Atomic ordering characteristics of Ni3Al intermetallics with substitutional ternary additions

The effects of substitutional ternary additions of Me = Zn, Ti, Si, Cr, Mn, Mo, W, Nb, Ta, V, Hf, or Zr on the energetical and structural characteristics of atomic short-range ordering (SRO) of Ni-3(Al(1-x)Me(x)) intermetallics with L1(2) type ordered structure have been analysed by combining the statistical theory of ordering with the electronic theory of alloys in pseudopotential approximation. The partial ordering energies and pairwise SRO parameters were calculated by taking into account the influence of the first three coordination spheres. The results of calculation show that the atoms of Zn, Ti, Si, Mo or V elements substitute mainly for Al sublattice sites, whereas W, Nb, Ta, Hf, or Zr clement atoms substitute preferentially for the Ni sublattice sites and Cr or Mn element atoms tend to substitute for both Ni and Al sublattice sites. These theoretical results are in a good qualitative agreement with experimental observations for most of the third component Me elements. Copyright (C) 1997 Acta Metallurgica Inc.


Molecular dynamics study of random and ordered metals and metal alloys
Kart, Hasan Hüseyin; Tomak, Mehmet; Department of Physics (2004)
The solid, liquid, and solidification properties of Pd, Ag pure metals and especially PdxAg1-x alloys are studied by using the molecular dynamics simulation. The effects of temperature and concentration on the physical properties of PdxÞAg1-x are analyzed. Sutton-Chen (SC) and Quantum Sutton-Chen (Q-SC) many-body potentials are used as interatomic interactions which enable one to investigate the thermodynamic, static, and dynamical properties of transition metals. The simulation results such as cohesive ene...
Microstructural Investigation and Phase Relationships of Fe-Al-Hf Alloys
Yildirim, Mehmet; Akdeniz, Mahmut Vedat; Mehrabov, Amdulla (Springer Science and Business Media LLC, 2014-4-2)
The effect of Hf addition on microstructures, phase relationships, microhardness, and magnetic properties of Fe50Al50-n Hf (n) alloys for n = 1, 3, 5, 7, and 9 at. pct has been investigated. At all investigated compositions, the ternary intermetallic HfFe6Al6 tau (1) phase forms due to the limited solid solubility of Hf in FeAl phase and tends to develop a eutectic phase mixture with the Fe-Al-based phase. The Hf concentration of the eutectic composition is found to be 7 at. pct from the microstructural exa...
TAS, AC; AKINC, M (Wiley, 1994-11-01)
The 1:1 compound, CeAlO3, in the system Ce2O3-Al2O3 has been synthesized from the oxides and shown to have a perovskite-like tetragonal unit cell with the lattice parameters a = 3.763 and c = 3.792 Angstrom. A new XRD pattern is suggested for CeAlO3. This compound is shown to be stable up to 1950 degrees C. The 1:11 compound, CeAl11O18, has also been synthesized and shown to possess a magnetoplumbite-like hexagonal unit cell with the lattice parameters a = 5.558 and c = 22.012 Angstrom. An XRD pattern is su...
Atomic chains and lattice vibration characteristics in A2IIIB3VI compounds with tetrahedral coordination of atoms
Hasanlı, Nızamı; Khomutova, M.D. (Springer Science and Business Media LLC, 1977-04-01)
On the basis of the presence of atomic chains in A2 IIIB3 VI compounds having zincblende defect structure, a linear-chain model is used to calculate the lattice vibration frequencies. The agreement of the calculated and experimental frequencies is an indication of the applicability of the model and enables one to determine the motion of various atoms during the corresponding vibrations.
Electronic, mechanical and lattice dynamical properties of YXB4 (X = Cr, Mn, Fe, and Co) compounds
CANDAN, ABDULLAH; SÜRÜCÜ, GÖKHAN; Gencer, Ayşenur (IOP Publishing, 2019-12-01)
In this study, the physical such as structural, electronic, anisotropic elastic and lattice dynamic properties of YXB4 (X = Cr, Mn, Fe and Co) compounds have been investigated. The electronic properties including band structure and corresponding partial density of states for YXB4 have been calculated. YFeB4 and YCoB4 compounds are found to have metallic behavior while YCrB4 and YMnB4 have semiconductor behavior. Also, the compounds are found to be as non-magnetic materials. The calculated elastic constants ...
Citation Formats
A. Mehrabov and M. V. Akdeniz, “Atomic ordering characteristics of Ni3Al intermetallics with substitutional ternary additions,” ACTA MATERIALIA, pp. 1077–1083, 1997, Accessed: 00, 2020. [Online]. Available: