Related papers: Cubic to hexagonal iron phase transition promoted …
The diversity of mesostructures formed in steel at cooling from a high-temperature austenite ("gamma") phase is determined by the interplay of shear reconstructions of crystal lattice and diffusion of carbon. Combining first-principles…
In the fusion environment, understanding the synergistic effects of transmutation-produced hydrogen (H), helium (He), and irradiation-induced displacement damage in iron-based alloys is crucial for the development of structural materials…
The Fe-Mn-based alloys are receiving immense attention due to their applications in the third generation of advanced high-strength steels, owing to their high strength and ductility. A detailed in situ high-pressure structural phase…
We present a phenomenological treatment of diffusion-driven martensitic phase transformations in multi-component crystalline solids that arise from non-convex free energies in mechanical and chemical variables. The treatment describes…
High pressure electrical resistivity and x-ray diffraction experiments have been performed on Fe single crystals. The crystallographic investigation provides direct evidence that in the martensitic $bcc \rightarrow hcp$ transition at 14 GPa…
An instability of a diffusive Fermi liquid, indicative of a metal-insulator transition (expected to be of first order), arising solely from the competition between quenched disorder and short-ranged interparticle interactions is identified…
We investigate paramagnetic metal-insulator transitions in the infinite-dimensional ionic Hubbard model at finite temperatures. By means of the dynamical mean-field theory with an impurity solver of the continuous-time quantum Monte Carlo…
Knowing the phase transformations in dense water ice is key to unraveling the peculiar geophysical properties of Uranus and Neptune, whose stratified interior models predict a thick ice layer beneath a convective ionic fluid layer. In the…
In this work, we study Metal-Insulator transition in a holographic model containing an interaction between the order parameter and charge-carrier density. It turns out that the impurity density of this model can drive the phase transition…
We show that the flux line lattice in a model layered HTSC becomes unstable above a critical magnetic field with respect to a plastic deformation via penetration of pairs of point-like disclination defects. The instability is characterized…
We consider the transition from quark to hadronic matter which may result during the cooling/expansion of the quark-gluon plasma formed in energetic collisions of weakly isospin-asymmetric ions. This transition involves the energy density…
External magnetic fields reduce diffusion of carbon in BCC iron, but the physical mechanism is not understood. Using DFT calculations with magnetic moments sampled from a Heisenberg model, we calculate diffusivities of carbon in iron at…
We report high pressure structural phase transformation sequence in a layered Iron-based superconducting compound FeSe0.3Te0.7 to 31 GPa at room temperature. The ambient pressure PbO type tetragonal phase (Space Group - P4/nmm) transforms…
We propose mechanism for pressure-induced transitions between ferromagnetic and antiferromagnetic phases that relies on a competition between characteristic energy scales ubiquitous among $d$-electron metallic magnetic compounds. Principles…
This study uses the Density Functional Theory to explore the pressure dependent properties of hexagonal BeB2C. The metallic nature of BeB2C was substantiated at ambient pressure, with pressure induced alterations in electronic band…
Transition of molecular hydrogen to atomic ionized state with increase of temperature and pressure poses still unresolved problems for experimental methods and theory. Here we analyze the dynamics of this transition and show its…
Recent experiments have triggered a debate about the ability of protons to transfer through individual layers of graphene and hexagonal boron nitride (h-BN). However, calculations have shown that the barriers to proton penetration can, at…
We present a new technique which allows the fully {\em ab initio} calculation of the chemical potential of a substitutional impurity in a high-temperature crystal, including harmonic and anharmonic lattice vibrations. The technique uses the…
Ferroquadrupole order associated with local $4f$ atomic orbitals of rare earth ions is a realization of electronic nematic order. However, there are relatively few examples of intermetallic materials which exhibit continuous ferroquadrupole…
Dynamic and thermodynamic magnetization experiments on heavy-ion irradiated single crystalline Bi_{2}Sr_{2}CaCu_{2}O_{8+\delta} are correlated in order to clarify the nature of the mixed state phase diagram. It is shown that whereas the…