Diffraction on GPUs
 PM2K

Welcome to the "Diffraction powder patterns on GPUs" section!
Powder diffraction patterns are computed by the means of the Debye scattering equation [1], without any approximation apart those inherent in the use of floating point math [2].

Only the elastic component of the scattered intensity is considered. Please feel free email us any request.

Select one geometrical particles Select one multiple twinned particles spheres Select one decahedra 50 shells (110,551 atoms) 50 shells, cut 40 on [100] (96,251 atoms) 50 shells, cut 40 on [111] (108,021 atoms) 50 shells, cut 30 on [100] (68,201 atoms) 50 shells, cut 30 on [111] (93,996 atoms) 50 shells, cut 20 on [100] (36,151 atoms) 50 shells, cut 20 on [111] (59,901 atoms) 50 shells, cut 10 on [100] (10,101 atoms) 50 shells, cut 10 on [111] (18,726 atoms) 50 shells, cut 40 on [100], 30 on [111] (88,826 atoms) 50 shells, cut 30 on [100], 20 on [111] (55,776 atoms) 50 shells, cut 20 on [100], 30 on [111] (36,151 atoms) Select one bismuth ferrite gold platinum Select one R3m, 10 nm (15,075 atoms) R3m, 15 nm (50,725 atoms) R3m, 20 nm (120,473 atoms) R3m, 5 nm (1,853 atoms) bismuth ferrite, 10 nm bismuth contribution bismuth/iron contribution bismuth/oxygen contribution iron contribution iron/oxygen contribution oxygen contribution bismuth ferrite, 15 nm bismuth contribution bismuth/iron contribution bismuth/oxygen contribution iron contribution iron/oxygen contribution oxygen contribution bismuth ferrite, 20 nm bismuth contribution bismuth/iron contribution bismuth/oxygen contribution iron contribution iron/oxygen contribution oxygen contribution bismuth ferrite, 5 nm bismuth contribution bismuth/iron contribution bismuth/oxygen contribution iron contribution iron/oxygen contribution oxygen contribution 5 nm (3,884 atoms) 10 nm (31,173 atoms) 15 nm (104,644 atoms) 20 nm (248,057 atoms) 25 nm (484,146 atoms) 5 nm (4,388 atoms) 10 nm (34,881 atoms) 15 nm (117,442 atoms) 20 nm (278855 atoms) 25 nm (545088 atoms)

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