Related papers: Threshold displacement energies in refractory high…
We present $ab$ $initio$ study of the electronic stopping power of protons and helium ions in an insulating material, HfO$_{2}$. The calculations are carried out in channeling conditions with different impact parameters by employing…
We study wave propagation through a one-dimensional array of subwavelength resonators with periodically time-modulated material parameters. Focusing on a high-contrast regime, we use a scattering framework based on Fourier expansions and…
The metallurgy and materials communities have long known and exploited fundamental links between chemical and structural ordering in metallic solids and their mechanical properties. The highest reported strength achievable through the…
Using first principles calculations, {111} intrinsic stacking fault (ISF) energies in Group IVB, VB, and VIB high-entropy transition metal carbides are shown to be predictable from an optimized rule of mixtures based on the properties of…
We report on electrical resistivity, magnetoresistance (MR) and Hall effect measurements in four non-superconducting BaFe$_{2-x}$TM$_x$As$_2$ (TM = Mn, Cu and Ni) single crystals with small values of the chemical substitution $x$. The spin…
Supported by a kinetic simulation, we derive an exclusion energy parameter $\cal{E}_X$ providing a lower kinetic energy bound for an electron to cross from one inflow region to the other during magnetic reconnection. As by a Maxwell Demon,…
Exchange interaction strongly influences the long-range behaviour of localised electron orbitals. It violates the oscillation theorem (creates extra nodes) and produces a power-law decay instead of the usual exponential decrease at large…
Exclusive measurements of the production of eta mesons in the p+p->p+p+eta reaction have been carried out at excess energies of 16 and 37 MeV above threshold. The deviations from phase space are dominated by the proton-proton final state…
We investigate the residual energy distribution in the electron capture (EC) process of $^{159}$Dy, emphasizing the role of subthreshold atomic states, which have typically been omitted in conventional spectral analyses. By incorporating…
We describe a first-principles statistical mechanics method to calculate the free energies of crystalline alloys that depend on temperature, composition, and strain. The approach relies on an extension of the alloy cluster expansion to…
Even if the atoms of a multicomponent alloy occupy a common lattice, their distribution is not homogeneous, and regions with different compositions can be detected. Three representative examples will be discussed: a Cantor-type system…
Phase selection in Ti-Zr-Hf-Al high-entropy alloys was investigated by in-situ high-energy X$-$ray diffraction, single-crystal X$-$ray diffraction, and density-functional theory based electronic-structure methods that address disorder and…
High-entropy alloys (HEAs) were presumed to have a configurational entropy as high as that of an ideally mixed solid solution (SS) of multiple elements in near-equal proportions. However, enthalpic interactions inevitably render such…
A density perturbation produced in an underdense plasma was used to improve the quality of electron bunches produced in the laser-plasma wakefield acceleration scheme. Quasi-monoenergetic electrons were generated by controlled injection in…
We have simultaneously measured angular distributions and electronic energy loss of helium ions and protons directly transmitted through self-supporting, single-crystalline silicon foils. We have compared the energy loss along channelled…
Medium- and high-entropy alloys (M/HEAs) mix multiple principal elements with near-equiatomic composition and represent a paradigm-shift strategy for designing new materials for metallurgy, catalysis, and other fields. One of the core…
Accurate predictions of the properties of transition metal oxides using density functional theory (DFT) calculations are essential for the computational design of energy materials. In this work, we investigate the anomalous reversal of the…
The effects of atomic short-range order on the properties of Pb(Zr_{1-x}Ti_x)O_3 alloy in its morphotropic phase boundary (MPB) are predicted by combining first-principles-based methods and annealing techniques. Clustering is found to lead…
To realize efficient nonlinear metamaterials, we investigate a method for enhancing the local electric field in a metamolecule composed of two radiatively coupled cut-wire resonators where resonance of the cut-wire resonators and…
The development of machine learning sheds new light on the traditionally complicated problem of thermodynamics in multicomponent alloys. Successful application of such a method, however, strongly depends on the quality of the data and…