Hume-Rothery rules for structurally complex alloy phases / Uichiro Mizutani
- Author
- Mizutani, U.
- Published
- Boca Raton, FL : CRC Press, [2011]
- Copyright Date
- ©2011
- Physical Description
- xiii, 342 pages : illustrations ; 24 cm
- Contents
- INTRODUCTION: What is the definition of the Hume Rothery rules -- Historical survey of chemistry and metallurgy -- Historical survey of crystallography -- Historical survey of physics -- CHEMICAL BONDING AND PHASE DIAGRAMS IN ALLOY PHASE STABILITY: Cohesive energy of a solid -- Free energy of formation and enthalpy of formation -- Kinetic energy of electrons and the role of the pseudogap -- EARLY THEORIES OF ALLOY PHASE STABILITY: Mott Jones model for alpha beta and gamma brasses -- The model of Jones I -- The model of Jones II -- FIRST PRINCIPLES BAND CALCULATIONS USING THE MUFFIN TIN POTENTIAL: First principles band calculations versus the Hume Rothery electron concentration rule -- Origin of the pseudogap orbital hybridizations versus FsBz interactions -- What are first principles band calculations -- All electron band calculations within the muffin tin approximation -- Wave functions inside and outside the mt sphere -- Orthogonality condition with core electron states -- KKR ASA equation -- Linearization method -- LMTO ASA method -- Extraction of spd d orbital hybridizations in the LMTO ASA method -- APW Method -- LAPW method -- HUME ROTHERY ELECTRON CONCENTRATION RULE CONCERNING THE ALPHA BETA PHASE TRANSFORMATION IN CU-X X= Zn, Ga, Ge, etc. ALLOY SYSTEMS: Stable FCC-Cu versus metastable BCC-Cu -- First principles band calculations for FCC and BCC-Cu in literature -- FLAPW electronic structure calculations for FCC- and BCC-Cu -- Total energy and valence band structure energy -- Dos for FCC and BCC Cu -- Relative stability of the alpha and beta phases in Cu-X X = Zn, Ga, Ge, etc. alloy systems -- STRUCTURE OF STRUCTURALLY COMPLEX METALLIC ALLOYS: What are structurally complex alloys -- Gamma brasses -- 1/1-1/1-1/1 Approximants -- and STABILIZATION MECHANISM OF GAMMA BRASSES CHARACTERIZED BY A FsBz INDUCED PSEUDOGAP: Stabilization mechanism driven by a FsBz induced pseudogap -- FLAPW band calculations for Cu5Zn8 and Cu9Al4 gamma brasses -- Extraction of the FsBz interaction at the symmetry points n of the brillouin zone -- The Hume Rothery stabilization mechanism for Cu5Zn8 and Cu9Al4 gamma brasses -- e/a dependent physical properties of noble metal alloys -- Cu-Zn and Cu-Cd gamma brasses in solid solution ranges -- Cu-Al and Cu-Ga gamma brasses in solid solution ranges -- STABILIZATION MECHANISM OF GAMMA BRASSES CHARACTERIZED BY INCREASING ORBITAL HYBRIDIZATIONS ROLE OF D STATES MEDIATED FsBz INTERACTIONS: Gamma brasses in group II -- TM-Zn TM = Ni, Pd, Co, and Fe gamma brasses -- AL8V5 gamma brass -- Ag-Li gamma brass -- Ni-Zn and Co-Zn gamma brasses in solid solution ranges -- STABILIZATION MECHANISM OF 1/1-1/1-1/1 APPROXIMANTS: Electronic structure of 1/1-1/1-1/1 approximants -- Al-Mg-Zn 1/1-1/1-1/1 approximant -- Al-Li-Cu 1/1-1/1-1/1 approximant -- Al-Cu-TM-Si TM =Fe or Ru 1/1-1/1-1/1 APPROXIMANTS -- Al-Re-Si 1/1-1/1-1/1 approximant -- Role of vacancies to maintain a constant e/uc in the 1/1-1/1-1/1 approximants -- THE INTERPLAY AND CONTRASTS INVOLVED IN THE CHEMISTRY PHYSICS AND CRYSTAL STRUCTURES OF ALLOYS AND COMPOUNDS: e/a OR VEC as an electron concentration parameter -- Existing proposals on e/a for the transition metal element -- Hume Rothery plot for the B2 compounds -- e/a TM value for the transition metal element in the periodic table -- Physics behind the matching condition -- Universal test of the matching condition -- Orbital hybridizations versus FsBz interactions -- Roles of VEC and e/a in designing new CMAS.
- Subject(s)
- ISBN
- 9781420090581 (hardcover : alk. paper)
1420090585 (hardcover : alk. paper) - Bibliography Note
- Includes bibliographical references and index.
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