相关论文: The Taming of Plutonium: Pu Metallurgy and the Man…

Establishing the phase diagram of hydrogen is a major challenge for experimental and theoretical physics. Experiment alone cannot establish the atomic structure of solid hydrogen at high pressure, because hydrogen scatters X-rays only…

The equation of state of liquid metallic hydrogen is solved numerically. Investigations are carried out at temperatures, which correspond both to the experimental conditions under which metallic hydrogen is produced on earth and the…

The lattice parameters, lattice stability and phonon dispersion curves of five proposed phases of Ti: alpha, beta, gamma, delta and omega are investigated within DFT. It is found that the sequence of high pressure phases at zero temperature…

The high critical superconducting temperatures ($T_c$s) of metal hydride phases with clathrate-like hydrogen networks have generated great interest. Herein, we employ the Density Functional Theory-Chemical Pressure (DFT-CP) method to…

The structural, magnetic, and thermodynamic properties of a new plutonium based compound, Pu2Pt3Si5, are reported. Single crystals produced by a Sn-flux technique have been analyzed showing a ferromagnetic behavior at 58 K. Pu2Pt3Si5…

We present a detailed quantum mechanical non empirical DFT investigation of the energy-optimized geometries, phase stabilities and electronic properties of bulk Pt3N, PtN and PtN2 in a set of twenty different crystal structures. Structural…

We demonstrate an approach for calculating temperature-dependent quantum and anharmonic effects with beyond density-functional theory accuracy. By combining machine-learned potentials and the stochastic self-consistent harmonic…

We have performed a combined experimental and theoretical study of ethane and methane at high pressures up to 120 GPa at 300 K using x-ray diffraction and Raman spectroscopy and the USPEX ab-initio evolutionary structural search algorithm,…

Spontaneous fission in americium and plutonium isotopes was investigated using high-resolution gamma spectrometry. This process was investigated through analysis of a certified PuO2 sample spectrum obtained from the IAEA database of…

A nuclear emulsion with micronized crystals is required for the tracking detection of submicron ionizing particles, which are a target of dark matter detection and other methods. We found that a new production method, named as the…

Diamond nucleation under very low pressure (0.1-1.0 torr) was obtained at very high nucleation densities and very rapid rates using hot-filament chemical vapor deposition (HFCVD). The density on mirror-polished silicon was as high as 10^10…

We develop a new implementation of the Gutzwiller approximation (GA) and interface it with the local density approximation (LDA). This formulation enables us to study complex $4f$ and $5f$ systems. We perform calculations of praseodymium…

The mechanical properties of platinum monatomic chains were investigated by simultaneous measurement of an effective stiffness and the conductance using our newly developed mechanically controllable break junction (MCBJ) technique with a…

Helium bubbles nucleation and growth in metals or metal tritide is a long-standing problem attracting considerable attention in nuclear industry but the mechanism remains indistinct and predicting the growth rate of helium bubble is…

An interatomic potential (termed EAM-21) has been developed with the embedded atomic method (EAM) for CrFeMnNi quaternary HEAs. This potential is based on a previously developed potential for CrFeNi ternary alloys. The parameters to develop…

We prove that recognizing the phase of matter of an unknown quantum state is quantum computationally hard. More specifically, we show that the quantum computational time of any phase recognition algorithm must grow exponentially in the…

Molybdenum purple bronze Li$_{0.9}$Mo$_{6}$O$_{17}$ is an exceptional material known to exhibit one dimensional (1D) properties for energies down to a few meV. This fact seems to be well established both in experiments and in band structure…

Density functional theory (DFT) calculations of 58 liquid elements at their triple point show that most metals exhibit near proportionality between thermal fluctuations between virial and potential-energy in the isochoric ensemble. This…

Particles scattered off the nuclear target acquire a polarization if the nuclei have a non zero analyzing power. This effect is enhanced when particles traverse a bent crystal. Such enhancement under certain assumptions allows one to…

The transition between the two phases of 4D Euclidean Dynamical Triangulation [1] was long believed to be of second order until in 1996 first order behavior was found for sufficiently large systems [5,9]. However, one may wonder if this…