Related papers: Modeling Superionic Behavior of Plutonium Dioxide
Our series of articles is devoted to high-precision molecular dynamics simulation of mixed actinide-oxide (MOX) fuel in the rigid ions approximation using high-performance graphics processors (GPU). In this article we assess the 10 most…
Lattice dynamics and molecular dynamics studies of the oxides UO2 and Li2O in their normal as well as superionic phase are reported. Lattice dynamics calculations have been carried out using a shell model in the quasiharmonic approximation.…
The recently discovered sharp peak in the K+/pi+ ratio is discussed in the framework of the statistical model. In this model a rapid change is expected as the hadronic gas undergoes a transition from a baryon-dominated to a meson-dominated…
Plutonium dioxide is of high technological importance in nuclear fuel cycle and is particularly crucial in long-term storage of Pu-based radioactive waste. Using first-principles density-functional theory, in this paper we systematically…
Hydrogen and lithium, along with their compounds, are crucial materials for nuclear fusion research. High-pressure studies have revealed intricate structural transitions in all these materials. However, research on lithium hydrides beyond…
Polyhydrides have been shown to form novel structures at high pressure, which may be found in the interiors of giant planets. With density functional molecular dynamics simulations we studied the behavior of ammonium polyhydride compounds…
We present here high precision magnetisation measurements in polycrystalline $YBa_2Cu_3O_{x}$ samples, with oxygen content ranging from $x=6.19$ to $x=7.00$. By analysing the temperature derivative of the susceptibility, we found in the…
We study changes in the chaotic properties of a many-body system undergoing a solid-fluid phase transition. To do this, we compute the temperature dependence of the largest Lyapunov exponents $\lambda_{max}$ for both two- and…
We have observed the superfluid phase transition in a strongly interacting Fermi gas via high-precision measurements of the local compressibility, density and pressure down to near-zero entropy. Our data completely determine the universal…
Some uncertainties are discussed on the high-temperature phase boundaries and critical point parameters for gas-liquid phase transition in silica (SiO2). The thermal and caloric phase diagrams are compared and examined as being predicted by…
Our series of articles is devoted to high-precision molecular dynamics simulation of mixed actinide-oxide (MOX) fuel in the approximation of rigid ions and pair interactions (RIPI) using high-performance graphics processors (GPU). In this…
We analyze the transition temperature $T_c$ of bipolaronic superconductivity in a bond Su-Schrieffer-Heeger (bond-SSH) model -- also known as a bond Peierls model -- where the electron hoppings are modulated by bond phonons. Using a…
We report specific-heat and resistivity experiments performed in parallel in a Bridgman-type of pressure cell in order to investigate the nature of pressure-induced superconductivity in the iron pnictide compound CaFe2As2. The presence of a…
Matter under irradiation may enter unusual transient states, outside of its equilibrium phase diagram. One of such states is a superionic-like state, in which one sublattice of a compound liquifies, whereas another one remains solid. Here,…
Beta-PtO2 is a useful transition metal dioxide, but its fundamental thermodynamic and elastic properties remain unexplored. Using first-principles calculations, we systematically studied the structure, phonon, thermodynamic and elastic…
We consider the thermodynamics of a homogeneous superfluid dilute Bose gas in the presence of weak quenched disorder. Following the zero-temperature approach of Huang and Meng, we diagonalize the Hamiltonian of a dilute Bose gas in an…
Water is abundant in natural environments but the form it resides in planetary interiors remains uncertain. We report combined synchrotron X-ray diffraction and optical spectroscopy measurements of H2O in the laser-heated diamond anvil cell…
The paper presents a model for liquid uranium dioxide, obtained by improving a simplified ionic model, previously adopted to describe the equation of state of this substance [1]. A "chemical picture" is used for liquid UO2 of stoichiometric…
To examine the thermodynamic properties of Pr$_{2}$Ba$_{4}$Cu$_{7}$O$_{15-\delta }$ compounds with metallic CuO double chains, we measured the specific heats of superconducting and non-superconducting polycrystalline samples at low…
Uranium dioxide (UO2) is a prototypical nuclear fuel material, yet predicting its thermophysical properties across a wide temperature range remains challenging. One factor contributing to this difficulty is the complex magnetic ordering at…