Atomic phase diagram  

作　　者：LIShichun 

机构地区：[1]MaterialsDepartment,UniversityofPetroleum,Dongying257061,China

出　　处：《Progress in Natural Science:Materials International》2004年第2期113-118,共6页自然科学进展·国际材料（英文版）

基　　金：SupportedbytheNationalNaturalScienceFoundationofChina (GrantNos.5 98710 3 1;5 0 3 710 5 9)andtheBasisResearchFoundationofUniver sityofPetroleum (ZX980 8)

摘　　要：Based on the Thomas-Fermi-Dirac-Cheng model, atomic phase diagram or electron density versus atomic radius diagram describing the interaction properties of atoms of different kinds in equilibrium state is developed. Atomic phase diagram is established based on the two-atoms model. Besides atomic radius, electron density and continuity condition for electron density on interfaces between atoms, the lever law of atomic phase diagram involving other physical parameters is taken into account, such as the binding energy, for the sake of simplicity.Based on the Thomas-Fermi-Dirac-Cheng model, atomic phase diagram or electron density versus atomic radius diagram describing the interaction properties of atoms of different kinds in equilibrium state is developed. Atomic phase diagram is established based on the two-atoms model. Besides atomic radius, electron density and continuity condition for electron density on interfaces between atoms, the lever law of atomic phase diagram involving other physical parameters is taken into account, such as the binding energy, for the sake of simplicity.

关 键 词：TFDC model atom phase diagram two-atoms model electron density atomic radius. 

分 类 号：O641[理学—物理化学]