Atomic-scale simulations in multi-component alloys and compounds:A review on advances in interatomic potential

Multi-component alloys have demonstrated excellent performance in various applications,but the vast range of possible compositions and microstructures makes it challenging to identify optimized alloys for specific purposes.To overcome this challenge,large-scale atomic simulation techniques have been widely used for the design and optimization of multi-component alloys.The capability and reliability of large-scale atomic simulations essentially rely on the quality of interatomic potentials that describe the interactions between atoms.This work provides a comprehensive summary of the latest advances in atomic simulation techniques for multi-component alloys.The focus is on interatomic potentials,including both conventional empirical potentials and newly developed machine learning potentials(MLPs).The fitting processes for different types of interatomic potentials applied to multi-component alloys are also discussed.Finally,the challenges and future perspectives in developing MLPs are thoroughly addressed.Overall,this review provides a valuable resource for researchers interested in developing optimized multicomponent alloys using atomic simulation techniques.

A Facile Synthesis of Benzo[h]quinolines via Silica-TsOH-P2O5 Promoted Condensation of 1-Naphthylamines with 1,3-Diketones under Solvent Free Conditions

benzo 的灵巧的合成[h ] 喹啉经由改进深谷反应被开发了。硅石胶化， p-toluenesulfonic 酸和磷 pentoxide 的联合被利用在溶剂下面与 1,3-diketones 支持 1-naphthylamines 的冷凝作用免费条件。在这种情况中，当反应媒介， p-toluenesulfonic 酸和磷 pentoxide 作为催化剂被扮演并且分别地使代理人脱水，硅石胶化被使用。