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The AlCrTiV high entropy alloy undergoes an order-disorder transition from body centered cubic (Strukturbericht A2) at high temperatures to the CsCl structure (B2) at intermediate temperatures. We model this transition using first…
Extensive first-principle calculations on embedded clusters containing few O, Y, Ti, and Cr atoms as well as vacancies are performed to obtain interaction parameters to be applied in Metropolis Monte Carlo simulations, within the framework…
High energy heavy-ion collisions in laboratory produce a form of matter that can test Quantum Chromodynamics (QCD), the theory of strong interactions, at high temperatures. One of the exciting possibilities is the existence of…
This study examines the phase transitions occurring during linear heating of the Zr15Nb alloy through a comprehensive, multi-technique methodology comprising in-situ high-energy synchrotron X-ray diffraction (HEXRD), electrical resistance…
The authors developed a new analysis technique for atomic disorder structures in full-Heusler alloys using x-ray diffraction (XRD) with Co-Ka and Cu-Ka sources. The developed technique can quantitatively evaluate all the atomic disorders…
A computational framework integrating thermodynamics, kinetics, and mechanical stress calculations is developed to study supercritical CO2 induced corrosion in model Fe-based MA956 and Ni-based H214 alloys. Empirical models parametrized…
Low temperature magnetic and thermal (C_m) properties of the ferromagnetic (FM) alloys Ce_2.15 (Pd_1-x Rh_x)_1.95 In_0.9 were investigated in order to explore the possibility for tuning a quantum critical point (QCP) by doping Pd with Rh.…
We have made chromium-doped, silica-based preforms and optical fibres by Modified Chemical Vapour Deposition and have studied the influence of the chemical composition of the doped region on the Cr-oxidation states and the spectroscopic…
In this article, we investigated the effect of Cr substitution in place of Fe on the structural, magnetic and transport properties of $\mathrm{Co_2FeSi}$ alloy. A comprehensive structural analysis is done using X-ray diffraction (XRD) and…
We have used electron paramagnetic resonance to study the thermal annealing of colour centres induced in cubic yttria-stabilized zirconia by swift electron and heavy ion-irradiations. Single crystals were irradiated with 1 or 2-MeV…
While developing nuclear materials, predicting their behavior under long-term irradiation regimes spanning decades poses a significant challenge. We developed a novel Kinetic Monte Carlo (KMC) model to explore the precipitation behavior of…
Powder X-ray diffraction (PXRD) and single-crystal neutron scattering were used to study in detail the structural properties of the Cs2CuCl(4-x)Br(x) series, good realizations of layered triangular antiferromagnets. Detailed…
We report the isotropic plasma atomic layer etching (ALE) of aluminum nitride using sequential exposures of SF$_6$ plasma and trimethylaluminum (Al(CH$_3$)$_3$, TMA). ALE was observed at temperatures greater than 200 $^\circ$C, with a…
Tungsten carbide (WC) stands out as a crucial material for exploration in extreme environments due to its resistance to radiation and impressive mechanical strength. Widely utilized in cutting tools, high-wear components, and as a potential…
Recent experiments have shown the viability of the metamaterial approach to dielectric response engineering for moderately enhancing the transition temperature, Tc, of a superconductor. In this report, we demonstrate the use of Al2O3-coated…
The stability of Cr, V, Al carbide MAX phases, materials of interest for a variety of magnetic as well as high temperature applications, has been studied using density-functional-theory first-principles calculations. The enthalpy of mixing…
Two-dimensional chromium oxide fluoride CrOF sheet was studied based on density functional theory. The investigation indicates that the CrOF sheet is an intrinsic ferromagnetic semiconductor. The calculated low cleavage energy implies that…
We present a new design for a directed high-flux high-temperature atomic vapor source for use in atomic physics experiments conducted under vacuum. An externally heated nozzle made of an array of stainless steel microcapillaries produces a…
Thermodynamic descriptions of all binaries within the Cr-Fe-Mo-Nb-Ni system have been complied and, where necessary, remodeled. Notably, the Cr-Fe and Fe-Mo systems have been remodeled using comprehensive sublattice models for the…
Concentration of Cr in the Fe-rich alpha-phase, x, resulted from a phase decomposition caused by an isothermal annealing at T = 415 and 450 C of a non-irradiated (NR) Fe-Cr14 EFDA sample and that of a He-ions irradiated (IR) one annealed at…