Miedema's semi-empirical calculation for enthalpy of alloys
Binary system:
Solute Ag Al As Au B Ba Be Bi C Ca Cd Ce4+ Ce3+ Co Cr Cs Cu Dy Er Eu2+ Eu3+ Fe Ga Gd Ge H Hf Hg Ho In Ir K La Li Lu Mg Mn Mo N Na Nb Nd Ni Os P Pb Pd Pm Pr Pt Pu Rb Re Rh Ru Sb Sc Si Sm Sn Sr Ta Tb Tc Th Ti Tl Tm U V W Y Yb2+ Yb3+ Zn Zr mole Solvent Ag Al As Au B Ba Be Bi C Ca Cd Ce4+ Ce3+ Co Cr Cs Cu Dy Er Eu2+ Eu3+ Fe Ga Gd Ge H Hf Hg Ho In Ir K La Li Lu Mg Mn Mo N Na Nb Nd Ni Os P Pb Pd Pm Pr Pt Pu Rb Re Rh Ru Sb Sc Si Sm Sn Sr Ta Tb Tc Th Ti Tl Tm U V W Y Yb2+ Yb3+ Zn Zr mole
Interfacial energy:
binary alloy delta H = kJ/mole
Ternary system:
Element A Ag Al As Au B Ba Be Bi C Ca Cd Ce4+ Ce3+ Co Cr Cs Cu Dy Er Eu2+ Eu3+ Fe Ga Gd Ge H Hf Hg Ho In Ir K La Li Lu Mg Mn Mo N Na Nb Nd Ni Os P Pb Pd Pm Pr Pt Pu Rb Re Rh Ru Sb Sc Si Sm Sn Sr Ta Tb Tc Th Ti Tl Tm U V W Y Yb2+ Yb3+ Zn Zr mole Element B Ag Al As Au B Ba Be Bi C Ca Cd Ce4+ Ce3+ Co Cr Cs Cu Dy Er Eu2+ Eu3+ Fe Ga Gd Ge H Hf Hg Ho In Ir K La Li Lu Mg Mn Mo N Na Nb Nd Ni Os P Pb Pd Pm Pr Pt Pu Rb Re Rh Ru Sb Sc Si Sm Sn Sr Ta Tb Tc Th Ti Tl Tm U V W Y Yb2+ Yb3+ Zn Zr mole Element C Ag Al As Au B Ba Be Bi C Ca Cd Ce4+ Ce3+ Co Cr Cs Cu Dy Er Eu2+ Eu3+ Fe Ga Gd Ge H Hf Hg Ho In Ir K La Li Lu Mg Mn Mo N Na Nb Nd Ni Os P Pb Pd Pm Pr Pt Pu Rb Re Rh Ru Sb Sc Si Sm Sn Sr Ta Tb Tc Th Ti Tl Tm U V W Y Yb2+ Yb3+ Zn Zr mole
Interfacial energy: A (solute) in B (solvent) :
A (solute) in C (solvent) :
B (solute) in C (solvent) :
ternary alloy delta H = kJ/mole
Empirical approximation of ternary alloy enthalpy from three binary alloy enthalpies
formation enthalpy of A-B = kJ/mole Amount : A= mole
B-C = kJ/mole B= mole
A-C = kJ/mole C= mole
formation enthalpy of A-B-C = kJ/mole (Toop's method 1965)
kJ/mole (Kohler's method 1960)
kJ/mole (bonnier's method)
Black Color ----- Solvent element
Blue Color -------- Solute element
Interfacial energy can be obtained by this Table which X-Axis is Solvent and Y-axis is Solute.
Any suggestion, comments, bug reports, please sent to ning@mmae.iit.edu