相关论文: Hydrogen mean force and anharmonicity in polycryst…
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…
Hexagonal ice ($\rm{I_h}$), the most common structure of ice, displays a variety of fascinating properties. Despite major efforts, a theoretical description of all its properties is still lacking. In particular, correctly accounting for its…
The results of experiments on the formation of molecular hydrogen on low density and high density amorphous ice surfaces are analyzed using a rate equation model. The activation energy barriers for the relevant diffusion and desorption…
Nuclear quantum effects lead to an anomalous shift of the volume of hexagonal ice; heavy ice has a larger volume than light ice. This anomaly in ice increases with temperature and persists in liquid water up to the boiling point. We study…
The configurational entropy of several H-disordered ice polymorphs is calculated by means of a thermodynamic integration along a path between a totally H-disordered state and one fulfilling the Bernal-Fowler ice rules. A Monte Carlo…
The Hamiltonian of mean force is a widely used concept to describe the modification of the usual canonical Gibbs state for a quantum system whose coupling strength with the thermal bath is non-negligible. Here we perturbatively derive…
The fundamental properties of ice have always attracted a lot of interest due to omnipresence of ice in many different natural contexts. Since cubic ice recently become experimentally accessible from a low-density gas hydrate precursor [1,…
A simple method to include the strong force in atom-antiatom scattering is presented. It is based on the strong-force scatteringn length between the nucleon and antinucleon. Using this method elastic and annihilation cross sections are…
Mature neutron stars are cold enough to contain a number of superfluid and superconducting components. These systems are distinguished by the presence of additional dynamical degrees of freedom associated with superfluidity. In order to…
The dynamic structure factor of superfluid $^4$He has been investigated at very low temperatures by inelastic neutron scattering. The measurements combine different incoming energies resulting in an unprecedentedly large dynamic range with…
A theoretical model to explain the scattering process of wave attenuation in a marginal ice zone is developed. Many field observations offer wave energy decay in the form of exponential function with distance, and this is justified through…
The structure of the recently identified metastable ice XVII, obtained by release of hydrogen from the C$_0$ D$_2$O-H$_2$ compound (filled ice), has been accurately measured by neutron powder diffraction. The diffraction pattern is indexed…
We present a treatment of cold hydrogen-antihydrogen collisions based on the asymptotic properties of atom-antiatom interactions. We derive general formulas for the elastic and inelastic cross sections and for the scattering lengths and…
Using all-atomic molecular dynamics(MD) simulations, we show that various substrates could induce interfacial water (IW) to form the same ice-like oxygen lattice but different hydrogen polarity order, and regulate the heterogeneous ice…
Ice nucleation is a phenomenon that, despite the relevant implications for life, atmospheric sciences, and technological applications, is far from being completely understood, especially under extreme thermodynamic conditions. In this work…
Thermal equilibrium properties of nanoscale systems deviate from standard macroscopic predictions due to a non-negligible coupling to the environment. For anisotropic three-dimensional materials, we derive the mean force corrections to the…
Superfluid condensates are known to occur in contexts ranging from laboratory liquid helium to neutron stars, and are also likely to occur in cosmological phenomena such as axion fields. In the zero temperature limit, such condensates are…
Interconnect materials with ultralow dielectric constant, and good thermal and mechanical properties are crucial for the further miniaturization of electronic devices. Recently, it has been demonstrated that ultrathin amorphous boron…
In homogeneous and isotropic turbulence, the relative contributions of different physical mechanisms to the energy cascade can be quantified by an exact decomposition of the energy flux (P. Johnson, Phys. Rev. Lett., 124, 104501 (2020), J.…
We explore the roles of the trace anomaly in several hadron properties. We derive the scale invariant expression for the pressure from the gravitational form factors (GFF) of QCD which results in consistent results for the mass and rest…