arXiv subjects

P. E. A. Turchi

Publications and source records attributed to P. E. A. Turchi.

4 recordsLinked to original sources

arXiv2017

Prediction of a new efficient permanent magnet SmCoNiFe3

We propose a new efficient permanent magnet, SmCoNiFe3, that is a breakthrough development of the well-known SmCo5 prototype. More modern neodymium magnets of the Nd-Fe-B type have an advantage over SmCo5 because of their greater maximum energy products due to their iron-rich stoichiometry. Our new magnet, however, removes most of this disadvantage of SmCo5 while preserving its superior high-temperature efficiency over the neodymium magnets.

cond-mat.mtrl-sci↗

arXiv2017

Thermodynamics of the SmCo5 compound doped with Fe and Ni: an ab initio study

SmCo5 permanent magnets exhibit enormous uniaxial magnetocrystalline anisotropy energy and have a high Curie temperature. However, a low energy product presents a significant drawback in the performance of SmCo5 permanent magnets. In order to increase the energy product in SmCo5, we propose substituting fixed amount of cobalt with iron in a new magnet, SmFe3CoNi, where inclusion of nickel metal makes this magnet thermodynamically stable. We further discuss some basic theoretical magnetic properties of the SmCo5 compound.

cond-mat.mtrl-sci↗

arXiv2013

Phase transformation B1 to B2 in TiC, TiN, ZrC and ZrN under pressure

Phase stability of various phases of MX (M = Ti, Zr; X = C, N) at equilibrium and under pressure is examined based on first-principles calculations of the electronic and phonon structures. The results reveal that all B1 (NaCl-type) MX structures undergo a phase transition to the B2-structures under high pressure in agreement with the previous total-energy calculations. The B1-MX structures are dynamically stable under very high pressure (210-570 GPa). The pressure-induced B2 (CsCl-type) MC phases are dynamically unstable even at high pressures, and TiN and ZrN are found to crystallize with the B2-structure only at pressures above 55 GPa. The first-order B1-to-B2 phase transition in these nitrides is not related to the softening of phonon modes, and the dynamical instability of B2-MX is associated with a high density of states at the Fermi level.

cond-mat.mtrl-sci↗

arXiv2002

Studies of Vibrational Properties in Ga Stabilized d-Pu by Extended X-ray Absorption Fine Structure

Temperature dependent extended x-ray absorption fine structure (EXAFS) spectra were measured for a 3.3 at% Ga stabilized Pu alloy over the range T= 20 - 300 K at both the Ga K-edge and the Pu L_III-edge. The temperature dependence of the pair-distance distribution widths, σ(T) was accurately modeled using a correlated-Debye model for the lattice vibrational properties, suggesting Debye-like behavior in this material. We obtain pair- specific correlated-Debye temperatures, Θ_cD, of 110.7 +/- 1.7 K and 202.6 +/- 3.7 K, for the Pu-Pu and Ga-Pu pairs, respectively. These results represent the first unambiguous determination of Ga-specific vibrational properties in PuGa alloys, and indicate the Ga-Pu bonds are significantly stronger than the Pu-Pu bonds. This effect has important implications for lattice stabilization mechanisms in these alloys.

cond-mat.str-el↗