Related papers: Chemical complexity in high entropy alloys: A pair…
We present the derivation of an ab-initio and parameter free effective electron-electron interaction that goes beyond the screened RPA and accounts for superconducting pairing driven by spin-fluctuations. The construction is based on many…
Radical-ion-pair reactions were recently shown to manifest a host of non-trivial quantum effects accounted for by quantum measurement theory. An alternative approach purporting to describe the fundamental quantum dynamics of spin-selective…
A Nilsson mean-field plus extended pairing interaction Hamiltonian with many-pair interaction terms is proposed. Eigenvalues of the extended pairing model are easy to obtain. Our investigation shows that one- and two-body interactions…
The quaternary alloy AlCrTiV has been proposed as both a lightweight high entropy alloy and also a functional spin filter material based on the Heusler structure. Experimental investigations to-date, based on X-ray diffraction, offer…
A formalism for the vacancy formation energies in random alloys within the single-site mean-filed approximation, where vacancy-vacancy interaction is neglected, is outlined. It is shown that the alloy configurational entropy can…
The In-Sn binary alloy system exhibits several unusual features that challenge crystallographic and thermodynamic expectations. We combine first principles total energy calculation with simple thermodynamic modeling to address two key…
Empirical complex systems can be characterized not only by pairwise interactions, but also by higher-order (group) interactions influencing collective phenomena, from metabolic reactions to epidemics. Nevertheless, higher-order networks'…
Understanding atomic hydrogen (H) diffusion in multi-principal element alloys (MPEAs) is essential for advancing clean energy technologies such as H transport, storage, and nuclear fusion applications. However, the vast compositional space…
Dynamical and thermal characterizations of excited nuclear systems produced during the collisions between two heavy ions at intermediate incident energies are presented by means of a review of experimental and theoretical work performed in…
We develop several configuration interaction approaches for characterizing the electronic structure of an adsorbate on a metal surface (at least in model form). When one can separate adsorbate from substrate, these methods can achieve a…
Event-by-event particle ratio fluctuations for simulated data sets of three different models named UrQMD, AMPT, and Pythia are studied using the fluctuation variable $\nu_{dyn}$. The simulated data sets produced in $pp$ collisions at four…
High-entropy alloys (HEAs) with various promising applications have attracted significant interest. However, alloying immiscible metal elements while controlling the morphology and crystallinity remains extremely challenging. We report a…
We present new method for studying the equilibrium properties of interacting fluids in an arbitrary external filed. The method is valid in any dimension and it yields an exact results in one dimension. Using this approach, we derive a…
We consider viscous, heat conducting mixtures of molecularly miscible chemical species forming a fluid in which the constituents can undergo chemical reactions. Assuming a common temperature for all components, we derive a closed system of…
Ab initio techniques have revolutionised the way in which theory can help practitioners to explore critical mechanisms that govern reactions or properties, and to develop new strategies for materials discovery and design. Yet, their…
We calculate the thermally averaged rates for the $\eta$-$\pi$ conversion and $\eta$ scattering using the Di Vecchia-Veneziano model and t' Hooft model, which incorporate explicitly the $U(1)_A$ anomaly. Assuming an exponential suppression…
The interelectronic-interaction effect on the transition probabilities in high-Z He-like ions is investigated within a systematic quantum electrodynamic approach. The calculation formulas for the interelectronic-interaction corrections of…
High-entropy alloys (HEAs), as multi-component materials with high configurational entropy, have garnered significant attention as new biomaterials; still, their low yield stress and high elastic modulus need to be overcome for future…
The Hubbard model is investigated in the framework of lattice density functional theory (LDFT). The single-particle density matrix $\gamma_{ij}$ with respect the lattice sites is considered as the basic variable of the many-body problem. A…
At the Mott transition, electron-electron interaction changes a metal, in which electrons are itinerant, to an insulator, in which electrons are localized. This phenomenon is central to quantum materials. Here we contribute to its…