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Seismic and mineralogical studies have suggested regions at Earth’s core-mantle boundary may be highly enriched in FeO, reported to exhibit metallic behavior at extreme pressure-temperature (P–T) conditions. However, underlying electronic processes in FeO remain poorly understood. Here we explore the electronic structure ofB1-FeO at extreme conditions with large-scale theoretical modeling using state-of-the-art embedded dynamical mean field theory (eDMFT). Fine sampling of the phase diagram reveals that, instead of sharp metallization, compression of FeO at high temperatures induces a gradual orbitally selective insulator-metal transition. Specifically, atP–Tconditions of the lower mantle, FeO exists in an intermediate quantum critical state, characteristic of strongly correlated electronic matter. Transport in this regime, distinct from insulating or metallic behavior, is marked by incoherent diffusion of electrons in the conductingt_2gorbital and a band gap in thee_gorbital, resulting in moderate electrical conductivity (~10⁵S/m) with modestP–Tdependence as observed in experiments. Enrichment of solid FeO can thus provide a unifying explanation for independent observations of low seismic velocities and elevated electrical conductivities in heterogeneities at Earth’s mantle base.

 

In this investigation, we explore the impact of the Nb–Al ratio on the microstructural and mechanical properties of high-entropy superalloys (HESAs), focusing on hierarchical microstructures. Utilizing a series of HESAs with varying Nb–Al ratios, our study employs advanced characterization techniques, including differential scanning calorimetry (DSC) for thermal analysis, electron probe micro-analyzer (EPMA) for compositional analysis for the design of a homogenization treatment at 1500 K/24 h. Transmission electron microscopy (TEM) reveals that the increasing Nb–Al ratio refines the γ' precipitates and influences the size and volume fraction of embedded hierarchical γ particles. ThermoCalc equilibrium phase analysis and Vegard's-law calculations reveal a minimal lattice misfit between these phases, highlighting the interplay between Nb–Al ratio and phase stability. The increasing Nb–Al ratio inhibits the formation of hierarchical γ particles. We observe an enhancement in hardness from 433 HV to 492 HV with an increasing Nb–Al ratio. This study provides valuable insights into the role of Nb and the Nb–Al ratio in HESAs with hierarchical microstructures, demonstrating its significant influence on γ particle formation within γ' precipitates and mechanical strength. The findings advance our understanding of alloy design and pave the way for developing advanced HESAs for high-temperature applications. 

Many quantum algorithms are developed to evaluate eigenvalues for Hermitian matrices. However, few practical approach exists for the eigenanalysis of non-Hermintian ones, such as arising from modern power systems. The main difficulty lies in the fact that, as the eigenvector matrix of a general matrix can be non-unitary, solving a general eigenvalue problem is inherently incompatible with existing unitary-gate-based quantum methods. To fill this gap, this paper introduces a Variational Quantum Universal Eigensolver (VQUE), which is deployable on noisy intermediate scale quantum computers. Our new contributions include: (1) The first universal variational quantum algorithm capable of evaluating the eigenvalues of non-Hermitian matrices—Inspired by Schur’s triangularization theory, VQUE unitarizes the eigenvalue problem to a procedure of searching unitary transformation matrices via quantum devices; (2) A Quantum Process Snapshot technique is devised to make VQUE maintain the potential quantum advantage inherited from the original variational quantum eigensolver—With additional$$O(log_{2}{N})$$$O\left(lo{g}_{2}N\right)$quantum gates, this method efficiently identifies whether a unitary operator is triangular with respect to a given basis; (3) Successful deployment and validation of VQUE on a real noisy quantum computer, which demonstrates the algorithm’s feasibility. We also undertake a comprehensive parametric study to validate VQUE’s scalability, generality, and performance in realistic applications.

 

Controlling electron transfer (ET) processes in donor–bridge–acceptor (DBA) compounds by mid-IR excitation can enhance our understanding of the ET dynamics and may find practical applications in molecular sensing and molecular-scale electronics.