相关论文: Cubic to hexagonal iron phase transition promoted …
The semimetal to antiferromagnet quantum phase transition of the Hubbard model on the honeycomb lattice has come to the forefront in the context of the proposal that a semimetal to spin liquid transition can occur before the transition to…
Ferropericlase (fp), (Mg$_{1-x}$Fe$_x$)O, the second most abundant mineral in the Earth's lower mantle, is expected to be an essential component of super-Earths' mantles. Here we present an ab initio investigation of the structure and…
Hydrogen has been the essential element in the development of atomic and molecular physics1). Moving to the properties of dense hydrogen has appeared a good deal more complex than originally thought by Wigner and Hungtinton in their seminal…
Hydrogen embrittlement of metals and alloys, particularly steels, has been an important scientific and engineering challenge in the Oil and Gas industry for many years. It impacts the integrity and performance of a wide range of structures…
A Fermi liquid with weak attractive interaction undergoes a BCS transition to a superconductor with reducing temperature. With increasing interaction strength, the thermal transition is progressively modified as the high temperature…
It has long been assumed the Earth's solid inner core started to grow when molten iron cooled to its melting point. However, the nucleation mechanism, which is a necessary step of crystallization, has not been well understood. Recent…
Boron bulk crystals are marked by exceptional structural complexity and unusual related physical phenomena. Recent reports of hydrogenated $\alpha$-tetragonal and a new $\delta$-orthorhombic boron B$_{52}$ phase have raised many fundamental…
Hydrogen exhibits qualitatively different charge states depending on the host material, as nicely explained by the state-of-the-art impurity-state calculation. Motivated by a recent experiment [Nature 546, 124 (2017)], we show that the…
The martensitic transformation is one of the most important phenomena in metals science due to its essential contribution to the strength of steels and most engineering alloys. Yet the basic, atomistic mechanisms leading to martensite…
Electrical resistivity measurements of detwinned single crystals of the representative iron arsenide Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ reveal a dramatic in-plane anisotropy associated with the tetragonal-to-orthorhombic structural transition…
The phase transition of hadronic to quark matter at high baryon and isospin density is analyzed. Relativistic mean field models are used to describe hadronic matter, and the MIT bag model is adopted for quark matter. The boundaries of the…
In the Large helical device, a change of energetic particle mode is observed as He concentration is varied in ion-ITB type experiments, having constant electron density and input heating power but with a clear increase of central ion…
Interaction between hydrogen (H) and metals is central to many materials problems of scientific and technological importance. Chief among them is the development of H storage and H-resistant materials. H segregation or trapping at lattice…
The influence of hydrogen on dislocation junctions was analysed by incorporating a hydrogen dependent core force into nodal based discrete dislocation dynamics. Hydrogen reduces the core energy of dislocations, which reduces the magnitude…
The phonon dispersions of the bcc and fcc phases of pure iron ({\alpha}-Fe, {\gamma}-Fe and {\delta}-Fe) at ambient pressure were investigated close to the respective phase transition temperatures. In the open bcc structure the transverse…
We study the kinetics of the redistribution of impurity atoms in the elastic fields of dislocations by computer simulation methods. A work consists of several stages. The first is the simulation of a dislocation core structure with a…
We investigate the phase diagram of a two-band frustrated Hubbard model in the framework of dynamical mean field theory. While a first-order phase transition occurs from a paramagnetic (PM) metal to an antiferromagnetic (AF) insulator when…
The mechanical properties of a solid, which relate its deformation to external applied forces, are key factors in enabling or disabling the use of an otherwise optimal material in any application, strongly influencing also its service…
In the Review we discuss anomalous aspects of superconductivity (SC) and normal state, as well as formation of inhomogeneous (droplet-like or cluster-like) states in electron systems with attraction. We consider both the models with the…
We determine numerically the ground state of the two-dimensional, fully polarized electron gas within the Hartree-Fock approximation without imposing any particular symmetries on the solutions. At low electronic densities, the Wigner…