Neutrons in Disordered Matter: Proceedings Euroconference '94 : Stockholm, Sweden, 9-13 June, 1994Monique Dahlborg, Ulf Dahlborg |
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Page 157
... model con- taining 100 units and energy minimized , ( iii ) model containing 200 units and energy mini- mized , ( iv ) 100 unit model RMC optimized , ( v ) 200 unit model RMC optimized Fig . 16. S ( Q ) for RMC 100. ( 0 ) S MODEL EXPT 0 ...
... model con- taining 100 units and energy minimized , ( iii ) model containing 200 units and energy mini- mized , ( iv ) 100 unit model RMC optimized , ( v ) 200 unit model RMC optimized Fig . 16. S ( Q ) for RMC 100. ( 0 ) S MODEL EXPT 0 ...
Page 158
... model for RMC study - 100 unit model packed in cell of side 24.086 Å and energy minimised for 1000 steps . which had been energy minimised over 1000 steps using a Newton - Raphson algorithm . The RMC atom movements were restricted using ...
... model for RMC study - 100 unit model packed in cell of side 24.086 Å and energy minimised for 1000 steps . which had been energy minimised over 1000 steps using a Newton - Raphson algorithm . The RMC atom movements were restricted using ...
Page 159
... RMC 100 unit a - PMMA model after 60 cpu hours using unequal skeletal bond angles yield curved chain segments . The ... model as the starting model and the constraints shown in Table III ( C ) a considerably smaller x2 was achieved ...
... RMC 100 unit a - PMMA model after 60 cpu hours using unequal skeletal bond angles yield curved chain segments . The ... model as the starting model and the constraints shown in Table III ( C ) a considerably smaller x2 was achieved ...
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