相关论文: Modeling Superionic Behavior of Plutonium Dioxide
A system with equal number of positive and negative charges confined in a box with a small but finite thickness is modeled as a function of temperature using mesoscale numerical simulations, for various values of the charges. The Coulomb…
We investigated the behavior of lead titanate (PbTiO3) up to 100 GPa, both at room temperature and upon laser heating, using synchrotron X ray diffraction combined with density functional theory (DFT) computations. At the high pressure…
The ability to predict the nature and amounts of plutonium emissions in industrial accidents, such as in solvent fires at PUREX nuclear reprocessing facilities, is a key concern of nuclear safety agencies. In accident conditions and in the…
Gluodynamics and two-flavor QCD at non-zero temperature are studied with the so-called overimproved cooling technique under which caloron solutions may remain stable. We consider topological configurations either at the first occuring…
The recently discovered sharp peak in the K+/pi+ ratio in relativistic heavy-ion collisions is discussed in the framework of the thermal model. In this model a rapid change is expected as the hadronic gas undergoes a transition from a…
Crystalline materials at elevated temperatures and pressures can exhibit properties more reminiscent of simple liquids than ideal crystalline materials. Superionic crystalline materials having a liquid-like conductivity {\sigma} are…
Using molecular dynamics simulations we study the thermodynamic behavior of a single-component covalent material described by the recently proposed Environment-Dependent Interatomic Potential (EDIP). The parameterization of EDIP for silicon…
The present status of the thermal model is reviewed and the recently discovered sharp peak in the $K^+/\pi^+$ ratio is discussed in this framework. It is shown that the rapid change is related to a transition from a baryon dominated…
Titanium dioxide has been extensively studied in the rutile or anatase phases, while its high-pressure phases are less well understood, despite that many are thought to have interesting optical, mechanical and electrochemical properties.…
We have measured the specific heat and magnetization {\it versus} temperature in a single crystal sample of superconducting La$_{2}$CuO$_{4.11}$ and in a sample of the same material after removing the excess oxygen, in magnetic fields up to…
Pairing between fermions that attract each other, reveal itself to the macroscopic world in the form of superfluidity. Since the discovery of fermionic superfluidity, intense search has been going on to find various unconventional forms of…
We present femtosecond time-resolved pump-probe spectroscopic studies of a pseudogap (PG) along with the superconducting (SC) gap in an overdoped iron pnictide Ca(Fe0.927Co0.073)2As2. It is seen that the temperature evolution of the…
We present a combined experimental and computational first-principles study of the superionic and structural properties of CaF2 at high P-T conditions. We observe an anomalous superionic behavior in the low-P fluorite phase that consists in…
The elastic, thermodynamic, and electronic properties of fluorite RuO_2 under high pressure are investigated by plane-wave pseudopotential density functional theory. The optimized lattice parameters, elastic constants, bulk modulus, and…
We have investigated the superconducting properties in a single crystal of a new superconductor Pb$_{2}$Pd via various techniques including magnetization, AC transport, transverse field muon spin rotation and relaxation (TF-$\mu$SR), and…
A phenomenological thermodynamic potential was constructed based on the symmetry analysis and property characterization of bulk DyCo2. An eight-order polynomial of Landau expansion was employed to describe the thermodynamic behavior of…
We measure the maximal Lyapunov exponent $\lambda_L$ of physical states in a SU(2) gauge theory consisting of soft momentum modes both in and out-of-thermal equilibrium conditions using ab-initio lattice techniques. We have implemented…
Recently developed numerical methods have enabled the explicit construction of the superconducting state of the Hubbard model of strongly correlated electrons in parameter regimes where the model also exhibits a pseudogap and a Mott…
We present a study of the structural phase transition, mechanical and thermodynamic properties of UO$_{2}$ by means of the local density approximation (LDA)$+U$ approach. A phase transition pressure of 40 GPa, which agrees well with the…
We further analyze the recently proposed criterion, according to which a superfluid transition occurs whenever the r.m.s. displacement of a particle from its initial position in imaginary time reaches a certain fraction of the interparticle…