Neutrons in Disordered Matter: Proceedings Euroconference '94 : Stockholm, Sweden, 9-13 June, 1994Monique Dahlborg, Ulf Dahlborg |
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Page 67
... lattice is respectively of 3.9 and 10.8 mRy per atom ) . In good agreement with experimental phase diagram both bcc and hcp TiZr and TiV have positive heats of formation ( see Table I ) . The computed total energy for Ti - Zr systems ...
... lattice is respectively of 3.9 and 10.8 mRy per atom ) . In good agreement with experimental phase diagram both bcc and hcp TiZr and TiV have positive heats of formation ( see Table I ) . The computed total energy for Ti - Zr systems ...
Page 92
... lattice constant a = 5.386 a.u. and a = 5.396 a.u. , while the computed bulk modulus are B = 2.4 Mbar and B = 2.3 Mbar . The E ( M ) curves define the magnetic energy and have been obtained at a fixed lattice ( a = 5.4 a.u. ) near the ...
... lattice constant a = 5.386 a.u. and a = 5.396 a.u. , while the computed bulk modulus are B = 2.4 Mbar and B = 2.3 Mbar . The E ( M ) curves define the magnetic energy and have been obtained at a fixed lattice ( a = 5.4 a.u. ) near the ...
Page 93
... lattice which affects also the bulk properties and the local electronic structure . Increasing the e / a ratio from 8.5 to 9 ( pure Co ) the magnetic moment of the fcc lattice becomes more stable and the AM .. , is also critically ...
... lattice which affects also the bulk properties and the local electronic structure . Increasing the e / a ratio from 8.5 to 9 ( pure Co ) the magnetic moment of the fcc lattice becomes more stable and the AM .. , is also critically ...
Common terms and phrases
Ź alloys amorphous analysis atoms behaviour binary bond angle bond length calculated carbon black chain Chem clusters configuration contribution coordination number correlation functions corresponding Cryst crystal crystalline curves determined diffraction data diffuse scattering disorder distances distribution function doped dynamics EISF elastic electronic energy EXAFS experimental data experiments fractal graphite hydration hydrogen ice Ih intensity interaction interatomic lattice layer liquid Me-O measured melt metallic glasses metalloid method molecular molecules neighbours neutron diffraction neutron scattering Ni-Nb Ni-Ni observed obtained oxygen pair correlation functions partial structure factors peak phase photons Phys Physica Scripta Physics polymer potential Q range Qmax radial distribution function Reverse Monte Carlo Rietveld refinement RMC model rotation sample scat scattering length short range order shown simulation solid structural parameters structure factor surface surfactant symmetry Table temperature tering tion titanium dioxide total structure factor X-ray