相关论文: Could face-centered cubic titanium in cold-rolled …
The aim of this paper is two-fold. First, via a phenomenological consideration I show that, equally with the conventional phases (body-centred cubic, hexagonal planar and lamellar), such non-conventional phases as simple cubic,…
As the simplest element in nature, unraveling the phase diagram of hydrogen is a primary task for condensed matter physics. As conjectured many decades ago, in the low-temperature and high-pressure part of the phase diagram, solid hydrogen…
According to classical Miedema theory, reducing crystals to the order of nanometer sizes might greatly modulate the mixing enthalpy of elements, thus enabling the invention of a lot of new bulk-immiscible alloys. Although numerous alloys…
Two-dimensional (2D) transition metal dichalcogenides (TMDCs) have been the subject of sustained research interest due to their extraordinary electronic and optical properties. They also exhibit a wide range of structural phases because of…
Pressure as a clean and efficient tool can bring about unexpected extraordinary physical and chemical properties of matters. The recent discoveries of superconductivity at nearly room temperature in hydrides highlight the power of pressure…
After the recent discovery of a neutral Higgs boson with a mass about 125 GeV, we assess the extend of discovery potential of future circular hadron collider (FCC-hh) for a charged Higgs boson in the bottom and top quark decay channel. The…
We report the evidence of the formation of niobium hydride phase within niobium films on silicon substrates in superconducting qubits fabricated at Rigetti Computing. For this study, we combined complementary techniques, including…
Amorphous samples of Al-Cu-Fe were crystallized to the icosahedral phase under the control of electrical conductivity and thermopower at a rather small temperature of T=720 K. A comparison between different annealing states of the amorphous…
The (001) surface of the emerging photovoltaic material cesium lead triiodide (CsPbI3 ) is studied. Using first-principles methods, we investigate the atomic and electronic structure of cubic ({\alpha}) and orthorhombic ({\gamma}) CsPbI3 .…
As a single-phase alloy, CrFeCoNi is a face centered cubic (fcc) material related to the archetypical high-entropy Cantor alloy CrFeCoNiMn. For thin films, CrFeCoNi of approximately equimolar composition tends to assume an fcc structure…
We report the first evidence of the formation of niobium hydrides within niobium films on silicon substrates in superconducting qubits fabricated at Rigetti Computing. We combine complementary techniques including room and cryogenic…
Collisions of heavy nuclei at very high energies offer the exciting possibility of experimentally exploring the phase transformation from hadronic to partonic degrees of freedom which is predicted to occur at several times normal nuclear…
A new phase field crystal (PFC) type theory is presented, which accounts for the full spectrum of solid-liquid-vapor phase transitions within the framework of a single density order parameter. Its equilibrium properties show the most…
Novel extended networks of C8, Si8 and silicon carbide Si4C4 are proposed based on crystal chemistry rationale and optimized structures to ground state energies and derived physical properties within the density functional theory (DFT). The…
Hydrogen embrittlement of metals is widely observed, but its atomistic origins remain little understood and much debated. Combining a unique identification of interstitial sites through polyhedral tessellation and first-principles…
Many studies of especially dust nucleation in winds of carbon-rich AGB stars consider primarily carbon as dust forming material. But dust grains formed in such circumstellar envelopes are rather a mixture of several chemical elements such…
FCC-hh is a proposed future energy-frontier hadron collider, which goal is to provide high luminosity proton collisions at a centre-of-mass energy of 100 TeV. The FCC-hh has an extremely rich physics program ranging from standard model (SM)…
We examine, using molecular dynamics simulation, the structure and thermodynamics of the (100) and (111) disordered face-centered cubic (FCC) crystal/melt interfaces for a binary hard-sphere system. This study is an extension of our…
Zircaloy-4 (Zr-1.5%Sn-0.2%Fe-0.1%Cr wt. %) was electrochemically charged with deuterium to create deuterides and subsequently analysed with atom probe tomography and scanning transmission electron microscopy to understand zirconium hydride…
Extensive density-functional calculations are performed to understand atomic chemisorption on the TiC(111) and TiN(111) surfaces, in particular the calculated pyramid-shaped trends in the adsorption energies for second- and third-period…