Related papers: The Taming of Plutonium: Pu Metallurgy and the Man…
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…
Electronic correlations associated with incipient magnetism have long been recognized as an important factor in stabilizing the largest atomic volume $\delta$ phase of plutonium, yet their strength compared to those in the rare earths and…
High pressure structures, phase diagram and superconductivity of polonium hydrides have been systematically investigated through the first-principles calculations based on the density functional theory. With the increasing pressure, several…
Lattice thermal conductivities (LTC) for a subset of polymer crystals from the Polymer Genome Library were investigated to explore high LTC polymer systems. We employed a first-principles approach to evaluating phonon lifetimes within the…
Discovery of superconductivity at megabar (MB) pressures in hydrogen sulfide H3S, then in metal polyhydrides, starting with binary, LaH10, etc., and ending with ternary ones, including (La, Y)H10, revolutionized the field of condensed…
A constant supply of oxygen has been assumed to be necessary for the growth of titanium nanoparticles by sputtering. This oxygen supply can arise from a high background pressure in the vacuum system or from a purposely supplied gas. The…
Advanced phase-field techniques have been applied to address various aspects of polycrystalline solidification including different modes of crystal nucleation. The height of the nucleation barrier has been determined by solving the…
Homogeneous nucleation from aluminum (Al) melt was investigated by million-atom molecular dynamics (MD) simulations utilizing the second nearest neighbor modified embedded atom method (MEAM) potentials. The natural spontaneous homogenous…
Manganese, in the a-Mn structure, has been studied using synchrotron powder x-ray diffraction in a diamond anvil cell up to 220 GPa at room temperature combined with density functional calculations (DFT). The experiment reveals an extended…
Plutonium dihydride and trihydride show strikingly similar crystal structures when viewed as close-packed Pu planes with ABC and AB stacking, respectively. The similarity serves as a framework for density functional theory (DFT)…
In this paper, we report the results of an ambient and high pressure study of a 5f-electron ferromagnet URhGa. The work is focused on measurements of magnetic and thermodynamic properties of a single crystal sample and on the construction…
A central issue in material science is to obtain understanding of the electronic correlations that control complex materials. Such electronic correlations frequently arise due to the competition of localized and itinerant electronic degrees…
The discovery of superconductivity at 200 K in the hydrogen sulfide system at large pressures [1] was a clear demonstration that hydrogen-rich materials can be high-temperature superconductors. The recent synthesis of LaH$_{10}$ with a…
Quantifying the evolution and complexity of materials is of importance in many areas of science and engineering, where a central open challenge is developing experimental complexity measurements to distinguish random structures from evolved…
The Bredig transition to the superionic phase indicated with the lambda-peak in Cp was highly expected for PuO2 as other actinide dioxides. However, least-square fit and local smoothing techniques applied to the experimental enthalpy data…
Near-field and far-field high-energy diffraction microscopy and microcomputed tomography X-ray techniques were used to study a bulk single crystal nickel-titanium shape memory alloy sample subjected to thermal cycling under a constant…
Silica is an abundant component of the Earth whose crystalline polymorphs play key roles in its structure and dynamics. As the simplest silicates, understanding pure silica is a prerequisite to understanding the rocky part of the Earth, its…
A periodic plasmonic meta-material was studied using finite-difference time domain (FDTD) method to investigate the influence of neighboring particles on the near unity optical absorptivity. The meta-material was constructed as a silver…
We have performed high-pressure, electrical resistivity, and specific heat measurements on CeTe3 single crystals. Two magnetic phases with nonparallel magnetic easy axes were detected in electrical resistivity and specific heat at low…
Quantum materials can harbour hidden phases whose microscopic structures differ from conventional ordered states while reproducing their macroscopic signatures, making them easy to miss. Strontium titanate is a longstanding puzzle of this…