Molecule-like chemical units in metallic alloys

作     者：Dandan Dong Qing Wang Chuang Dong Tai-Gang Nieh 董丹丹;王清;董闯;Tai-Gang Nieh

作者机构：College of Physical Science and TechnologyDalian UniversityDalian 116622China School of Materials Science and EngineeringDalian Jiaotong UniversityDalian 116028China Key Laboratory for Materials Modification by LaserIon and Electron Beam(Dalian University of Technology)Ministry of EducationDalian 116024China Hong Kong Institute for Advanced Study/Department of Materials Science and EngineeringCity University of Hong KongHong KongChina On leave from Department of Materials Science and EngineeringUniversity of TennesseeKnoxville37996-2100TennesseeUSA 

基　　金：supported by the National Natural Science Foundation of China(51801017) the Key Discipline and Major Project of Dalian Science and Technology Innovation Foundation(2020JJ25CY004) the Subject Development Foundation of Key Laboratory of Surface Physics and Chemistry(XKFZ201706) the State Key Lab of Advanced Metals and Materials(2018-Z03) the Scientific Challenge Program for National Defense Basic Scientific Research(TZ2016004) supported by the US National Science Foundation under Contract DMR-0905979 

出 版 物：《Science China Materials》 (中国科学（材料科学（英文版）)

年 卷 期：2021年第64卷第10期

页      码：2563-2571页

摘      要：Each conventional alloy has its own specific compositions but the compositional origin is largely unknown due to our insufficient understanding about chemical shortrange ordering in the alloy,in particular,in the solid-solution *** the present paper,the compositions of metallic alloys are discussed and formulated,by unveiling the basic moleculelike structural units in solid *** oscillation theory,which describes the partial charge screening behavior in solid solutions,and henceforth the origin of short-range ordering,is applied to pin down the ideal chemical compositions of conventional metallic *** propose that,at a specific composition,atoms self-assemble into an ideally ordered structure consisting of atoms residing in the nearestneighbor shell(denoted as cluster)plus those in the next outer shell(denoted as glue atoms),which can be formulated as[cluster](glue atoms).This simplified version of short-rangeorder structure represents the smallest charge-neutral and mean-density zone(termed as“chemical units”)and can be regarded as the‘molecules’of solid ***,the chemical units and the corresponding molecule-like formulas for face-centered-cubic(FCC),hexagonal close-packed(HCP),and body-centered cubic(BCC)structures are analyzed and equations are obtained to identify the chemical formulas for FCC solid *** instance,well-knownα-brass Cu-30 Zn alloy is formulated as[Zn-Cu_(12)]*** of aluminum alloys,superalloys and stainless steels are also illustrated,demonstrating the versatility of the present model to interpret chemically complex alloys.

主 题 词：metallic alloys chemical unit solid solution shortrange order cluster-plus-glue-atom model 

学科分类：08[工学] 080502[080502] 0805[工学-能源动力学] 

核心收录：

D　O　I：10.1007/s40843-020-1659-1

馆 藏 号：203103573...