-Fowler ice rules. This procedure is found to…
An approximation within Wertheim's second order perturbation theory is proposed which allows for the development of a general solution for pure component fluids with an arbitrary number and functionality of association sites. The solution…
Estimating the homogeneous ice nucleation rate from undercooled liquid water is at the same time crucial for understanding many important physical phenomena and technological applications, and challenging for both experiments and theory.…
We present a closed analytical formula for the scattering intensity from charged hard sphere fluids with any arbitrary number of components. Our result is an extension to ionic systems of Vrij's analogous expression for uncharged hard…
Cross sections and analyzing powers for proton elastic scattering from $^{116,118,120,122,124}$Sn at 295 MeV have been measured for a momentum transfer of up to about 3.5 fm$^{-1}$ to deduce systematic changes of the neutron density…
High quality reference data from diffusion Monte Carlo calculations are presented for bulk sI methane hydrate, a complex crystal exhibiting both hydrogen-bond and dispersion dominated interactions. The performance of some commonly used…
We developed a new physical model to predict macroscopic properties of inorganic molten systems using a realistic description of inter-atomic interactions. Unlike the conventional approach, which tends to overestimate viscosity by several…
We present a generalized theory for studying static monomer density-density correlation function (structure factor) in concentrated solutions and melts of dipolar as well as ionic polymers. The theory captures effects of electrostatic…
It is suggested that proton elastic scattering on atomic electrons allows a precise measurement of the proton charge radius. Very small values of transferred momenta (up to four order of magnitude smaller than the ones presently available)…
Background: Elastic scattering is probably the main event in the interactions of nucleons with nuclei. Even if this process has been extensively studied in the last years, a consistent description, i.e. starting from microscopic two- and…
This paper is the fourth in a series devoted to identifying and explaining the properties of strongly correlating liquids, i.e., liquids where virial and potential energy correlate better than 90% in their thermal equilibrium fluctuations…
A brief review of Compton scattering off the deuteron in Chiral Effective Field Theory, including gauge invariance and the correct Thomson limit. We model-independently determine the iso-scalar, spin-independent dipole polarisabilities of…
We present a novel method for the global analysis of elastic electron-proton scattering when combining data sets from experiments with different overall normalization uncertainties. The method is a modification of one employed by the NNPDF…
Water-soluble clusters made from 7 nm inorganic nanoparticles have been investigated by small-angle neutron scattering. The internal structure factor of the clusters was derived and exhibited a universal behavior as evidenced by a…
Thermal neutron total scattering experiments of light and heavy water were reproduced using the CSNS in-house Monte Carlo thermal neutron transport code, Prompt, with a focus on the instrumental detector response and the accurate derivation…
The influences of water molecules surrounding biological molecules during irradiation with heavy particles (atoms,ions) are currently a major subject in radiation science on a molecular level. In order to elucidate the underlying complex…
We study structural and thermophysical properties of a one-dimensional classical fluid made of penetrable spheres interacting via an attractive square-well potential. Penetrability of the spheres is enforced by reducing from infinite to…
We study elastic proton-nucleus scattering at intermediate energies. The nucleon-nucleus optical potential is derived from the Bonn nucleon-nucleon potential and the Dirac-Brueckner approach for nuclear matter. Our calculations, which do…
In density functional-theoretic studies of photoionized water-based systems, the role of charge localization in proton-transfer dynamics is not well understood. This is due to the inherent complexity in extracting the contributions of…