No Arabic abstract
For a long time, there have been huge discrepancies between different models and experiments concerning the liquid-liquid phase transition (LLPT) in dense hydrogen. In this work, we present the results of extensive calculations of the LLPT in dense hydrogen using the most expensive first-principle path-integral molecular dynamics simulations available. The nonlocal density functional rVV10 and hybrid functional PBE0 are used to improve the description of the electronic structure of hydrogen. Of all the density functional theory calculations available, we report the most consistent results through quantum Monte Carlo simulations and coupled electron-ion Monte Carlo simulations of the LLPT in dense hydrogen. The critical point of the first-order LLPT is estimated above 2000 K according to the equation of state. Moreover, the metallization pressure obtained from the jump of dc electrical conductivity almost coincides with the plateau of equation of state.
We present first-principle predictions for the liquid-gas phase transition in symmetric nuclear matter employing both two- and three-nucleon chiral interactions. Our discussion focuses on the sources of systematic errors in microscopic quantum many body predictions. On the one hand, we test uncertainties of our results arising from changes in the construction of chiral Hamiltonians. We use five different chiral forces with consistently derived three-nucleon interactions. On the other hand, we compare the ladder resummation in the self-consistent Greens functions approach to finite temperature Brueckner--Hartree--Fock calculations. We find that systematics due to Hamiltonians dominate over many-body uncertainties. Based on this wide pool of calculations, we estimate that the critical temperature is $T_c=16 pm 2$ MeV, in reasonable agreement with experimental results. We also find that there is a strong correlation between the critical temperature and the saturation energy in microscopic many-body simulations.
We present a review on the study of metastable silicon, primarily focusing mainly on the aspects of liquid-liquid transition, critical point and phase behaviour, structural and dynamic properties of liquid phase as well as crystal nucleation. We begin with an extensive survey of the investigations of liquid silicon pursued over three decades, with salient experimental, theoretical and simulation results. Following which we present various scenarios put forward to rationalize the density and related anomalies often observed in water and other network forming liquids. After which we present the more recent investigations (both simulation and experimental works) of the phase behavior of Silicon. Since a significant part of metastable silicon work is on a classical empirical potential an important question to address is the reliability of this potential in describing the behavior of silicon. To provide a critical assessment of the applicability of classical simulation results to real silicon we present a comparison of the structural, dynamical, and thermodynamic quantities obtained from the SW potential with those from ab initio simulations and with available experimental data. We also discuss the sensitivity of the thermodynamic properties to model parameters.
Understanding the structure and chemical composition at the liquid-nanoparticle (NP) interface is crucial for a wide range of physical, chemical and biological processes. In this study, direct imaging of the liquid-NP interface by atom probe tomography (APT) is reported for the first time, which reveals the distributions and the interactions of key atoms and molecules in this critical domain. The APT specimen is prepared by controlled graphene encapsulation of the solution containing nanoparticles on a metal tip, with an end radius in the range of 50 nm to allow field ionization and evaporation. Using Au nanoparticles (AuNPs) in suspension as an example, analysis of the mass spectrum and three-dimensional (3D) chemical maps from APT provides a detailed image of the water-gold interface with near-atomic resolution. At the water-gold interface, the formation of an electrical double layer (EDL) rich in water (H2O) molecules has been observed, which results from the charge from the binding between the trisodium-citrate layer and the AuNP. In the bulk water region, the density of reconstructed H2O has been shown to be consistent, reflecting a highly packed density of H2O molecules after graphene encapsulation. This study is the first demonstration of direct imaging of liquid-NP interface using APT with results providing an atom-by-atom 3D dissection of the liquid-NP interface.
Although hydrogen is the simplest of atoms, it does not form the simplest of solids or liquids. Quantum effects in these phases are considerable (a consequence of the light proton mass) and they have a demonstrable and often puzzling influence on many physical properties, including spatial order. To date, the structure of dense hydrogen remains experimentally elusive. Recent studies of the melting curve of hydrogen indicate that at high (but experimentally accessible) pressures, compressed hydrogen will adopt a liquid state, even at low temperatures. In reaching this phase, hydrogen is also projected to pass through an insulator-to-metal transition. This raises the possibility of new state of matter: a near ground-state liquid metal, and its ordered states in the quantum domain. Ordered quantum fluids are traditionally categorized as superconductors or superfluids; these respective systems feature dissipationless electrical currents or mass flow. Here we report an analysis based on topological arguments of the projected phase of liquid metallic hydrogen, finding that it may represent a new type of ordered quantum fluid. Specifically, we show that liquid metallic hydrogen cannot be categorized exclusively as a superconductor or superfluid. We predict that, in the presence of a magnetic field, liquid metallic hydrogen will exhibit several phase transitions to ordered states, ranging from superconductors to superfluids.
Luttinger semimetals have quadratic band crossings at the Brillouin zone-center in three spatial dimensions. Coulomb interactions in a model that describes these systems stabilize a non-trivial fixed point associated with a non-Fermi liquid state, also known as the Luttinger-Abrikosov-Beneslavskii phase. We calculate the optical conductivity $sigma (omega) $ and the dc conductivity $sigma_{dc} (T) $ of this phase, by means of the Kubo formula and the Mori-Zwanzig memory matrix method, respectively. Interestingly, we find that $sigma (omega) $, as a function of the frequency $omega$ of an applied ac electric field, is characterized by a small violation of the hyperscaling property in the clean limit, which is in marked contrast to the low-energy effective theories that possess Dirac quasiparticles in the excitation spectrum and obey hyperscaling. Furthermore, the effects of weak short-ranged disorder on the temperature-dependence of $sigma_{dc} (T)$ give rise to a much stronger power-law suppression at low temperatures compared to the clean limit. Our findings demonstrate that these disordered systems are actually power-law insulators. Our theoretical results agree qualitatively with the data from recent experiments performed on Luttinger semimetal compounds like the pyrochlore iridates [ (Y$_{1-x}$Pr$_x$)$_2$Ir$_2$O$_7$ ].