From BASIS to MIRACLES: Benchmarking and perspectives for high-resolution neutron spectroscopy at the ESS

Results based on virtual instrument models for the first high-flux, high-resolution, spallation based, backscattering spectrometer, BASIS are presented in this paper. These were verified using the Monte Carlo instrument simulation packages McStas and VITESS. Excellent agreement of the neutron count rate at the sample position between the virtual instrument simulation and experiments was found, in both time and energy distributions. This achievement was only possible after a new component for a bent single crystal analyser in McStas, using a Gaussian approximation, was developed. These findings are pivotal to the conceptual design of the next generation backscattering spectrometer, MIRACLES at the European Spallation Source.

[1]  E. Paula,et al.  Looking at hydrogen motions in confinement , 2014 .

[2]  L. Daemen,et al.  Polymorphism of paracetamol: a new understanding of molecular flexibility through local methyl dynamics. , 2014, Molecular pharmaceutics.

[3]  E. Boldyreva,et al.  Polymorphic drugs examined with neutron spectroscopy: Is making more stable forms really that simple? , 2013 .

[4]  D. Cavagnat,et al.  Hydronium dynamics in the perchloric acid clathrate hydrate , 2013 .

[5]  Ferenc Mezei,et al.  Unperturbed moderator brightness in pulsed neutron sources , 2013 .

[6]  Mark R. Johnson,et al.  Application of incoherent inelastic neutron scattering in pharmaceutical analysis: relaxation dynamics in phenacetin. , 2012, Molecular pharmaceutics.

[7]  T. Seydel,et al.  Neutron Time-of-Flight Quantification of Water Desorption Isotherms of Montmorillonite , 2012 .

[8]  V. Sakai,et al.  Biodegradable dextran based microgels: a study on network associated water diffusion and enzymatic degradation , 2012 .

[9]  E. Mamontov,et al.  A time-of-flight backscattering spectrometer at the Spallation Neutron Source, BASIS. , 2011, The Review of scientific instruments.

[10]  A. Deriu,et al.  Dynamics of Nanostructures for Drug Delivery: the Potential of QENS , 2010 .

[11]  E. Mamontov,et al.  Recent Backscattering Instrument Developments at the ILL and SNS , 2010 .

[12]  D. Argyriou,et al.  Decisions on the European Spallation Source. , 2009, Nature materials.

[13]  F. Demmel,et al.  FIRES: a novel neutron backscattering spectrometer , 2008 .

[14]  N. Dencher,et al.  Low-energy Dynamics and biological function , 2006 .

[15]  Kim Lefmann,et al.  McStas 1.7 - a new version of the flexible Monte Carlo neutron scattering package , 2004 .

[16]  R. Lechner,et al.  Proton conduction based on intracrystalline chemical reaction , 2002 .

[17]  J. Stride,et al.  Monte-Carlo simulations for instrumentation at pulsed and continuous sources , 2000 .

[18]  J. Kulda A novel approach to dynamical neutron diffraction by a deformed crystal , 1984 .

[19]  G. Ehlers,et al.  Dynamics of Frustrated Magnetic Moments in Antiferromagnetically Ordered TbNiAl Probed by Spin Echo and Time-of-Flight Spectroscopy , 2002 .