Alloy Phase StabilityG.M. Stocks, A. Gonis One of the ultimate goals of materials research is to develop a fun damental and predictive understanding of the physical and metallurgical properties of metals and alloys. Such an understanding can then be used in the design of materials having novel properties or combinations of proper ties designed to meet specific engineering applications. The development of new and useful alloy systems and the elucidation of their properties are the domain of metallurgy. Traditionally, the search for new alloy systems has been conducted largely on a trial and error basis, guided by the skill and intuition of the metallurgist, large volumes of experimental data, the principles of 19th century thermodynamics and ad hoc semi-phenomenological models. Recently, the situation has begun to change. For the first time, it is possible to understand the underlying mechanisms that control the formation of alloys and determine their properties. Today theory can begin to offer guidance in predicting the properties of alloys and in developing new alloy systems. Historically, attempts directed toward understanding phase stability and phase transitions have proceeded along distinct and seemingly diverse lines. Roughly, we can divide these approaches into the following broad categories. 1. Experimental determination of phase diagrams and related properties, 2. Thermodynamic/statistical mechanical approaches based on semi phenomenological models, and 3. Ab initio quantum mechanical methods. Metallurgists have traditionally concentrated their efforts in cate gories 1 and 2, while theoretical physicists have been preoccupied with 2 and 3. |
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Page 360
... selfconsistent generalized CBLA ( open circles ) . In figures 2a , 2b and 3a , 3b we present the computed electron DOS within the non - self - consistent and self - consistent schemes of the generalized CBLA discussed above . The most ...
... selfconsistent generalized CBLA ( open circles ) . In figures 2a , 2b and 3a , 3b we present the computed electron DOS within the non - self - consistent and self - consistent schemes of the generalized CBLA discussed above . The most ...
Page 441
... self - consistent KKR - CPA calculation was performed by Stocks and Winter ( 40 ) . A variety of interesting applications of the method are described in their review article ( 31 ) . However , the above homogeneous self - consistent KKR ...
... self - consistent KKR - CPA calculation was performed by Stocks and Winter ( 40 ) . A variety of interesting applications of the method are described in their review article ( 31 ) . However , the above homogeneous self - consistent KKR ...
Page 444
... self- consistent KKR - CPA to convergence in the partially averaged charge den- sities ña ( r ) ( α = A , B ) and the average interstitial charge density n 。 the configurationally average total energy can be calculated with relatively ...
... self- consistent KKR - CPA to convergence in the partially averaged charge den- sities ña ( r ) ( α = A , B ) and the average interstitial charge density n 。 the configurationally average total energy can be calculated with relatively ...
Contents
Mechanical Properties and Phase Stability of L1 NiAl Ternary | 23 |
Electron Microscopy of Ordering in Alloys | 75 |
Quantitative Statistical Description of the Long Period Antiphase | 101 |
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Common terms and phrases
1989 by Kluwer Acta Alloy Phase Stability alloys ANNNI model antiphase approximation atoms average band structure binary bond boundaries calculations charge density coex composition concentration configuration contribution corresponding crystal structure cubic curve defects dependence diffraction diffuse domain Ducastelle effects elastic energy electronic structure entropy equation equilibrium experimental Fermi energy Fermi surface ferromagnetic FIGURE finite fluctuations free energy G. M. Stocks Gonis eds grand potential Green function impurity intermetallics Ising model KKR-CPA Lett magnetic martensitic matrix mean field theory mechanical method microscopic modulated observed obtained ordered phase pair interactions parameters peak perturbation phase diagram phase separation phonon photoemission Phys plane potential scattering self-consistent shown in Fig shows solid solution spectral function spin spinodal spinodal decomposition sublattice symmetry transformation transition metal unit cell V₁ valence values vector wave