Related papers: Predicting interstitial elements in Refractory Com…
The development of alloys that are hydrogenated and dehydrogenated quickly and actively at room temperature is a challenge for the safe and compact storage of hydrogen. In this study, a new high-entropy alloy (HEA) with AB-type…
Organic electrochemical transistors offer powerful functionalities for biosensors and neuroinspired electronics, with still much to understand on the time dependent behavior of this electrochemical device. Here, we report on distributed…
Interfacial superconductivity has manifested itself in various types of heterostructures: band insulator-band insulator, band insulator-Mott insulator, and Mott insulator-metal. We report the observation of high-temperature…
Simple relations for deriving the oxygen abundance in HII regions with intensities of the three strong emission lines R_2, R_3, and N_2 (R calibration) or S_2, R_3, and N_2 (S calibration) in their spectra are suggested. A sample of 313…
In this degree work, a theoretical computational study on high entropy alloys (HEAs) was carried out. Two specific alloys were chosen for study, AlCoCrFeNi and TiVZrNbHf. The study was based on the parameters deduced from the Hume-Rothery…
Molecular oxygen has been the subject of many observational searches as chemical models predicted it to be a reservoir of oxygen. Although it has been detected in two regions of the interstellar medium, its rarity is a challenge for…
Variations with oxygen concentration of titanium lattice parameters are obtained by means of ab initio calculations, considering the impact of oxygen ordering. The quasiharmonic approximation is used to take into account the thermal…
Metal-organic frameworks (MOFs) are promising materials for gas sensing but are often limited to single-use detection. We demonstrate a hybridization strategy synergistically deploying conductive MOFs (cMOFs) and conductive polymers (cPs)…
Intermetallic compounds possess unique atomic arrangements that often lead to exceptional material properties, but their extreme brittleness usually causes fracture at a limited strain of less than 1% and prevents their practical use.…
High entropy alloys (HEA) show promise as a new type of high-performance structural material. Their vast degrees of freedom provide for extensive opportunities to design alloys with tailored properties. However, the compositional…
High-throughput methods enable accelerated discovery of novel materials in complex systems such as high-entropy alloys, which exhibit intricate phase stability across vast compositional spaces. Computational approaches, including Density…
Two new, low activation high entropy alloys (HEAs) TiVZrTa and TiVCrTa are studied for use as in-core, structural nuclear materials for in-core nuclear applications. Low-activation is a desirable property for nuclear reactors, in an attempt…
A finite element model consisting of a conducting filament with or without a gap was used to reproduce behavior of TaO$_x$-based resistive switching devices. The specific goal was to explore the range of possible filament parameters such a…
We numerically study thermodynamic and structural properties of the one-component Gaussian core model (GCM) at very high densities. The solid-fluid phase boundary is carefully determined. We find that the density dependence of both the…
Compositionally complex alloys or concentrated solid solutions are the latest frontier in catalyst design, but mixing different elements in one catalyst may result in surface segregation. Atomistic simulations can predict segregation…
We present results on the effects of interstitial oxygen and carbon on a bulk-niobium superconducting radio-frequency cavity. Previous experiments have shown that high-temperature (~800 $^\circ\text{C}$) nitrogen-doping plays the dominant…
Due to the recent restrictions deriving from the application of the Kyoto protocol, the main components of the gas mixtures presently used in the Resistive Plate Chambers systems of the LHC experiments will be most probably phased out of…
Corrosion has a wide impact on society, causing catastrophic damage to structurally engineered components. An emerging class of corrosion-resistant materials are high-entropy alloys. However, high-entropy alloys live in high-dimensional…
The yield strength plateau of two BCC refractory high entropy alloys (RHEAs) - MoNbTaVW and MoNbTaW was examined through hybrid Monte Carlo and molecular dynamics (MC/MD) simulations. By analyzing atomic diffusivities derived from vacancy…
Compared to traditional superhard materials with high electron density and strong covalent bonds, alloy materials mainly composed of metallic bonding structures typically have great toughness and lower hardness. Breaking through the limits…