Publications

McStas

Risø and DTU Physics publications on McStas

• Publications
• P. Willendrup, and K. Lefmann, Journal of Neutron Research, vol. 22, no. 1, pp. 1-16, 2020
• P. Willendrup, and K. Lefmann, Journal of Neutron Research, vol. 23, no. 1, pp. 7-27, 2021
• K. Lefmann and K. Nielsen, "McStas, a General Software Package for Neutron Ray-tracing Simulations", Neutron News 10, 20, (1999).
• K. Lefmann, K. Nielsen, A. Tennant and B. Lake, "McStas 1.1: A tool for building neutron Monte Carlo simulations", Physica B 276-278, 152, (2000).
• K. Nielsen and K. Lefmann, "Monte Carlo simulations of neutron scattering instruments using McStas", Physica B 283, 426, (2000).
• P.-O. Åstrand, K. Lefmann, E. Farhi, K. Nielsen and P. Skårup, "New features in McStas, version 1.5", Appl. Phys. A 74: S1511-S1513 (2002), ICNS contribution
• P. Allenspach, P. Böni, and K. Lefmann, "Loss Mechanisms in Supermirror Neutron Guides", Proceedings of SPIE 4509, 157-165 (2001)
• H. Edwards, K. Lefmann, B. Lake, K. Nielsen and P. Skaarup, "Simulation of a complete inelastic neutron scattering experiment", Appl. Phys. A 74: S1492-S1494 (2002), ICNS contribution
• S. N. Klausen, K. Lefmann, D. F. McMorrow and F. Altorfer, "Simulations and experiments on RITA2 at PSI", Appl. Phys. A 74: S1508-S1510 (2002), ICNS contribution
• P. Andersen, K. Lefmann, L. Theil Kuhn, P. K. Willendrup and E. Farhi "Monte Carlo simulations as a part of the configuration for neutron instruments" Physica B, 350 (2004) E721.
• P. Willendrup, E. Farhi and K. Lefmann, "McStas 1.7 a new version of the flexible Monte Carlo neutron scattering package" Physica B, 350 (2004) E735.
• P. Willendrup, U. Filges, L. Keller, E. Farhi, K. Lefmann, "Validation of a realistic powder sample using data from DMC at PSI" Physica B, 386, (2006), 1032.
• Peter K. Willendrup, Linda Udby, Erik Knudsen, Emmanuel Farhi and Kim Lefmann, "Using McStas for modelling complex optics, using simple building bricks", Nuclear Instruments and Methods in Physics Research Section A http://dx.doi.org/10.1016/j.nima.2010.06.212)
• Willendrup, P.; Farhi E.; Knudsen E.; Filges U.; Lefmann K; "McStas: past, present and future". Journal of Neutron Research 17, 2014 pp. 35-43 (DOI: 10.3233/JNR-130004)
• Willendrup, P.; Lefmann K; "McStas (i): Introduction, use, and basic principles for ray-tracing simulations". Journal of Neutron Research preprint, 2019 pp. 1-16(DOI:10.3233/JNR-190108)
• Reports
• P.-O. Åstrand, K. Lefmann and K. Nielsen, "Monte Carlo simulations of neutron scattering instruments",  In Proceedings of the International Workshop on New Opportunities in Single Crystal Spectroscopy with Neutrons, J. Füzi and L. Rosta (eds.), Balaton, Hungary, April 2001, KFKI-2001-01/E report (pdf)
• P.-O. Åstrand, K. Lefmann and K. Nielsen, "The philosophy of McStas", Proceedings from Workshop on VITESS 2.0 and other packages for simulations of neutron scattering, Berlin, Germany, June 2001, ESS report (to apper) (pdf)

Virtual experiments using McStas

• "Structure and dynamics of l-Ge: Neutron scattering experiments and ab initio molecular dynamics simulations" Hugouvieux V, Farhi E, Johnson MR, et al., , PRB 75 (2007) 104208
• "Validation of a realistic powder sample using data from DMC at PSI" Willendrup P, Filges U, Keller L, Farhi E, Lefmann K, , Physica B-Cond Matt 385 (2006) 1032.
• "Virtual experiments: Combining realistic neutron scattering instrument and sample simulations" E. Farhi, V. Hugouvieux, M. Johnson and W. Kob, Journal of Computational Physics 228, 5251-5261 (2009)
• "Virtual experiments – the ultimate aim of neutron ray-tracing simulations", K. Lefmann et al., Journal of Neutron Research 16, 97-111 (2008)
• "Analysing neutron scattering data using McStas virtual experiments" L. Udby, P.K. Willendrup, E. Knudsen, Ch. Niedermayer, U. Filges, N.B. Christensen, E. Farhi, B.O. Wells and K. Lefmann, Nucl. Instr. and Meth. in Phys. Research A (in press http://dx.doi.org/10.1016/j.nima.2010.06.235)

Simulations of instruments at ESS using McStas

• "Tailored Instrumentation to Long Pulse Neutron Spallation Sources" H. Schober, E. Farhi, F. Mezei, et al. , Nucl. Instr. and Meth. in Phys. Research A 589 (2008) 34-46

Simulations of instruments at ILL using McStas

• A. R. Wildes, J. Saroun, E. Farhi, I. Anderson, P. Høghøj and A. Brochier, "A comparison of Monte-Carlo simulations using RESTRAX and McStas with experiment on IN14", Physica B 276-278, 177, (2000).
• E. Farhi, "Results of Monte-Carlo simulations of the neutron flux along the H15 cold guide", ILL Internal report, 2001.
• E. Farhi, "About H15, H22 and H24 McStas simulations",  ILL Internal report, 2001.
• E. Farhi, T. Hansen, A. Wildes, R. Ghosh and K. Lefmann, "Designing new guides and instruments using McStas", Appl. Phys. A 74: S1471-S1473 (2002), ICNS contribution
• A. R. Wildes, J. Saroun, E. Farhi, I. Anderson, P. Høghøj and A. Brochier, "A comparison of Monte-Carlo simulation programs with experiment: the effect of a focusing guide on resolution", Appl. Phys. A 74: S1452-S1454 (2002), ICNS contribution
• Hugouvieux V, Farhi E, Johnson MR, "Virtual neutron scattering experiments" Physica B, 350 (2004) 151.
• L. Alianelli, M. Sanchez del Rio, R. Felici, K. H. Andersen and E. Farhi "A novel Monte Carlo algorithm for simulating crystals with McStas" , Physica B, 350 (2004) 725.
• Alianelli L, Wilson N, Andersen KH, del Rio MS, Felici R "A method for detailed simulations of neutron diffraction from imperfect crystals", Nucl. Instr. Meth. A 529 (1-3): 231-233 AUG 21 2004

Simulations of instruments at FRM-II using McStas

• R. Gilles, G. Artus, J. Saroun, H. Boysen and H. Fuess, "The new structure powder diffractometer at the FRM II in Garching", Commission on Powder Diffraction (1999), Newsletter No.22,12.
• G. R. J. Artus, R. Gilles, F. Frey and W. Scherer, "Concept of the new thermal single crystal diffractometer at FRM-II", Physica B 276-278, 77, (2000).
• R. Gilles, G. Artus, J. Saroun, H. Boysen and H. Fuess, "The new structure powder diffractometer at the FRM II in Garching", Physica B 276-278, 87, (2000).
• Ph. Bernhardt, F. Demmel and A. Magerl, "Monte-Carlo simulations of a high-resolution neutron TOF instrument", Physica B 276-278, 114, (2000).
• P. Link, G. Eckold and J. Neuhaus, "The new thermal triple-axis spectrometer PUMA at the Munich neutron-source", Physica B 276-278, 122, (2000).
• G. R. J. Artus, F. Frey and W. Scherer, "Optimisation of a thermal neutron guide by Monte Carlo simulations", Physica B 283, 436, (2000).
• S. Roth, A. Zirkel, J. Neuhaus, W. Schneider and W. Petry, "Optimization of the neutron guide system for the time-of-flight spectrometer at the FRM-II", Physica B 283, 439, (2000)
• R. Gilles, J. Saroun, H. Boysen and H. Fuess, "Monte Carlo Simulation for a neutron guide system of the new Structure Powder Diffractometer at the FRM-II in Garching", Proceedings of the HERCULES X EuroConference 2000, Grenoble.
• M. Rotter and R. Schedler, "McStas Simulation for PANDA. Part Ia. Primary spectrometer", Institut für Angewandte Physik, Technische Universität Dresden, 2001. PDF-file (3 Mb, 91 pages) is available on the PANDA homepage.

Simulations of instruments at PSI/SINQ using McStas

• Hils T, Boeni P, Stahn J, "Focusing parabolic guide for very small samples", PHYSICA B-CONDENSED MATTER 350 (1-3): 166-168 JUL 15 2004
• Schanzer C, Boni P, Filges U, Hils T, "Advanced geometries for ballistic neutron guides", Nucl. Instr. Meth. A 529 (1-3): 63-68 AUG 21 2004
• G. Zsigmond and U. Filges, Swiss neutron News, 26 (Dec 2004) 14.

Simulations of instruments at SNS using McStas

• H. N. Bordallo and K. W. Herwig, "Monte-Carlo simulations of a high-resolution inverse geometry spectrometer on the SNS-Long Wavelength Target Station", In Proceedings from ICANS-XV, Tsukuba, Japan. (pdf)

Simulations of instruments at ORNL using McStas

• S. E. Nagler, W.-T. Lee and R. M. Moon, "Design and simulation of the CG1 beamline at HFIR", Appl. Phys. A (submitted), ICNS contribution

Simulations of instruments at ANSTO using McStas

• Cussen LD, Wildes AR, "Scan profiles for neutron spectrometers. III. Rectangular-profile elements by numerical methods" JOURNAL OF APPLIED CRYSTALLOGRAPHY 36: 1225-1229 Part 5, OCT 2003

Simulations at the Joint project of JAERI and KEK using McStas

• K. Ohoyama, S. Itoh, T. Otomo, T. Osakabe, J. Suzuki, M. Matsuda, K. Kuwahara and M. Arai, "Estimation of pulse shape functions for high resolution chopper spectrometers by means of the simulation calculation program McStas", In Proceedings from ICANS-XV, Tsukuba, Japan, 2001.
• K. Ohoyama, S. Itoh, T. Otomo, T. Osakabe, J. Suzuki, M. Matsuda, K. Kuwahara and M. Arai, "Proposal for a chopper spectrometer with very high energy resolution", Appl. Phys. A 74: S1598-S1600 (2002), ICNS 2001 contribution
• Tamura I, Suzuki M, Hazawa T, Moriai A, Horl N, Sasajima F, Soyama K, "Performance of upgraded thermal neutron guides with supermirrors at JRR-3", Nucl. Instr. Meth. A 529 (1-3): 234-237 AUG 21 2004

Other simulation packages

General publications on simulations of neutron scattering instruments

• R. K. Crawford, "Report on the Workshop on Monte Carlo Simulation of Neutron Scattering Instruments", Argonne National Laboratory, Technical Note ANL/SNS/97-2, (1998).
• P.A. SEEGER, L.L. DAEMEN , E. FARHI , W.-T. LEE , L. PASSELL , J. SAROUN , X.-L. WANG , G. ZSIGMOND "A Model Instrument for Monte Carlo Code Comparisons", Neutron News 13 (No. 4), 24-29 (2002).

Simulations using RESTRAX

• J. Saroun and J. Kulda, "RESTRAX - a program for TAS resolution calculation and scan profile simulation", Physica B 234-236, 1102, (1997).
• J. Saroun and J. Kulda, "Monte Carlo simulations of resolution functions and scan profiles for neutron three-axis spectrometers", J. Neutron Res. 6, 125 (1997).
• J. Saroun, J. Kulda, A. Wildes and A. Hiess, "Monte Carlo simulation of neutron fluxes on an absolute scale - comparison to experiments", Physica B 276-278, 148, (2000).

Simulations using VITESS

• F. Mezei and G. Zsigmond, "Backscattering spectroscopy with 2 ueV resolution at pulsed spallation sources", Proceedings from ICANS-XIV, Argonne National Laboratory Report ANL 98/33, pp 113-118, (1998).
• D. Wechsler, G. Zsigmond, F. Streffer and F. Mezei, "VITESS: Virtual Instrumentation Tool for Pulsed and Continuous Sources", Neutron News 11, 25, (2000).
• D. Wechsler, G. Zsigmond, F. Streffer, J. A. Stride and F. Mezei, "Monte-Carlo simulations for instrumentation at pulsed and continuous sources", Physica B 276-278, 71, (2000).
• G. Zsigmond and F. Mezei, "Simulation of the time-of-flight-backscattering neutron spectrometer IRIS. The Monte Carlo data reduction technique", Physica B 276-278, 106, (2000).
• G. Zsigmond, F. Mezei, D. Wechsler and F. Streffer, "Monte Carlo simulation of crystal monochromators/analysers - Applications for the crystal-analyser neutron spectrometer IRIS",  Nucl. Instr. Meth. A 457, 299, (2001).
• G. Zsigmond, D. Wechsler and F. Mezei, "Monte Carlo simulation of NSE at reactor and spallation sources", Proceedings from ICANS XV, Tsukuba, Japan.
• H.N. Bordallo, G. Zsigmond and J.D.M. Champion, "Benchmark simulation of a Fermi-chopper instrument",  Physica B 350, 717-9, (2004).
• J. Peters, J.D.M. Champion, G. Zsigmond, H.N. Bordallo and F. Mezei, "Using Fermi choppers to shape the neutron pulse",  Nucl. Instr. Meth. A 557, 580-4, (2006).

Simulations using MCLIB/NISP

• P. A. Seeger, "The neutron instrument Monte Carlo library MCLIB: recent developments", Proceedings from ICANS-XIV, Argonne National Laboratory Report ANL 98/33, pp 202-218, (1998).
• L. L. Daemen, P. A. Seeger, R. P. Hjelm and T. G. Thelliez, "Monte Carlo tool for neutron optics and neutron scattering instrument design", SPIE Proc. 3771, 80, (1999).
• P. A. Seeger, L. L. Daemen, T. G. Thelliez and R. P. Hjelm, "Neutron instrument simulations in the next millennium", Physica B 283, 433, (2000).
• P. A. Seeger and L. L. Daemen, "Numerical solution of Bloch's equation for neutron spin precession", Nucl. Instr. Meth. A 457, 338 (2001).

Simulations using MCNP

• S. E. Keller, B. J. Heuser and J. M. Carpenter, "MCNP simulations of neutron moderation in the IPNS C moderator", Physica B 241-243, 30, (1998).

Simulations using MSCAT, etc.

• J. R. D. Copley, "Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments", Comput. Phys. Commun.7, 289, (1974).
• J. R. D. Copley, "Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments: Modification to slab geometry", Comput. Phys. Commun. 9, 59, (1975).
• J. R. D. Copley, "Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments: Modification to horizontal cylinder geometry", Comput. Phys. Commun. 9, 64, (1975).
• J. R. D. Copley, "Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments: Improved computation of  elastic coherent scattering intensities", Comput. Phys. Commun. 21, 431, (1981).
• J. R. D. Copley,  P. Verkerk, A. A. van Well and H. Fredrikze, "Improved Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments", Comput. Phys. Commun. 40, 337, (1986).
• J. R. D. Copley and C. A. Stone, "Neutron scattering and its effect on reaction rates in neutron absorption experiments", Nucl. Instr. Meth. A 281, 593, (1989).
• J. R. D. Copley, "Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments: Modification to spherical geometry", Comput. Phys. Commun. 66, 403, (1991).
• J. R. D. Copley, "Simulation and analysis of the transmission properties of curved-straight neutron guide systems", Nucl. Sci. Eng. 110, 1, (1992).
• J. R. D. Copley, "Transmission properties of short curved neutron guides: Part I. Acceptance diagram analysis and calculations", Nucl. Instr. Meth. A 355, 469, (1995).
• J. R. D. Copley, "Simulations of neutron focusing with curved mirrors", Rev. Sci. Instr. 67, 188, (1996).

NeXus data format

• P. Klosowski, M. Koennecke, J. Z. Tischler, R. Osborn, "NeXus: A common format for the exchange of neutron and synchrotron data", Physica B 241-243, 151, (1998).