Mg segregation at Al/Al3Sc heterophase interfaces on an atomic scale:: Experiments and computations -: art. no. 036101

被引:97
作者
Marquis, EA
Seidman, DN
Asta, M
Woodward, C
Ozolins, V
机构
[1] USAF, Res Lab, Mat & Mfg Directorate, Wright Patterson AFB, OH 45433 USA
[2] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA
[3] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA
关键词
D O I
10.1103/PhysRevLett.91.036101
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Microscopic factors governing solute partitioning in ternary two-phase Al-Sc-Mg alloys are investigated combining three-dimensional-atom-probe (3DAP) miscroscopy measurements with first-principles computations. 3DAP is employed to measure composition profiles with subnanometer-scale resolution, leading to the identification of a large enhancement of Mg solute at the coherent alpha-Al/Al3Sc (fcc/L1(2)) heterophase interface. First-principles calculations establish an equilibrium driving force for this interfacial segregation reflecting the nature of the interatomic interactions.
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共 22 条
[11]   ABINITIO MOLECULAR-DYNAMICS FOR LIQUID-METALS [J].
KRESSE, G ;
HAFNER, J .
PHYSICAL REVIEW B, 1993, 47 (01) :558-561
[12]   Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set [J].
Kresse, G ;
Furthmuller, J .
COMPUTATIONAL MATERIALS SCIENCE, 1996, 6 (01) :15-50
[13]   Ostwald ripening in ternary alloys [J].
Kuehmann, CJ ;
Voorhees, PW .
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 1996, 27 (04) :937-943
[14]   Nanoscale structural evolution of Al3Sc precipitates in Al(Sc) alloys [J].
Marquis, EA ;
Seidman, DN .
ACTA MATERIALIA, 2001, 49 (11) :1909-1919
[15]  
MARQUIS EA, 2002, THESIS NW U
[16]   First-principles interatomic potentials for transition-metal aluminides: Theory and trends across the 3d series [J].
Moriarty, JA ;
Widom, M .
PHYSICAL REVIEW B, 1997, 56 (13) :7905-7917
[17]   Precipitation of Al3Sc in binary Al-Sc alloys [J].
Novotny, GM ;
Ardell, AJ .
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2001, 318 (1-2) :144-154
[18]   Large vibrational effects upon calculated phase boundaries in Al-Sc [J].
Ozolins, V ;
Asta, M .
PHYSICAL REVIEW LETTERS, 2001, 86 (03) :448-451
[19]   TRACER DIFFUSION OF MAGNESIUM IN ALUMINUM SINGLE-CRYSTALS [J].
ROTHMAN, SJ ;
PETERSON, NL ;
NOWICKI, LJ ;
ROBINSON, LC .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1974, 63 (01) :K29-K33
[20]   Trajectory overlaps and local magnification in three-dimensional atom probe [J].
Vurpillot, F ;
Bostel, A ;
Blavette, D .
APPLIED PHYSICS LETTERS, 2000, 76 (21) :3127-3129