相关论文: Clarifying the Ti-V Phase Diagram Using First-Prin…

We present molecular dynamics simulations of the thermodynamic melting transition of a bcc metal, vanadium using the Finnis-Sinclair potential. We studied the structural, transport and energetic properties of slabs made of 27 atomic layers…

The miscibility of Au and Li exhibits a potential application as an adhesion layer and electrode material in secondary batteries. Here, to explore alloying properties, we constructed a neural network potential (NNP) of Au-Li binary systems…

Reconfigurable and sustainable microcavity lasers are highly desirable for next-generation integrated photonics. Here, we report a recyclable, low-threshold quasi-bound state in the continuum (q-BIC) laser fabricated via low-cost,…

Lattice simulations employing reweighting and Taylor expansion techniques have predicted a (\mu,T)-phase diagram according to general expectations, with an analytic quark-hadron crossover at \mu=0 turning into a first order transition at…

This paper presents an experimental and theoretical study of the distribution of carbon atoms in the octahedral interstitial sites of the face-centered cubic (fcc) phase of the iron-carbon system. The experimental part of the work consists…

The observation of electronic phase separation textures in vanadium dioxide (VO2), a prototypical electron-correlated oxide, has recently added new perspectives on the long standing debate about its metal-insulator transition and its…

Epitaxial bilayer silicon oxide is a transferable two-dimensional material predicted to be a wide band gap semiconductor, with potential applications for deep UV optoelectronics, or as a building block of van der Waals heterostructures. The…

The transition between gapped (semiconducting) and gapless (metallic) phases and tunability of bandgap in materials is a very lucrative yet considerably challenging goal for new-age device preparation. For bulk materials and for…

X-ray powder diffraction, electrical resistivity, magnetization, and thermodynamic measurements were conducted to investigate the structure and superconducting properties of TiHfNbTaMo, a novel high-entropy alloy possessing a valence…

Noting the structural relationships between phases of carbon and boron carbide with phases of boron nitride and boron subnitride, we investigate their mutual solubilities using a combination of first principles total energies supplemented…

Recently it has been found that quantum chromodynamics (QCD) phase diagram possesses a duality between chiral symmetry breaking and pion condensation. For the first time this was revealed in the QCD motivated toy model. Then it was…

We construct a pair potential which in a scaling limit leads to a Hamiltonian that generates co-existing mean-field and superconducting phases. Depending on the relative values of the coupling constants, the superconducting phase may exist…

We have investigated the trends in the formation of carbon vacancies in binary transition metal (TM) carbides using density functional calculations for two common TM carbide crystal structures, namely the B1 (rock-salt) and WC structure…

Refractory high-entropy alloys are under consideration for applications where materials are subjected to high temperatures and levels of radiation, such as in the fusion power sector. However, at present, their scope is limited because they…

In our tunneling investigation using Andreev superconductor - normal metal - superconductor contacts on LiFeAs single crystals we observed two reproducible independent subharmonic gap structures at dynamic conductance characteristics. From…

Much research in recent years has focused on using empirical machine learning approaches to extract useful insights on the structure-property relationships of superconductor material. Notably, these approaches are bringing extreme benefits…

We present a detailed study of the phase diagram of the Kitaev-Hubbard chain, that is the Kitaev chain in the presence of a nearest-neighbour density-density interaction, using both analytical techniques as well as DMRG. In the case of a…

An approach for the crystallographic mapping of two-phase alloys on the nanoscale using a combination of scanned precession electron diffraction and open-source python libraries is introduced in this paper. This method is demonstrated using…

We present a computationally inexpensive yet accurate phenomenological model of memristive behavior in titanium dioxide devices by fitting experimental data. By design, the model predicts most accurately I-V relation at small non-disturbing…

The unique properties exhibited in immiscible metals, such as excellent strength, hardness, and radiation-damage tolerance, have stimulated the interest of many researchers. As a typical immiscible metal system, the Cu-W nano-multilayers…