Anomalous temperature dependence of elastic constant c44 in V, Nb, Ta, Pd, and Pt
نویسندگان
چکیده
منابع مشابه
First-principles calculation of phase equilibrium of V-Nb, V-Ta, and Nb-Ta alloys
In this paper, we report the calculated phase diagrams of V-Nb, V-Ta, and Nb-Ta alloys computed by combining the total energies of 40–50 configurations for each system (obtained using density functional theory) with the cluster expansion and Monte Carlo techniques. For V-Nb alloys, the phase diagram computed with conventional cluster expansion shows a miscibility gap with consolute temperature ...
متن کاملTemperature dependence of I-V characteristics of C60 molecule
Making use of a generalized Green’s function technique and Landauer formalism, the temperature depended current-voltage (I-V) characteristics of C60 molecule, sandwiched between two metallic electrodes are numerically investigated. In addition, the influence of the electron-phonon coupling strength on the electronic properties of the molecule is studied. The I-V characteristics of the molecule ...
متن کاملELASTIC BEHAVIOUR AND LATTICE VIBRATIONS IN bcc V AND Nb
A model is devełoped by extending the generalised form of exponential potential known as extended generalised exponential potential to account for: (a) a realistic realization of interactions in alł separations in general and that of small separations in particular, (b) three-body and electronic effects into the interaction in an alternative and simpler form, (c) a model free from usual fitting...
متن کاملPredictions of the Pt(8)Ti phase in unexpected systems.
The binary A(8)B phase (prototype Pt(8)Ti) has been experimentally observed in 11 systems. A high-throughput search over all the binary transition intermetallics, however, reveals 59 occurrences of the A(8)B phase: Au(8)Zn(dagger), Cd(8)Sc(dagger), Cu(8)Ni(dagger), Cu(8)Zn(dagger), Hg(8)La, Ir(8)Os(dagger), Ir(8)Re, Ir(8)Ru(dagger), Ir(8)Tc, Ir(8)W(dagger), Nb(8)Os(dagger), Nb(8)Rh(dagger), Nb(...
متن کاملSize Dependence of the Elastic Properties of Pd Nanowire: Molecular Dynamics Simulation
The mechanical properties including elastic stiffness constants as well as bulk modulus of Palladium (Pd) nanowire were calculated in the constant temperature and pressure (NPT), ensemble by molecular dynamics (MD) simulation technique. The quantum Sutton-Chen (Q-SC) many-body potential was used to calculate the cohesive energy as well as forces experience by every atoms. The temperature and pr...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Physics and Chemistry of Solids
سال: 2010
ISSN: 0022-3697
DOI: 10.1016/j.jpcs.2010.03.007