Related papers: Atom-in-jellium predictions of the shear modulus a…
Atom-in-jellium calculations of the electron states, and perturbative calculations of the Einstein frequency, were used to construct equations of state (EOS) from around $10^{-5}$ to $10^7$g/cm$^3$ and $10^{-4}$ to $10^{6}$eV for elements…
Recent path-integral Monte Carlo and quantum molecular dynamics simulations have shown that computationally efficient average-atom models can predict thermodynamic states in warm dense matter to within a few percent. One such…
Shear modulus of solid neutron star crust is calculated by thermodynamic perturbation theory taking into account ion motion. At given density the crust is modelled as a body-centered cubic Coulomb crystal of fully ionized atomic nuclei of…
An analytic model of the shear modulus applicable at temperatures up to melt and at all densities is presented. It is based in part on a relation between the melting temperature and the shear modulus at melt. Experimental data on argon are…
Although usually considered as a technique for predicting electron states in dense plasmas, atom-in-jellium calculations can be used to predict the mean displacement of the ion from its equilibrium position in colder matter, as a function…
The shear modulus of solid $^4$He exhibits an anomalous change of order 10%[1, 2] at low temperatures that is qualitatively similar to the much smaller frequency change in torsional oscillator experiments. We propose that in solid $^4$He…
We developed a detailed microscopic method that describes the shear modulus anomaly of solid helium at low temperature. The shear modulus was calculated using the pinning length of dislocations determined in detail for both crossing network…
Equations of state (EOS) calculated from a computationally efficient atom-in-jellium treatment of the electronic structure have recently been shown to be consistent with more rigorous path integral Monte Carlo (PIMC) and quantum molecular…
Motivated by the formal argument that a non-zero shear modulus is the result of averaging over a constrained configurations space, we demonstrate that the shear modulus calculated over a range of temperatures and averaging times can be…
Predicting volume swelling of structural materials in nuclear reactors under high-dose neutron irradiations based on existing low-dose experiments or irradiation data with high-dose-rate energetic particles has been a long-standing…
We performed high-frequency shear modulus and calorimetry measurements on seven high-entropy metallic glasses (HEMGs) in the initial, relaxed and crystalline states. It is shown that the shear modulus of HEMGs is intrinsically related with…
Atom-in-jellium calculations of the Einstein frequency were used to calculate the mean displacement of an ion over a wide range of compression and temperature. Expressed as a fraction of the Wigner-Seitz radius, the displacement is a…
Simple homogeneous shear flows of frictionless, deformable particles are studied by particle simulations at large shear rates and for differently soft, deformable particles. The particle stiffness sets a time-scale that can be used to scale…
By minimizing a thermodynamic-like potential, we unbiasedly sample the potential energy landscape of soft and frictionless spheres under constant shear stress. We obtain zero-temperature jammed states under desired shear stresses and…
Calculating the vibrational entropy of an N-atom assembly in the harmonic approximation requires the diagonalisation of a large matrix. This operation becomes rapidly time consuming when increasing the dimensions of the simulation cell. In…
We present a detailed comparison of two self-consistent equation-of-state models which differ from their electronic contribution: the atom in a spherical cell and the atom in a jellium of charges. It is shown that both models are well…
Recent experiments showed that the shear modulus of solid 4He stiffens in the same temperature range (below 200 mK) where mass decoupling and supersolidity have been inferred from torsional oscillator measurements. The two phenomena are…
The shear modulus G of two glass-forming colloidal model systems in d=3 and d=2 dimensions is investigated by means of, respectively, molecular dynamics and Monte Carlo simulations. Comparing ensembles where either the shear strain gamma or…
We point out that the instantaneous shear modulus of the shoving model for the non-Arrhenius temperature dependence of viscous liquids' relaxation time is the experimentally accessible high-frequency plateau modulus, not the idealized…
The break-down of the Born-Oppenheimer approximation is an important topic in chemical dynamics on metal surfaces. In this context, the most frequently used "work-horse" is electronic friction theory, commonly relying on friction…