Related papers: Predicting Two-Dimensional Boron-Carbon Compounds …
We propose a new family of two-dimensional (2D) metal-borocarbide clathrane superconductors, derived from three-dimensional (3D) MM$^\prime$B$_6$C$_6$ clathrates. First-principles calculations reveal that hydrogen passivation and surface…
Ultrananocrystalline diamond/hydrogenated amorphous carbon composite thin films synthesized via coaxial arc plasma possess a marked structural feature of diamond grains embedded in an amorphous carbon and a hydrogenated amorphous carbon…
The recent discovery of borophene, a two-dimensional allotrope of boron, raises many questions about its structure and its chemical and physical properties. Boron has a high chemical affinity to oxygen but little is known about the…
Boron suboxide B6O, the hardest known oxide, has an R-3m crystal structure ({\alpha}-B6O) that can be described as an oxygen-intercalated structure of {\alpha}-boron, or, equivalently, as a cubic close packing of B12 icosahedra with two…
Finding robot poses and trajectories represents a foundational aspect of robot motion planning. Despite decades of research, efficiently and robustly addressing these challenges is still difficult. Existing approaches are often plagued by…
Learning about the three-dimensional world from two-dimensional images is a fundamental problem in computer vision. An ideal neural network architecture for such tasks would leverage the fact that objects can be rotated and translated in…
Configurationally disordered crystalline boron carbide, B$_{4}$C, is studied using first-principles calculations. We investigate both dilute and high concentrations of carbon-boron substitutional defects. For the latter purpose, we suggest…
We have developed a software package CALYPSO (Crystal structure AnaLYsis by Particle Swarm Optimization) to predict the energetically stable/metastable crystal structures of materials at given chemical compositions and external conditions…
A periodic structure sandwiched between two homogeneous media can support bound states in the continuum (BICs) that are valuable for many applications. It is known that generic BICs in periodic structures with an up-down mirror symmetry and…
The search for the model or ingredients that describe the current vision of our cosmos has led to the creation of a set of highly favorable experiments, and therefore a great flow of information. Due to this torrent of information and the…
Noting the structural relationships between phases of carbon and boron carbide with phases of boron nitride and boron subnitride, we investigate their mutual solubilities using a combination of first principles total energies supplemented…
In this study, we applied ab initio $T_\mathrm{c}$ calculations to compounds with the ThCr$_2$Si$_2$-type structure to search for BCS superconductor candidates. From the 1883 compounds registered in the Inorganic Crystal Structure Database,…
h-BCN is an intriguing material system where the bandgap varies considerably depending on the atomic configuration, even at a fixed composition. Exploring stable atomic configurations in this system is crucial for discussing the energetic…
Extreme confinement of electromagnetic energy by phonon polaritons holds the promise of strong and new forms of control over the dynamics of matter. To bring such control to the atomic-scale limit, it is important to consider phonon…
Resonant absorption imaging is a common technique for detecting the two-dimensional column density of ultracold atom systems. In many cases, the system's thickness along the imaging direction greatly exceeds the imaging system's depth of…
The structure of CO adsorbates on the Rh(110) surface is studied at full coverage using first-principles techniques. The relative energies of different adsorbate geometries are determined by means of accurate structure optimizations. In…
In this letter we propose a new methodology for crystal structure prediction, which is based on the evolutionary algorithm USPEX and the machine-learning interatomic potentials actively learning on-the-fly. Our methodology allows for an…
Though commonly unrecognized, a superconducting BCS condensate consists of equal numbers of two-electron (2e) and two-hole (2h) Cooper pairs (CPs). A complete (in the sense that 2h-CPs are not ignored) boson-fermion statistical model,…
Drones are effective for reducing human activity and interactions by performing tasks such as exploring and inspecting new environments, monitoring resources and delivering packages. Drones need a controller to maintain stability and to…
Each and every biological function in living organism happens as a result of protein-protein interactions.The diseases are no exception to this. Identifying one or more proteins for a particular disease and then designing a suitable…