2010/01/08 by S. M. Dubiel, S.M. Dubiel, J. Cieślak +8 · 2 citations
Engineering · Materials Science · Mathematics · Physics and Astronomy · #Algorithm #High Temperature Alloys and Creep #Mathematics #Metal Alloys Wear and Properties #Microstructure and Mechanical Properties of Steels #cond-mat.mtrl-sci #cond-mat.other
paper · pdf · doi:10.1103/physrevlett.104.155503
published as Phys. Rev. Letters, 104 (2010) 155503 · 4 pages, 3 figures
arxiv created 2010/01/08 · openalex publication_date 2010/04/16 · arxiv updated 2015/05/14 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
Experimental and theoretical studies, of the Fe-partial phonon density of states (PDOS) for Fe52.5Cr47.5 alloy having alpha and sigma phases were carried out. The former using the nuclear resonant inelastic x-ray scattering method, and the latter with the direct one. Characteristic features of PDOS, which distinguish one phase from the other, were revealed and successfully reproduced by the theory. Data pertinent to the dynamics such as the Lamb-Mössbauer factor, f, the kinetic energy per atom, E(k), and the mean force constant, D, were directly derived, while vibrational specific heat at constant volume, C(V), and vibrational entropy, S were calculated using the Fe partial PDOS. Based on the values of f and C(V), we determined Debye temperatures, Theta(D). An excellent agreement for some quantities derived from experiment and first-principles theory, like C(V) and quite good ones for others like D and S were obtained.