MCViNE- An object oriented Monte Carlo neutron ray tracing simulation package

Lin, J. Y. Y.; Smith, Hillary L.; Granroth, Garrett E.; Abernathy, Douglas L.; Lumsden, Mark D.; Winn, Barry L.; Aczel, Adam A.; Aivazis, Michael; Fultz, Brent

doi:10.1016/j.nima.2015.11.118

Title: MCViNE- An object oriented Monte Carlo neutron ray tracing simulation package

Journal Article · Sat Nov 28 00:00:00 EST 2015 · Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment

DOI:https://doi.org/10.1016/j.nima.2015.11.118· OSTI ID:1238731

Lin, J. Y. Y. ^[1]; Smith, Hillary L. ^[2]; Granroth, Garrett E. ^[3]; Abernathy, Douglas L. ^[3]; Lumsden, Mark D. ^[3]; Winn, Barry L. ^[3]; Aczel, Adam A. ^[3]; Aivazis, Michael ^[4]; Fultz, Brent ^[4]

California Institute of Technology (Caltech), Pasadena, CA (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
California Inst. of Technology (CalTech), Pasadena, CA (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
California Institute of Technology (Caltech), Pasadena, CA (United States)

MCViNE (Monte-Carlo VIrtual Neutron Experiment) is an open-source Monte Carlo (MC) neutron ray-tracing software for performing computer modeling and simulations that mirror real neutron scattering experiments. We exploited the close similarity between how instrument components are designed and operated and how such components can be modeled in software. For example we used object oriented programming concepts for representing neutron scatterers and detector systems, and recursive algorithms for implementing multiple scattering. Combining these features together in MCViNE allows one to handle sophisticated neutron scattering problems in modern instruments, including, for example, neutron detection by complex detector systems, and single and multiple scattering events in a variety of samples and sample environments. In addition, MCViNE can use simulation components from linear-chain-based MC ray tracing packages which facilitates porting instrument models from those codes. Furthermore it allows for components written solely in Python, which expedites prototyping of new components. These developments have enabled detailed simulations of neutron scattering experiments, with non-trivial samples, for time-of-flight inelastic instruments at the Spallation Neutron Source. Examples of such simulations for powder and single-crystal samples with various scattering kernels, including kernels for phonon and magnon scattering, are presented. As a result, with simulations that closely reproduce experimental results, scattering mechanisms can be turned on and off to determine how they contribute to the measured scattering intensities, improving our understanding of the underlying physics.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1238731

Alternate ID(s):: OSTI ID: 1397568

Journal Information:: Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 810, Issue C; ISSN 0168-9002

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 40 works

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References (53)

Structure and dynamics of $l − Ge$ : Neutron scattering experiments and ab initio molecular dynamics simulations Hugouvieux, Virginie; Farhi, Emmanuel; Johnson, Mark R. Physical Review B, Vol. 75, Issue 10 https://doi.org/10.1103/PhysRevB.75.104208	journal	March 2007
Effect of covalent bonding on magnetism and the missing neutron intensity in copper oxide compounds Walters, Andrew C.; Perring, Toby G.; Caux, Jean-Sébastien Nature Physics, Vol. 5, Issue 12 https://doi.org/10.1038/nphys1405	journal	October 2009
Phonon softening and metallization of a narrow-gap semiconductor by thermal disorder Delaire, O.; Marty, K.; Stone, M. B. Proceedings of the National Academy of Sciences, Vol. 108, Issue 12 https://doi.org/10.1073/pnas.1014869108	journal	March 2011
Electron-Phonon Coupling in the Conventional Superconductor ${YNi}_{2} B_{2} C$ at High Phonon Energies Studied by Time-of-Flight Neutron Spectroscopy Weber, F.; Rosenkranz, S.; Pintschovius, L. Physical Review Letters, Vol. 109, Issue 5 https://doi.org/10.1103/PhysRevLett.109.057001	journal	July 2012
Quantum oscillations of nitrogen atoms in uranium nitride Aczel, A. A.; Granroth, G. E.; MacDougall, G. J. Nature Communications, Vol. 3, Issue 1 https://doi.org/10.1038/ncomms2117	journal	January 2012
Inelastic neutron scattering studies of ${YFeO}_{3}$ Hahn, S. E.; Podlesnyak, A. A.; Ehlers, G. Physical Review B, Vol. 89, Issue 1 https://doi.org/10.1103/PhysRevB.89.014420	journal	January 2014
High-energy continuum of magnetic excitations in the two-dimensional quantum antiferromagnet ${Sr}_{2} {CuO}_{2} {Cl}_{2}$ Plumb, K. W.; Savici, A. T.; Granroth, G. E. Physical Review B, Vol. 89, Issue 18 https://doi.org/10.1103/PhysRevB.89.180410	journal	May 2014
Phonon Self-Energy and Origin of Anomalous Neutron Scattering Spectra in SnTe and PbTe Thermoelectrics Li, C. W.; Hellman, O.; Ma, J. Physical Review Letters, Vol. 112, Issue 17 https://doi.org/10.1103/PhysRevLett.112.175501	journal	April 2014
Improved Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments Copley, J. R. D.; Verkerk, P.; van Well, A. A. Computer Physics Communications, Vol. 40, Issue 2-3 https://doi.org/10.1016/0010-4655(86)90118-9	journal	June 1986
McStas, a general software package for neutron ray-tracing simulations Lefmann, Kim; Nielsen, Kristian Neutron News, Vol. 10, Issue 3 https://doi.org/10.1080/10448639908233684	journal	January 1999
McStas 1.7 - a new version of the flexible Monte Carlo neutron scattering package Willendrup, Peter; Farhi, Emmanuel; Lefmann, Kim Physica B: Condensed Matter, Vol. 350, Issue 1-3 https://doi.org/10.1016/j.physb.2004.03.193	journal	July 2004
Monte Carlo simulations of neutron scattering instruments by VITESS: Virtual instrumentation tool for ESS Zsigmond, G.; Lieutenant, K.; Mezei, F. Neutron News, Vol. 13, Issue 4 https://doi.org/10.1080/10448630208218488	journal	January 2002
IDEAS - a Monte Carlo simulation package for neutron-scattering instrumentation Lee, W. -T.; Wang, X. -L.; Robertson, J. L. Applied Physics A: Materials Science & Processing, Vol. 74, Issue 0 https://doi.org/10.1007/s003390201723	journal	December 2002
DISCUS : a program for diffuse scattering and defect-structure simulation Proffen, Th.; Neder, R. B. Journal of Applied Crystallography, Vol. 30, Issue 2 https://doi.org/10.1107/S002188989600934X	journal	April 1997
DISCUS , a program for diffuse scattering and defect structure simulations – update Proffen, Th.; Neder, R. B. Journal of Applied Crystallography, Vol. 32, Issue 4 https://doi.org/10.1107/S0021889899004860	journal	August 1999
RESTRAX — a program for TAS resolution calculation and scan profile simulation Šaroun, J.; Kulda, J. Physica B: Condensed Matter, Vol. 234-236 https://doi.org/10.1016/S0921-4526(97)00037-9	journal	June 1997
Virtual neutron scattering experiments Hugouvieux, V.; Farhi, E.; Johnson, M. R. Physica B: Condensed Matter, Vol. 350, Issue 1-3 https://doi.org/10.1016/j.physb.2004.04.015	journal	July 2004
Analysing neutron scattering data using McStas virtual experiments Udby, L.; Willendrup, P. K.; Knudsen, E. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 634, Issue 1 https://doi.org/10.1016/j.nima.2010.06.235	journal	April 2011
Reduction of data from inverted-geometry time-of-flight instruments Tregenna-Piggott, Philip; Juranyi, Fanni; Christiansen, Peter Journal of Neutron Research, Vol. 16, Issue 1 https://doi.org/10.1080/10238160802348446	journal	March 2008
Validation of Bragg edge experiments by Monte Carlo simulations for quantitative texture analysis Boin, M.; Hilger, A.; Kardjilov, N. Journal of Applied Crystallography, Vol. 44, Issue 5 https://doi.org/10.1107/S0021889811025970	journal	August 2011
nxs : a program library for neutron cross section calculations Boin, Mirko Journal of Applied Crystallography, Vol. 45, Issue 3 https://doi.org/10.1107/S0021889812016056	journal	May 2012
Virtual experiments: the ultimate aim of neutron ray-tracing simulations Lefmann, K.; Willendrup, P. K.; Udby, L. Journal of Neutron Research, Vol. 16, Issue 3 https://doi.org/10.1080/10238160902819684	journal	September 2008
Virtual experiments: Combining realistic neutron scattering instrument and sample simulations Farhi, E.; Hugouvieux, V.; Johnson, M. R. Journal of Computational Physics, Vol. 228, Issue 14 https://doi.org/10.1016/j.jcp.2009.04.006	journal	August 2009
Virtual experiments in a nutshell: Simulating neutron scattering from materials within instruments with McStas Farhi, E.; Willendrup, P. École thématique de la Société Française de la Neutronique, Vol. 12 https://doi.org/10.1051/sfn/201112015	journal	January 2011
Using McStas for modelling complex optics, using simple building bricks Willendrup, Peter K.; Udby, Linda; Knudsen, Erik Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 634, Issue 1 https://doi.org/10.1016/j.nima.2010.06.212	journal	April 2011
Advanced sources and optical components for the McStas neutron scattering instrument simulation package Farhi, E.; Monzat, C.; Arnerin, R. Journal of Neutron Research, Vol. 17, Issue 1 https://doi.org/10.3233/JNR-130007	journal	January 2014
Multiple-scattering effects on smooth neutron-scattering spectra Wuttke, Joachim Physical Review E, Vol. 62, Issue 5 https://doi.org/10.1103/PhysRevE.62.6531	journal	November 2000
A compact time-of-flight SANS instrument optimised for measurements of small sample volumes at the European Spallation Source Kynde, Søren; Hewitt Klenø, Kaspar; Nagy, Gergely Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 764 https://doi.org/10.1016/j.nima.2014.06.084	journal	November 2014
Application of the MCNPX-McStas interface for shielding calculations and guide design at ESS Klinkby, E. B.; Knudsen, E. B.; Willendrup, P. K. Journal of Physics: Conference Series, Vol. 528 https://doi.org/10.1088/1742-6596/528/1/012032	journal	July 2014
Exploring performance of neutron guide systems using pinhole beam extraction Bertelsen, Mads; Jacobsen, Henrik; Bengaard Hansen, Ursula Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 729 https://doi.org/10.1016/j.nima.2013.07.062	journal	November 2013
Probing static and dynamic correlations in matter under extreme conditions: Concept of multi-purpose instrument at the European Spallation Source Prokhnenko, O.; Lieutenant, K.; Cussen, L. D. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 764 https://doi.org/10.1016/j.nima.2014.07.013	journal	November 2014
New neutron-guide concepts and simulation results for the POWTEX instrument Houben, Andreas; Schweika, Werner; Brückel, Thomas Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 680 https://doi.org/10.1016/j.nima.2012.03.015	journal	July 2012
Upgrade of the primary spectrometer of the cold triple-axis spectrometer FLEX at the BER II reactor Skoulatos, M.; Habicht, K. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 647, Issue 1 https://doi.org/10.1016/j.nima.2011.05.037	journal	August 2011
A method for detailed simulations of neutron diffraction from imperfect crystals Alianelli, L.; Wilson, N.; Andersen, K. H. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 529, Issue 1-3 https://doi.org/10.1016/j.nima.2004.04.161	journal	August 2004
A comparison of Monte-Carlo simulation programs with experiment: the effect of a focusing guide on resolution Wildes, A. R.; Saroun, J.; Farhi, E. Applied Physics A: Materials Science & Processing, Vol. 74, Issue 0 https://doi.org/10.1007/s003390101243	journal	December 2002
Design and operation of the wide angular-range chopper spectrometer ARCS at the Spallation Neutron Source Abernathy, D. L.; Stone, M. B.; Loguillo, M. J. Review of Scientific Instruments, Vol. 83, Issue 1 https://doi.org/10.1063/1.3680104	journal	January 2012
SEQUOIA: A fine resolution chopper spectrometer at the SNS Granroth, G. E.; Vandergriff, D. H.; Nagler, S. E. Physica B: Condensed Matter, Vol. 385-386 https://doi.org/10.1016/j.physb.2006.05.379	journal	November 2006
A comparison of four direct geometry time-of-flight spectrometers at the Spallation Neutron Source Stone, M. B.; Niedziela, J. L.; Abernathy, D. L. Review of Scientific Instruments, Vol. 85, Issue 4 https://doi.org/10.1063/1.4870050	journal	April 2014
Design and performance of vacuum capable detector electronics for linear position sensitive neutron detectors Riedel, R. A.; Cooper, R. G.; Funk, L. L. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 664, Issue 1 https://doi.org/10.1016/j.nima.2011.08.038	journal	February 2012
Mantid—Data analysis and visualization package for neutron scattering and $μ$ SR experiments Arnold, O.; Bilheux, J. C.; Borreguero, J. M. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 764 https://doi.org/10.1016/j.nima.2014.07.029	journal	November 2014
Fast Monte Carlo simulation of a dispersive sample on the SEQUOIA spectrometer at the SNS Granroth, Garrett; Chen, Meili; Kohl, James Journal of Neutron Research, Vol. 15, Issue 1 https://doi.org/10.1080/10238160601046092	journal	January 2007
Neutron scattering lengths and cross sections Sears, Varley F. Neutron News, Vol. 3, Issue 3 https://doi.org/10.1080/10448639208218770	journal	January 1992
X-Ray Determination of Phonon Dispersion in Vanadium Colella, R.; Batterman, B. W. Physical Review B, Vol. 1, Issue 10 https://doi.org/10.1103/PhysRevB.1.3913	journal	May 1970
Crystal equilibrium and lattice dynamics of vanadium Gupta, O. P.; Hemkar, M. P. Il Nuovo Cimento B, Vol. 45, Issue 2 https://doi.org/10.1007/BF02894684	journal	June 1978
Normal Vibrations in Aluminum and Derived Thermodynamic Properties Gilat, G.; Nicklow, R. M. Physical Review, Vol. 143, Issue 2 https://doi.org/10.1103/PhysRev.143.487	journal	March 1966
Phonons in aluminum at high temperatures studied by inelastic neutron scattering Kresch, M.; Lucas, M.; Delaire, O. Physical Review B, Vol. 77, Issue 2 https://doi.org/10.1103/PhysRevB.77.024301	journal	January 2008
Anharmonicity-induced phonon broadening in aluminum at high temperatures Tang, Xiaoli; Li, Chen W.; Fultz, B. Physical Review B, Vol. 82, Issue 18 https://doi.org/10.1103/PhysRevB.82.184301	journal	November 2010
Magnetic excitation spectrum of the square lattice $S = 1 ∕ 2$ Heisenberg antiferromagnet $K_{2} V_{3} O_{8}$ Lumsden, M. D.; Nagler, S. E.; Sales, B. C. Physical Review B, Vol. 74, Issue 21 https://doi.org/10.1103/PhysRevB.74.214424	journal	December 2006
Improved Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments Copley, J. R. D. Mendeley https://doi.org/10.17632/gm9wgjntv9	dataset	January 2019
The new cold neutron chopper spectrometer at the Spallation Neutron Source: Design and performance Ehlers, G.; Podlesnyak, A. A.; Niedziela, J. L. Review of Scientific Instruments, Vol. 82, Issue 8 https://doi.org/10.1063/1.3626935	journal	August 2011
Using Monte Carlo ray tracing simulations to model the quantum harmonic oscillator modes observed in uranium nitride Lin, J. Y. Y.; Aczel, A. A.; Abernathy, D. L. Physical Review B, Vol. 89, Issue 14 https://doi.org/10.1103/physrevb.89.144302	journal	April 2014
High-Energy Continuum of Magnetic Excitations in the Two-Dimensional Quantum Antiferromagnet Sr2CuO2Cl2 Plumb, K. W.; Savici, A. T.; Granroth, G. E. arXiv https://doi.org/10.48550/arxiv.1402.3282	text	January 2014
Structure and dynamics of l-Ge: Neutron scattering experiments and ab initio molecular dynamics simulations Hugouvieux, Virginie; Farhi, Emmanuel; Johnson, Mark R. arXiv https://doi.org/10.48550/arxiv.cond-mat/0703363	text	January 2007

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Conceptual design of CHESS, a new direct-geometry inelastic neutron spectrometer dedicated to studying small samples Sala, Gabriele; Lin, Jiao Y. Y.; Graves, Van B. Journal of Applied Crystallography, Vol. 51, Issue 2 https://doi.org/10.1107/s1600576718002224	journal	March 2018

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Title: MCViNE- An object oriented Monte Carlo neutron ray tracing simulation package

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