First-principles study of the nucleation and stability of ordered precipitates in ternary Al-Sc-Li alloys

Acta Materialia

Volumn 59, Issue 8, 2011, Pages 3012-3023

  Mao, Z ^a   Chen, W ^a   Seidman, D N ^a   Wolverton, C ^a  

^a Northwestern University   (United States)

Author keywords

Al Sc Li; Core shell structures; First principles; Interfacial energy; Site substitution

Indexed keywords

AL ALLOYS; AL-SC-LI; ATOMIC SIZES; COHERENCY STRAIN; COHERENCY STRAIN ENERGY; COHERENT INTERFACE; CORE/SHELL STRUCTURE; ENERGETIC STABILITY; EXPERIMENTAL VALUES; FIRST PRINCIPLES; FIRST-PRINCIPLES DENSITY FUNCTIONAL CALCULATIONS; FIRST-PRINCIPLES STUDY; INTERFACIAL ENERGETICS; NUCLEATION BARRIER; NUCLEATION BEHAVIOR; PRECIPITATE SIZE; SITE PREFERENCES; SITE SUBSTITUTION; SUB-LATTICES; TOTAL ENERGY; VIBRATIONAL FREE ENERGY;

ALLOYS; ALUMINUM; CALCULATIONS; CERIUM ALLOYS; INTERFACIAL ENERGY; NUCLEATION; PHASE INTERFACES; PRECIPITATES; SCANDIUM; THERMODYNAMICS;

LITHIUM ALLOYS;

EID: 79953172190     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2011.01.041     Document Type: Article

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