The phase diagrams of beryllium and magnesium oxide at megabar pressures

We perform ab initio simulations of beryllium (Be) and magnesium oxide (MgO) at megabar pressures and compare their structural and thermodynamic properties. We make a detailed comparison of our two recently derived phase diagrams of Be [Wu et al., Phys. Rev. B 104, 014103 (2021)] and MgO [Soubiran and Militzer, Phys. Rev. Lett. 125, 175701 (2020)] using the thermodynamic integration technique, as they exhibit striking similarities regarding their shape. We explore whether the Lindemann criterion can explain the melting temperatures of these materials through the calculation of the Debye temperature at high pressure. From our free energy calculations, we obtained a melting curve for Be that is well represented by the fit Tm(P) = 1564K*[1 + P/(15.8037 GPa)]^0.414 , and a melting line of MgO, which can be well reproduced by the fit Tm(P) = 3010K*(1 + P/a)^(1/c) with a = 10.5797 GPa and c = 2.8683 for the B1 phase and a = 26.1163 GPa and c = 2.2426 for the B2 phase. Both materials exhibit negative Clapeyron slopes on the boundaries between the two solid phases that are strongly affected by anharmonic effects, which also influences the location of the solid-solid-liquid triple point. We find that the quasi-harmonic approximation underestimates the stability range of the low-pressure phases, namely hcp for Be and B1 for MgO. We also compute the phonon dispersion relations at low and high pressure for each of the phases of these materials, and also explore how the phonon density of states is modified by temperature. Finally, we derive secondary shock Hugoniot curves in addition to the principal Hugoniot curve for both materials, and study their offsets in pressure between solid and liquid branches.

Modeling of Impact Energy Release of PTFE/Al Reactive Material

Many scholars have used experimental research methods to conduct extensive research on the impact energy release behavior of Polytetrafluoroethylene(PTFE)/Al reactive materials. However, in numerical simulation, PTFE/Al still lacks the calculation parameters of impact energy release behavior. In order to obtain the simulation parameters of PTFE/Al impact ignition, the Hill mixture law was used to calculate the material parameters of PTFE/Al (mass ratio 73.5/26.5), and according to the Hugoniot curve of PTFE/Al and the γ state equation, the JWL equation of state of a PTFE/Al unreacted substance and reaction product was fitted with a genetic algorithm. According to the PTFE/Al impact energy release experiment, the parameters of the PTFE/Al chemical kinetic equation were determined, and the parameters of the trinomial reaction rate equation were fitted. The obtained parameters were used in the simulation calculation in LS-dyna to predict the damage of the aluminum target plate under the impact of the PTFE/Al reactive fragments.

Electrical conductivity of warm dense silica from double-shock experiments

Understanding materials behaviour under extreme thermodynamic conditions is fundamental in many branches of science, including High-Energy-Density physics, fusion research, material and planetary science. Silica (SiO2) is of primary importance as a key component of rocky planets’ mantles. Dynamic compression is the most promising approach to explore molten silicates under extreme conditions. Although most experimental studies are restricted to the Hugoniot curve, a wider range of conditions must be reached to distill temperature and pressure effects. Here we present direct measurements of equation of state and two-colour reflectivity of double-shocked α-quartz on a large ensemble of thermodynamic conditions, which were until now unexplored. Combining experimental reflectivity data with numerical simulations we determine the electrical conductivity. The latter is almost constant with pressure while highly dependent on temperature, which is consistent with simulations results. Based on our findings, we conclude that dynamo processes are likely in Super-Earths’ mantles.

Shock response and degassing reactions of calcite at planetary impact conditions

Calcite (CaCO3) as a planetary material is a source to the atmospheric carbon dioxide through degassing by high-velocity impact events. Revealing the behavior of calcite in the extreme pressure and temperature conditions is required to understand the impact-induced degassing phenomena. Here we report laboratory investigations of shock- compressed calcite beyond the impact velocity of 12 km/s (faster than escape velocity from the Earth). The present precise shock measurements elucidate the shape of the calcite Hugoniot curve continuously passing through the melting and metallization states up to a pressure of 1000 GPa (= 10-million atmospheres) or a corresponding impact velocity of 30 km/s, allowing us to predict the post-shock residual temperatures and the dominant carbon oxide species in the impact aftermath. These predictions suggest that CO emission is much more dominant than CO2 at the impact velocities of ∼10 km/s and above, affecting the planetary atmospheric chemistry, greenhouse processes, and environmental changes during planetary evolution.

D’Yakov–Kontorovich instability in planar reactive shocks

The standard D’Yakov and Kontorovich (DK) instability occurs when a planar shock wave is perturbed and then oscillates with constant amplitude in the long-time regime. As a direct result, pressure perturbations generated directly behind the shock propagate downstream as non-evanescent sound waves, an effect known as spontaneous acoustic emission (SAE). To reach the DK regime, the slope of the Rankine–Hugoniot curve in the post-shock state must satisfy certain conditions, which have usually been related to non-ideal equations of state. This study reports that the DK instability and SAE can also occur in shocks moving in perfect gases when exothermic effects occur. In particular, a planar detonation, initially perturbed with a wavelength much larger than the detonation thickness, may exhibit constant-amplitude oscillations when the amount of heat released is positively correlated with the shock strength, a phenomenon that resembles the Rayleigh thermoacoustic instability. The opposite strongly damped oscillation regime is reached when the shock strength and the change in the heat released are negatively correlated. This study employs a linear perturbation model to describe the long-time and transient evolution of the detonation front, which is assumed to be infinitely thin, and the sound and entropy–vorticity fields generated downstream.

Experimental Investigation into Spall of Carbon Phenolic Composites

The velocity history of free-surface particle for carbon phenolic composites (density is 1.4g/cm3) is obtained based on the loading technology of the light gas gun, the relationship between the striking velocity of flyer and the spall thickness as well as time is investigated. Besides, spall strength and thickness are obtained by analyzing the samples data and curves. The high pressure physical characteristics, such as type Hugoniot curve and Murnagham state equation for this material, are acquired by analyzing the velocity history of free-surface and spall characteristics. This study provides a methodology to quantify spall and physical characteristics for carbon phenolic composites under tensile wave loading.