- Aluminum Alloys Composites Properties
- Aluminum Alloy Microstructure Properties
- Inorganic Fluorides and Related Compounds
- Gas Sensing Nanomaterials and Sensors
- Industrial Gas Emission Control
- Metallurgical and Alloy Processes
- Graphene research and applications
Abstract Metallic glasses are very strong and elastic because of their unique atomic structure. However, they often break suddenly lack ductility. The study aims to investigate the reinforcement mechanism amorphous Fe3Cu by molecular dynamics simulations. To achieve this, different lengths orientations graphene introduced explore effects on Fe3Cu. Additionally, thicknesses crystalline Cu3Fe incorporated basis embedding examine influence strength ductility It is shown that complete with a...
Abstract In recent years, the ideal- properties (young’s modulus, yield strength, toughness) and advanced application potential of high-entropy alloys (HEAs) have attracted numerous researchers. However, due to their unique structure multiple structural combinations, it is challenging explore impact various factors on mechanical performance solely through experiments. This study considers concentrations five alloy atoms working temperature as input parameters. Molecular dynamics (MD)...
Abstract This article studies the adsorption effect of pristine WS 2 and Pd, Mo, Ni-doped on HF HCN gases based density functional theory. The energy band structure, states (DOS), charge differential (CDD), energy, transfer, molecular orbitals materials are calculated. results show that significantly improve gases. Moreover, Mo_WS /HF system exhibits a transfer 0.48 e, higher than other systems. Ni_WS systems exhibit an increase in transferred charges compared to as adsorbing HCN, which easy...