相关论文: Uncommon clustering in dilute Ti-Fe alloys
We investigate the properties of clusters formed from two connected $\mathrm{Ge_{m}}$ cage-like clusters, such as experimentally synthesized $\mathrm{Au_3Ge_{18}^{5-}}$, using first-principles DFT methods. We focus particularly on…
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…
Phase equilibria in the Al-Ti-Nb-Zr-Ta refractory complex concentrated alloy system were investigated using a high throughput experimental approach. A pseudo-ternary section of the quinary compositional space was prepared by a honeycomb…
Iron-sulfur clusters conduct a wide variety of biochemical reactions that are conserved across all domains of life. The hyperfine structure of reactive ligands of these clusters can be studied experimentally and theoretically by means of…
This study explores Ti-containing complex concentrated alloys (CCAs) within the AlMoNbTiZr system, focusing on compositions located in regions of the Bo-Md diagram characterized by low bond order (Bo) and d-orbital energy level (Md). Four…
We present a new approach to study the magnetic phase stability of magnetic overlayers on nonmagnetic substrates. The exchange integrals among magnetic atoms in the overlayer are estimated in the framework of the adiabatic approximation and…
By combining ab-initio electron theory and statistical mechanics, the physical properties of the ternary intermetallic system Ni-Fe-Al in the ground state and at finite temperatures were investigated. The Ni-Fe-Al system is not only of high…
Motivated by the idea of using simple macroscopic examples to illustrate the physics of complex systems, we modify a historic experimental setup in which interacting floating magnets spontaneously self-assemble into ordered clusters. By…
We theoretically investigate impurity correlation and magnetic clustering effects on the long-range ferromagnetic ordering in diluted magnetic semiconductors, such as $\textrm{Ga}_{1-x}\textrm{Mn}_{x}\textrm{As}$, using analytical arguments…
We here study electronic structure and magnetic properties of bcc Co$_{x}$Fe$_{1-x}$, Cr$_{x}$Fe$_{1-x}$ and Mn$_{x}$Fe$_{1-x}$ in their ferromagnetic phases using Augmented Space Recursion technique coupled with tight-binding linearized…
Cluster synchronization is a fundamental phenomenon in systems of coupled oscillators. Here, we investigate clustering patterns that emerge in a unidirectional ring of four delay-coupled electrochemical oscillators. A voltage parameter in…
This communication reports the first example of cyclic ferric clusters with an odd number of iron atoms capped by phosphonate ligands, namely, [Fe9(m-OH)7(m-O)2(O3PC6H9)8-(py)12]. The magnetic studies support a S = 1/2 ground state with an…
Room temperature solute clustering in aluminium alloys, or natural ageing, despite its industrial relevance, is still subject to debate, mostly due to its experimentally challenging nature. To better understand the complex…
Composition, atomic structure, and electronic properties of TM$_x$Mg$_y$O$_z$ clusters (TM = Cr, Ni, Fe, Co, $x+y \leq 3$) at realistic temperature $T$ and partial oxygen pressure $p_{\textrm{O}_2}$ conditions are explored using the {\em ab…
Two iron-chalcogenide superconductors Li(x)[C5H5N](y)Fe(2-z)Se2 and Cs(x)Fe(2-z)Se2 in the as-prepared and annealed state have been investigated by means of the Moessbauer spectroscopy versus temperature. Multi-component spectra are…
We present a theoretical analysis of electronic structure evolution in the highly-mismatched dilute carbide group-IV alloy Ge$_{1-x}$C$_{x}$. For ordered alloy supercells, we demonstrate that C incorporation strongly perturbs the conduction…
Linear complexions are defect states that have been recently discovered along dislocations in body centered cubic Fe-based alloys. In this work, we use atomistic simulations to extend this concept and explore segregation-driven structural…
It was shown that anomalous resistivity behavior of the $Cu-Mn-Al$ ribbons is explained by the s-d interaction between conduction electrons and the clustered Mn atoms. While nuclear magnetic resonance measurements show the antiferromagnetic…
We employ first principles total energy and phonon calculations to address the structure and stability of Al$_2$Fe. This structure, which is reported as stable in the assessed Al-Fe phase diagram, is distinguished by an unusually low…
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…