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Accurate thermal analysis of composites and porous media requires detailed characterization of local thermal properties in small scale. For some important applications such as lithium-ion batteries, changes in the properties during the…
Periodic and cluster density-functional theory (DFT) calculations, including DFT+U and hybrid functionals, are applied to study magnetostructural correlations in spin-1/2 frustrated chain compounds CuX2: CuCl2, CuBr2, and a fictitious chain…
T-(Al20Cu2Mn3) phase dispersoids are important for limiting recovery and controlling grain growth in Al-Cu alloys. However, these dispersoids can also reduce precipitation hardening by acting as heterogeneous nucleation sites and may lead…
Increasingly, nanoscale phase coexistence and hidden broken symmetry states are being found in the vicinity of metal-insulator transitions (MIT), for example, in high temperature superconductors, heavy fermion and colossal magnetoresistive…
The properties of soft electronic materials depend on the coupling of electronic and conformational degrees of freedom over a wide range of spatiotemporal scales. Description of such properties requires multiscale approaches capable of, at…
Electrocatalytic CO2 reduction technology is key to mitigating greenhouse gas emissions and the energy crisis. However, controlling the selectivity of CO2RR products at low overpotential remains a challenge. In this paper, we predicted five…
Conical nanopores in amorphous SiO$_{2}$ thin films fabricated using the ion track etching technique show promising potential for filtration, sensing and nanofluidic applications. The characterization of the pore morphology and size…
The electronic structure of high-quality van der Waals multiferroic CuCrP$_2$S6 crystals was investigated applying photoelectron spectroscopy methods in combination with DFT analysis. Using X-ray photoelectron and near-edge X-ray absorption…
State-of-the-art and next-generation rare-event search experiments rely on detector materials with stringent requirements on radiopurity and mechanical performance. Additive-free electroformed copper offers exceptional radiopurity, but is…
The term "MAX phase" refers to a very interesting and important class of layered ternary transition-metal carbides and nitrides with a novel combination of both metal and ceramic-like properties that have made these materials highly…
Initial powder mixtures of Cu, Fe and Co are exposed to severe plastic deformation by high-pressure torsion to prepare solid solutions. A broad range of compositions is investigated, whereas this study aims at the synthesis of soft magnetic…
Dense and mesoporous 4% mol Yttria-stabilized zirconia thin films were deposited on amorphous silica substrates. The effects of the temperature on the mesostructure were analyzed, by applying different thermal treatments to the samples…
This paper investigates a case study on measuring and controlling the first-order degree of spatial coherence under different coupling adjustments in the storage ring. The experimental findings are consistent with the predicted inverse…
A complex study of aging kinetics for both coarse-grained and nanostructured by severe plastic deformation Cu -- 2 wt% Be alloy is reported. It is shown that aging of a coarse-grained alloy leads to continuous formation of nanosized CuBe…
Micro- and mesostructures of multiphase materials obtained from tomography and image acquisition are an ever more important database for simulation analyses. Huge data sets for reconstructed 3d volumes typically as voxel grids call for…
Big pores, small pores, ordered pores, random pores, they all have a function and as is often found, show behaviour in new materials that is not always predicted or obvious at the outset. I started my research journey trying to put…
The functionality of materials is determined by their composition and microstructure, that is, the distribution and orientation of crystalline grains, grain boundaries and the defects within them. The characterisation of the material's…
The mechanical properties of Cu-Ti alloys have been characterized extensively through experimental studies. However, a detailed understanding of why the strength of Cu increases after a small fraction of Ti atoms is added to the alloy is…
In this paper, numerical simulations of four-mode continuous-variable cluster states with different topologies in the framework of measurement-based quantum computation are presented. By utilizing the symplectic representation and…
Recently, new Cr-based superconductors, A$_2$Cr$_3$As$_3$ (A = K, Rb, Cs), have gained a strong interest because of their one-dimensional crystal structures and electron correlations. Here we report the crystal structure and physical…