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Discovering novel high-entropy alloys (HEAs) with desirable properties is challenging due to the vast compositional space and complex phase formation mechanisms. Efficient exploration of this space requires a strategic approach that…
Using time-dependent density functional theory, high-harmonic generation (HHG) is studied in one-dimensional structures of sizes from a single nucleus up to hundreds of nuclei. The HHG cutoff is observed to extent linearly with the system…
We predict a quantum phase transition in fcc Ca under hydrostatic pressure. Using density functional theory, we find at pressures below 80 kbar, the topology of the electron charge density is characterized by nearest neighbor atoms…
Medium-resolution (R~6,500) spectra of 97 giant stars in the globular cluster 47 Tucanae (47 Tuc) have been used to derive the C and N abundance sensitive index, deltaC, and to infer abundances of several key elements, Fe, Na, Si, Ca, Zr…
High-entropy alloys (HEAs) are at the focus of current research for their diverse properties, including superconductivity and structural polymorphism. However, the polymorphic transition has been observed only in nonsuperconducting HEAs and…
The superconducting high-entropy alloys (HEAs) recently attract considerable attention due to their exciting properties, such as the robustness of superconductivity against atomic disorder and extremely high-pressure. The well-studied…
A catalog compiling the parameters of 346 open clusters, including their metallicities, positions, ages, and velocities has been composed. The elements of the Galactic orbits for 272 of the clusters have been calculated. Spectroscopic…
High-entropy oxide (HEO) thermodynamics transcend temperature-centric approaches, spanning a multidimensional landscape where oxygen chemical potential plays a decisive role. Here, we experimentally demonstrate how controlling the oxygen…
The body centered cubic (BCC) high entropy alloys MoNbTaW and MoNbTaVW show exceptional strength retention up to 1900K. The mechanistic origin of the retained strength is unknown yet is crucial for finding the best alloys across the immense…
Classical hard spheres crystallize at equilibrium at high enough density. Crystals made up of stackings of 2-dimensional hexagonal close-packed layers (e.g. fcc, hcp, etc.) differ in entropy by only about $10^{-3}k_B$ per sphere (all…
The rheological behavior of metallic alloys containing both solid and liquid phases is investigated in the low solid fraction range (<50%). This behavior depends on both the solid fraction and the shear rate. The concept of Effective Volume…
The phenomenon of Bose-Einstein condensation is investigated in the context of the Color-Glass-Condensate description of the initial state of ultrarelativistic heavy-ion collisions. For the first time, in this paper we study the influence…
Although electronic density of states (DOS) is fundamental to materials properties, its general relationship to mechanical properties of alloys is not well established. In this paper, using density functional theory (DFT) calculations, we…
Body-centered cubic (bcc) refractory multicomponent alloys are of great interest due to their remarkable strength at high temperatures. Meanwhile, further optimizing the chemical compositions of these alloys to achieve a combination of high…
We present an extensive first-principles database of solute-vacancy, homoatomic, heteroatomic solute-solute, and solute-solute-vacancy binding energies of relevant alloying elements in aluminum. We particularly focus on the systems with…
High entropy alloys (HEAs) have captured much attention in recent years due to their conceivably improved radiation resistance compared to pure metals and traditional alloys. However, among HEAs, there are millions of design possibilities…
We have produced a Bose-Einstein condensate of metastable helium (4He*) containing over 1.5x10^7 atoms, which is a factor of 25 higher than previously achieved. The improved starting conditions for evaporative cooling are obtained by…
We have calculated the ground state electronic structure of He under pressure from 0 to 1500 GPa using both all-electron full-potential and pseudopotential methods based on the density functional theory (DFT). We find that throughout this…
First principles studies were performed in order to find out the possibility of inducing half-metallicity in Heusler Compound CoFeMnSb, by means of alloying it with 3d-transition metal elements. Proper alloying element is selected through…
In this study, a single-phase nanocrystalline Al-Cu-Fe-Ni-Cr high-entropy alloy (HEA) has been synthesized by mechanical alloying and comprehensively investigated for hydrogen storage responses evaluated in details. High-energy attritor…