Radiation induced segregation (RIS) has been frequently reported in structural materials such as austenitic, ferritic, and ferritic-martensitic stainless steels (SS) that have been widely used in light water reactors (LWRs). RIS has been linked to secondary degradation effects in SS including irradiation induced stress corrosion cracking (IASCC). Earlier studies on thermal segregation in Fe based alloys found that metalloids elements such as P, S, Si, Ge, Sn etc. embrittle the materials when enrichment was observed at grain boundaries (GBs). RIS of Fe-Cr-Ni based austenitic steels has been modeled in the U.S. 2015 fiscal year (FY2015), which identified the pre-enrichment due to thermal segregation can have an important role on the subsequent RIS. The goal of this work is to develop thermal segregation models for alloying elements in steels for future integration with RIS modeling.Thermal segregation and RIS of P in α iron and various steels has been extensively studied and therefore has been chosen as the first element to study. The current approach integrated computational thermodynamics with GB segregation modeling to study thermal equilibrium segregation of solute atoms in α iron in Fe-P, Fe-C-P and Fe-M-P and Fe-M-C-P (M=Cr, Mn, Ni, Mo, Nb, Ti) alloys. The following factors were considered during the modeling: effect of M on the solubility of P in α_Fe; the chemical interaction between Fe-M and M-P; the competition between C and P of GB sites; effect of M on the solubility of C in α_Fe; combined effect of C and M on the P segregation. The major outcomes from this work are:1) Multicomponent thermodynamic database of Fe-M-C-P (M=Cr, Mn, Ni, Mo, Nb, Ti) has been compiled and developed based on critically assessed literature data. This database provided major thermodynamic inputs for thermal GB segregation model.2) The McLean equation was used to describe the GB segregation of an ideal solid solution, and the Guttmann's equation was used to describe the GB segregation of non-ideal solid solution of multicomponent alloys.3) For different alloying additions (M=Cr, Mn, Ni, Mo, Nb, Ti), the solubility of P in α_Fe was systematically evaluated, and the solid solution behavior of Fe-M and M-P was also assessed to provide guidance on the selection of GB segregation model.4) Among the six alloying elements (M=Cr, Mn, Ni, Mo, Nb, Ti), Mn and Ni do not affect the P segregation. The currently used intrinsic segregation energy of Mn and Ni suggests that they do not segregate at GBs. Cr and Mo do not affect the segregation of P either, however, unlike Mn and Ni, they will enrich at GBs due to positive or repulsive interaction with the matrix Fe atoms. Nb and Ti greatly reduces the P segregation due to the very strong scavenging effect. The remaining Nb and Ti in α_Fe are so small that they were not included in GB segregation modeling.5) C strongly affects the P segregation, by competing with P for GB sites. Additions of alloying elements such Cr, Ni, Mn, Mo, Nb and Ti, on one hand, can scavenge the C atoms in solid solution b...