Neutron Scattering Data Analysis 1990, Proceedings of the Conference on Neutron Scattering, 14-16 March 1990, Rutherford Appleton Laboratory, UKM. W. Johnson |
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Page 115
... atom projects onto the upper corner whereas the Cu ( 1 ) , Cu ( 2 ) and O ( 1 ) atoms project onto the lower corner . O ( 2 ) , O ( 3 ) , O ( 4 ) atoms project onto the side corners . The truncation effects mentioned above preclude from ...
... atom projects onto the upper corner whereas the Cu ( 1 ) , Cu ( 2 ) and O ( 1 ) atoms project onto the lower corner . O ( 2 ) , O ( 3 ) , O ( 4 ) atoms project onto the side corners . The truncation effects mentioned above preclude from ...
Page 168
... atom number density and no ( r ) is the number of atoms at a distance between r and r + dr from a central atom , averaged over all atoms as centres . Transform to Calculate AC ( Q ) - 1 = p / 4πr2 ( gc ( r ) - 1 ) 2 - m sin Qr Qr x2 = Σ ...
... atom number density and no ( r ) is the number of atoms at a distance between r and r + dr from a central atom , averaged over all atoms as centres . Transform to Calculate AC ( Q ) - 1 = p / 4πr2 ( gc ( r ) - 1 ) 2 - m sin Qr Qr x2 = Σ ...
Page 195
... atom j at time t . The summations j and j ' are taken respectively over the N or Ny atoms of elements I and l ' , excluding possible terms where j and j ' refer to the same atom . ( G ( r , t ) is a Van Hove ( 1954 ) correlation ...
... atom j at time t . The summations j and j ' are taken respectively over the N or Ny atoms of elements I and l ' , excluding possible terms where j and j ' refer to the same atom . ( G ( r , t ) is a Van Hove ( 1954 ) correlation ...
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additional algorithm allows analysis angle applications approach atoms average beam Bragg calculated cell combinatorial optimization configuration constant coordinates correction corresponding cost counts cross-section crystal deconvolution defined density dependent described detector determined diffraction direct display distribution effects elastic scattering energy error estimate example experiment experimental Figure final Fourier function give given inelastic intensity ISIS known limit magnetic Maximum Entropy measured method neutron neutron scattering normalization obtained optimization parameters particular peak performed Phys physical plot positive possible powder presented prior probability problem procedure radial distribution functions range reconstruction References refinement reflections resolution sample scale scan shown shows simulated annealing single solution space spectrum standard statistical structure factor temperature transfer transform unit usually vanadium vector wavelength