Contribution of a hard-spheres packing model to the determination of binary alloy phase diagrams

Attempts to explain the stoichiometrics of intermetallic compounds in binary phase diagrams are described. The model presented yields compound compositions which are simple rational numbers and is expected to be useful for work on intermetallic phase diagrams. The occurrence of compounds in 10 binary systems (Si-Hf, Co-Y, Hg-Sr, Rh-Gd, Au-Sm, Hg-Ca, Pt-In, Au-In, Fe-Al, and Pd-Ti) is compared with the results of the calculations. It is concluded that a considerable number of compounds occurring in these systems is justified by the proposed hard-spheres packing condition. The dependence of the efficiency of the method on the radius ratio and on the compound components is indicated.

[1]  K. W. Bagnall,et al.  Some oxygen-donor complexes of cyclopentadienyluranium(IV)N-thiocyanate; steric considerations and stability , 1982 .

[2]  D. Williams A model for coordination in random close packing , 1984 .

[3]  A. Miedema,et al.  On the heat of formation of solid alloys , 1975 .

[4]  A. Miedema On the heat of formation of solid alloys. II , 1976 .

[5]  D. Pettifor,et al.  The structures of binary compounds. I. Phenomenological structure maps , 1986 .

[6]  J. D. Bernal,et al.  The Bakerian Lecture, 1962 The structure of liquids , 1964, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.

[7]  G. D. Scott,et al.  The radial distributions of a binary mixture of spheres , 1973 .

[8]  E. Lobkovsky Steric factor dependence of the structures of certain Cp-containing compounds , 1984 .

[9]  S. Cornell,et al.  Dense Random Packing of Binary Mixtures of Spheres , 1965, Nature.

[10]  B. Coles,et al.  The Y-Co system: a partial phase diagram study , 1982 .

[11]  P. Guex,et al.  Les systèmes binaires platine-aluminium, platinegallium et platine-indium , 1976 .

[12]  L. Azároff Introduction to Solids. , 1960 .

[13]  Alex Zunger,et al.  Systematization of the stable crystal structure of all AB-type binary compounds: A pseudopotential orbital-radii approach , 1980 .

[14]  K. W. Bagnall,et al.  Some complexes of cyclopentadienyl thorium (IV) and uranium (IV) chlorides and uranium (IV) N-thiocyanate with neutral donor ligands , 1984 .

[15]  A. Palenzona,et al.  Chapter 13 Crystal chemistry of intermetallic compounds , 1979 .

[16]  C. Lemaignan Hard spheres simulation of the size effect in liquid and amorphous metallic alloys , 1980 .

[17]  E. Parthé Space filling of crystal structures A contribution to the graphical presentation of geometrical relationships in simple crystal structures , 1961 .

[18]  Analysis of the stability of intermetallic compounds with the pseudo-atom model: Application to selected rare earth-transition metal binary systems☆ , 1985 .

[19]  G. Bruzzone,et al.  The strontium-mercury system , 1974 .

[20]  J. Burdett Electronic influences on the crystal chemistry of transition metal-main group MX and MX2 compounds , 1982 .

[21]  K. W. Bagnall,et al.  Diphenylacetamide and dicyclohexylacetamide complexes of thorium(IV) and uranium(IV) N-thiocyanates , 1984 .

[22]  Takeshi Egami,et al.  Atomic size effect on the formability of metallic glasses , 1984 .

[23]  M. Hansen,et al.  Constitution of binary alloys, first supplement , 1965 .

[24]  P. Villars,et al.  Three-dimensional structural stability diagrams for 648 binary AB3 and 389 binary A3B5 intermetallic compounds: III , 1984 .

[25]  E. Raub,et al.  Das system gadolinium-rhodium und legierungen des rhodiums mit anderen lanthaniden , 1976 .

[26]  A. Raman Crystal structure of Ce5Rh4 and analogous phases , 1976 .

[27]  H. Ehrenreich,et al.  Theory of alloy phases , 1977 .

[28]  R. Fischer,et al.  The “solid angle sum rule”: A new ligand cone packing model of optimal applicability in organolanthanoid chemistry, part I , 1985 .

[29]  I. Z. Rahman,et al.  Y-Co alloys: Magnetic identification of a Y5Co19 phase , 1982 .