相关论文: Evolutionary optimization of a charge transfer ion…

One-axis twisting (OAT) interaction is a pivotal resource for manipulating quantum states of atomic ensembles, enabling spin squeezing, atomic-cat-state generation, and weak-phase amplification. Current implementations of OAT dynamics…

For a previously published study of the titanium hcp (alpha) to omega (omega) transformation, a tight-binding model was developed for titanium that accurately reproduces the structural energies and electron eigenvalues from all-electron…

Pattern search is crucial in numerous analytic applications for retrieving data entries akin to the query. Content Addressable Memories (CAMs), an in-memory computing fabric, directly compare input queries with stored entries through…

Transition-state searches are central to understanding reaction mechanisms, but the high computational cost of density-functional theory (DFT) limits their application in high-throughput catalyst and materials discovery. Machine-learned…

Silicon carbide (SiC) has long been a subject of study for its application in harsh environments. Existing empirical interatomic potentials for 3C-SiC show significant discrepancies in predicting the properties that are crucial in…

We present the design of a new type of compact toroidal, or "halo", ion trap. Such traps may be useful for mass spectrometry, studying small Coulomb cluster rings, quantum information applications, or other quantum simulations where a ring…

In this paper, we propose an iterative convolution-thresholding method (ICTM) based on prediction-correction for solving the topology optimization problem in steady-state heat transfer equations. The problem is formulated as a constrained…

TaON and Ta3N5 are considered promising materials for photocatalytic and photoelectrochemical water splitting. But their counterpart Ta2O5 does not have good photocatalytic performance. This may cause by the different charge carrier…

Titanium nitride (TiN) is a paradigm of refractory transition metal nitrides with great potential in vast applications. Generally, the plasmonic performance of TiN can be tuned by oxidation, which was thought to be only temperature-, oxygen…

The integration of superconducting niobium and tantalum into superconducting quantum devices has been increasingly explored over the past few years. Recent developments have shown that two-level-systems (TLS) in the surface oxides of these…

In strongly correlated oxides, heterointerfaces, manipulating the interaction, frustration, and discontinuity of lattice, charge, orbital, and spin degrees of freedom, generate new possibilities for next generation devices. In this study,…

We present a tight-binding potential for transition metals, carbon, and transition metal carbides, which has been optimized through a systematic fitting procedure. A minimal basis, including the s, p electrons of carbon and the d electrons…

The recent observation of superconductivity at the interfaces between KTaO3 and EuO (or LaAlO3) offers a new example of emergent phenomena at oxide interfaces. This superconductivity exhibits an unusual strong dependence on the crystalline…

Monolithic active pixel sensors (MAPS) are now well established as a technology for tracking charged particles, especially when low material budget is desirable. For such applications, sensors focus on spatial resolution and pixels with…

We describe a framework for controlling and improving the quality of high-order finite element meshes based on extensions of the Target-Matrix Optimization Paradigm (TMOP) of Knupp. This approach allows high-order applications to have a…

Metastable materials are abundant in nature and technology, showcasing remarkable properties that inspire innovative materials design. However, traditional crystal structure prediction methods, which rely solely on energetic factors to…

Behavior consistent with Coulomb-mediated high-T$_C$ superconductivity is shown to be present in the intercalated group-4-metal nitride halides A$_x$(S)$_y$MNX, where the MNX host (M = Ti, Zr, Hf; X = Cl, Br) is partially intercalated with…

As a compound in between the tantalum oxide and nitride, the tantalum oxynitride TaON is expected to combine their advantages and act as an efficient visible-light-driven photocatalyst. In this letter, using hybrid functional calculations…

The microstructure of the Ti-Al binary system is an area of great interest as it affects material properties and plasticity. Phase transformations induce microstructural changes; therefore, accurately modeling the phase transformations of…

Cu-diamond composites are recognized as promising high-thermal-conductivity candidates for electronic cooling, offering tunable properties and competitive cost. However, their performance is significantly limited by the poor Cu/diamond…