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 24
... temperature slowly , especially in the vicinity of the crystallization temperature ; the reduction of the temperature confines the system to a smaller and smaller region of the configuration space but , if carried out slowly enough ...
... temperature slowly , especially in the vicinity of the crystallization temperature ; the reduction of the temperature confines the system to a smaller and smaller region of the configuration space but , if carried out slowly enough ...
Page 27
... temperature is then calculated as : To = k . ( < E2 > - < E > 2 ) 1 / 2 Το where k is computed [ 5.7 ] assuming a normal cost distribution at high temperature . If To is chosen such that a configuration whose cost is 30 worse than the ...
... temperature is then calculated as : To = k . ( < E2 > - < E > 2 ) 1 / 2 Το where k is computed [ 5.7 ] assuming a normal cost distribution at high temperature . If To is chosen such that a configuration whose cost is 30 worse than the ...
Page 30
... Temperature plots often show similar curves which , in the high temperature regime , can be approximated [ 5.1 ] as < E ( T ) > ≈ < E ( ∞ ) > - σ2 ( T ) / T where 。2 ( T ) = < E2 ( T ) > - < E ( T ) > 2 is the variance of the cost ...
... Temperature plots often show similar curves which , in the high temperature regime , can be approximated [ 5.1 ] as < E ( T ) > ≈ < E ( ∞ ) > - σ2 ( T ) / T where 。2 ( T ) = < E2 ( T ) > - < E ( T ) > 2 is the variance of the cost ...
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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