Virtual experiments: Combining realistic neutron scattering instrument and sample simulations

Journal Article · Sat Aug 01 04:00:00 EDT 2009 · Journal of Computational Physics

DOI:https://doi.org/10.1016/j.jcp.2009.04.006· OSTI ID:21308099

Hugouvieux, V ^[1]; Johnson, M R ^[2]; Kob, W ^[3]

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1. INRA, UR1268 Biopolymeres Interactions Assemblages, F-44300 Nantes (France)
2. Institut Laue Langevin, BP 156, 38042 Grenoble Cedex 9 (France)
3. Laboratoire des Colloides, Verres et Nanomateriaux, Universite Montpellier II, place E. Bataillon, 34095 Montpellier Cedex 5 (France)

A new sample component is presented for the Monte Carlo, ray-tracing program, McStas, which is widely used to simulate neutron scattering instruments. The new component allows the sample to be described by its material dynamic structure factor, which is separated into coherent and incoherent contributions. The effects of absorption and multiple scattering are treated and results from simulations and previous experiments are compared. The sample component can also be used to treat any scattering material which may be close to the sample and therefore contaminates the total, measured signal.

• OSTI ID: 21308099
• Journal Information: Journal of Computational Physics, Journal Name: Journal of Computational Physics Journal Issue: 14 Vol. 228; ISSN JCTPAH; ISSN 0021-9991
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ABSORPTION
COMPUTERIZED SIMULATION
LIQUIDS
MOLECULAR DYNAMICS METHOD
MONTE CARLO METHOD
MULTIPLE SCATTERING
NEUTRON DIFFRACTION
SIGNALS
STRUCTURE FACTORS