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All issues Volume 8 (2022) EPJ Nuclear Sci. Technol., 8 (2022) 8 References
Open Access
Issue
EPJ Nuclear Sci. Technol.
Volume 8, 2022
Article Number 8
Number of page(s) 21
DOI https://doi.org/10.1051/epjn/2022004
Published online 15 June 2022
  1. B.T.M. Willis, Neutron diffraction studies of the actinide oxides i. uranium dioxide and thorium dioxide at room temperature, Proc. R. Soc. Lond. A 274, 122–133 (1963) [CrossRef] [Google Scholar]
  2. B.T.M. Willis, Neutron diffraction studies of the actinide oxides ii. thermal motions of the atoms in uranium dioxide and thorium dioxide between room temperature and 1100 °C, Proc. R. Soc. Lond. A 274, 134–144 (1963) [CrossRef] [Google Scholar]
  3. B.O. Loopstra, Neutron diffraction investigation of U3O8, Acta Crystallogr. 17, 651–654 (1964) [CrossRef] [Google Scholar]
  4. L. Desgranges, G. Baldinozzi, G. Rousseau, J.-C. Niepce, G. Calvarin, Neutron diffraction study of the in situ oxidation of UO2, Inorg. Chem. 48, 7585–7592 (2009) [CrossRef] [Google Scholar]
  5. H.A. Levy, P.A. Agron, M.A. Bredig, M.D. Danford, X-ray and neutron diffraction studies of molten alkali halides, Ann. New York Acad. Sci. 79, 762–780 (1960) [Google Scholar]
  6. M. Atoji, Neutron diffraction studies of CaC2, YC2, LaC2, CeC2, TbC2, YbC2, LuC2, and UC2, J. Chem. Phys. 35, 1950–1960 (1961) [Google Scholar]
  7. H. Schober, An introduction to the theory of nuclear neutron scattering in condensed matter, J. Neutr. Res. 17, 109–357 (2014) [CrossRef] [Google Scholar]
  8. G.L. Squires, Introduction to the Theory of Thermal Neutron Scattering, 3rd edn. (Cambridge University Press, 2012) [Google Scholar]
  9. X.-X. Cai, T. Kittelmann, Ncrystal: a library for thermal neutron transport, Comput. Phys. Commun. 246, 106851 (2020) [CrossRef] [Google Scholar]
  10. L. Van Hove, Correlations in space and time and born approximation scattering in systems of interacting particles, Phys. Rev. 95, 249–262 (1954) [CrossRef] [Google Scholar]
  11. A. Trkov, D.A. Brown, Endf-6 formats manual: Data formats and procedures for the evaluated nuclear data files, Tech. rep., Brookhaven National Lab. (BNL), Upton, NY (United States), 2018 [Google Scholar]
  12. R.E. MacFarlane, New thermal neutron scattering files for ENDF/B-VI release 2. United States, 1994. Available at https://www.osti.gov/biblio/10192168 [Google Scholar]
  13. R. Macfarlane, D.W. Muir, R. Boicourt, A.C. Kahler III, J.L. Conlin, The enjoy nuclear data processing system, version 2016, Tech. rep., Los Alamos National Lab. (LANL), Los Alamos, NM (United States), 2017 [Google Scholar]
  14. K. Ramic, J.I. Marquez Damian, T. Kittelmann, D.D. Di Julio, D. Campi, M. Bernasconi, G. Gorini, V. Santoro, NJOY + NCrystal: an open-source tool for creating thermal neutron scattering libraries with mixed elastic support, Nucl. Instr. Methods Phys. Res. A 1027, 166227 (2022) [CrossRef] [Google Scholar]
  15. Y. Zhu, A.I. Hawari, Full law analysis scattering system hub (flassh), in Proc. PHYSOR (2018), pp. 22–26 [Google Scholar]
  16. Y.Q. Cheng, L.L. Daemen, A.I. Kolesnikov, A.J. Ramirez-Cuesta, Simulation of inelastic neutron scattering spectra using OCLIMAX, J. Chem. Theory Comput. 15, 1974–1982 (2019) [CrossRef] [Google Scholar]
  17. Y.Q. Cheng, A.J. Ramirez-Cuesta, Calculation of the thermal neutron scattering cross-section of solids using OCLIMAX, J. Chem. Theory Comput. 16, 5212–5217 (2020) [CrossRef] [Google Scholar]
  18. M.L. Zerkle, Mixed elastic scattering format proposal (2020). Available at https://indico.bnl.gov/event/7233/contributions/43822/attachments/31592/49906/Mixed_Elastic_Scattering_Format.pdf [Google Scholar]
  19. A. Sjolander, Multi-phonon processes in slow neutron scattering by crystals, Arkiv Fysik 14, 330–333. [Google Scholar]
  20. H. Sitepu, March-type models for the description of texture in granular materials., Ph.D. thesis, Curtin University, 1998 [Google Scholar]
  21. A. March, Mathematische theorie der regelung nach der korngestah bei affiner deformation, Zeitsch. Kristallogr. 81, 285–297 (1932) [Google Scholar]
  22. W.A. Dollase, Correction of intensities for preferred orientation in powder diffractometry: application of the March model, J. Appl. Crystallogr. 19, 267–272 (1986) [CrossRef] [Google Scholar]
  23. A. Altomare, G. Cascarano, C. Giacovazzo, A. Guagliardi, Early finding of preferred orientation: a new method, J. Appl. Crystallogr. 27, 1045–1050 (1994) [CrossRef] [Google Scholar]
  24. R. Cerny, V. Valvoda, M. Chladek, Empirical texture corrections for asymmetric diffraction and inclined textures, J. Appl. Crystallogr. 28, 247–253 (1995) [CrossRef] [Google Scholar]
  25. B.T.M. Willis, R.G. Hazell, Re-analysis of single-crystal neutron-diffraction data on UO2 using third cumulants, Acta Crystallogr. A 36, 582–584 (1980) [CrossRef] [Google Scholar]
  26. E.M. Tammar et al., Contribution a l'etude du facteur de structure dynamique des liquides simples, Ph.D. thesis, Metz (2000) [Google Scholar]
  27. P. Egelstaff, Neutron scattering studies of liquid diffusion, Adv. Phys. 11, 203–232 (1962) [CrossRef] [Google Scholar]
  28. R. Turner, The quasi-classical approximation for neutron scattering, Physica 27, 260–264 (1961) [CrossRef] [Google Scholar]
  29. G.H. Vineyard, Scattering of slow neutrons by a liquid, Phys. Rev. 110, 999–1010 (1958) [CrossRef] [Google Scholar]
  30. A. Rahman, K.S. Singwi, A. Sjolander, Theory of slow neutron scattering by liquids. i, Phys. Rev. 126, 986–996 (1962) [CrossRef] [Google Scholar]
  31. S.-T. Lin, M. Blanco, W.A. Goddard, The two-phase model for calculating thermodynamic properties of liquids from molecular dynamics: Validation for the phase diagram of lennard-jones fluids, J. Chem. Phys. 119, 11792–11805 (2003) [CrossRef] [Google Scholar]
  32. T.A. Pascal, S.-T. Lin, W.A. Goddard III, Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics, Phys. Chem. Chem. Phys. 13, 169–181 (2011) [CrossRef] [Google Scholar]
  33. G. Noguere, J.P. Scotta, S. Xu, E. Farhi, J. Ollivier, Y. Calzavarra, S. Rols, M. Koza, J.I. Marquez Damian, Temperature-dependent dynamic structure factors for liquid water inferred from inelastic neutron scattering measurements, J. Chem. Phys. 155, 024502 (2021) [CrossRef] [Google Scholar]
  34. P.A. Egelstaff, P. Schofield, On the evaluation of the thermal neutron scattering law, Nucl. Sci. Eng. 12, 260–270 (1962) [CrossRef] [Google Scholar]
  35. J. Marquez Damian, J. Granada, F. Cantargi, J. Dawidowski, Generation of thermal scattering libraries for liquids beyond the gaussian approximation using molecular dynamics and njoy/leapr, Ann. Nucl. Energy 92, 107–112 (2016) [CrossRef] [Google Scholar]
  36. K.S. Singwi, A. Sjolander, Diffusive motions in water and cold neutron scattering, Phys. Rev. 119, 863–871 (1960) [CrossRef] [Google Scholar]
  37. V.F. Sears, Theory of cold neutron scattering by homonu-clear diatomic liquids: II. Hindered rotation, Can. J. Phys. 44, 1299–1311 (1966) [CrossRef] [Google Scholar]
  38. M. Mattes, J. Keinert, Status of thermal neutron scattering data for graphite, Tech. rep., International Atomic Energy Agency (2005) [Google Scholar]
  39. B. Granger, J. Grout, Jupyterlab: Building blocks for interactive computing, Slides of presentation made at SciPy. [Google Scholar]
  40. T. Kluyver, B. Ragan-Kelley, F. Pérez, B. Granger, M. Bussonnier, J. Frederic, K. Kelley, J. Hamrick, J. Grout, S. Corlay, P. Ivanov, D. Avila, S. Abdalla, C. Willing, J. development team, Jupyter notebooks—a publishing format for reproducible computational workflows, in Positioning and Power in Academic Publishing: Players, Agents and Agendas, edited by F. Loizides, B. Scmidt (IOS Press, 2016), pp. 87–90 [Google Scholar]
  41. S.K. Lam, A. Pitrou, S. Seibert, Numba: a llvm-based python jit compiler, in Proceedings of the Second Workshop on the LLVM Compiler Infrastructure in HPC (2015), pp. 1–6 [Google Scholar]
  42. I.I. Al-Qasir, Thermal neutron scattering in graphite, Ph.D. thesis, North Carolina State University (2008) [Google Scholar]
  43. R. Coveyou, R. Bate, R. Osborn, Effect of moderator temperature upon neutron flux in infinite, capturing medium, J. Nucl. Energy 2, 153–167 (1956) [Google Scholar]
  44. I. Lux, Monte Carlo Particle Transport Methods: Neutron and Photon Calculations (2018). Available at 10.1201/9781351074834. [Google Scholar]
  45. W. Rothenstein, Neutron scattering kernels in pronounced resonances for stochastic doppler effect calculations, Ann. Nucl. Energy 23, 441–458 (1996) [CrossRef] [Google Scholar]
  46. S.P. Ong, W.D. Richards, A. Jain, G. Hautier, M. Kocher, S. Cholia, D. Gunter, V.L. Chevrier, K.A. Persson, G. Ceder, Python Materials Genomics (pymatgen): a robust, open-source python library for materials analysis, Comput. Mater. Sci. 68, 314–319 (2013) [Google Scholar]
  47. S.P. Ong, W.D. Richards, A. Jain, G. Hautier, M. Kocher, S. Cholia, D. Gunter, V.L. Chevrier, K.A. Persson, G. Ceder, UO2 unit cell with fm3m symmetry. Available at https://materialsproject.org/materials/mp-1597/ (asscessed 2021-04-07) [Google Scholar]
  48. J.L. Wormald, N.C. Fleming, A.I. Hawari, M.L. Zerkle, Generation of the thermal scattering law of uranium dioxide with ab initio lattice dynamics to capture crystal binding effects on neutron interactions, Nucl. Sci. Eng. 195, 227–238 (2021) [CrossRef] [Google Scholar]
  49. S. Baroni, S. de Gironcoli, A. Dal Corso, P. Giannozzi, Phonons and related crystal properties from density-functional perturbation theory, Rev. Mod. Phys. 73, 515–562 (2001) [CrossRef] [Google Scholar]
  50. P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G.L. Chiarotti, M. Cococcioni, I. Dabo, A.D. Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A.P. Seitsonen, A. Smogunov, P. Umari, R.M. Wentzcovitch, QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials, J. Phys.: Condens. Matter 21, 395502 (2009) [CrossRef] [PubMed] [Google Scholar]
  51. J.R. Granada, J.I. Marquez Damian, J. Dawidowski, J.I. Robledo, C. Helman, G. Romanelli, G. Skoro, Development of neutron scattering kernels for cold neutron reflector materials. Available at http://arxiv.org/abs/2103.09145 [Google Scholar]
  52. S. Xu, Measurement of the double differential neutron cross section of UO2 and determination of the thermal scattering law as a function of temperature, Ph.D. thesis, Aix-Marseille Universitae (2021) [Google Scholar]
  53. S. Xu, G. Noguere, L. Desgranges, J.M. Damian, Atomic scale monte-carlo simulations of neutron diffraction experiments on stoichiometric uranium dioxide up to 1664 k, Nucl. Instr. Methods Phys. Res. Sect. A 1002, 165251 (2021) [CrossRef] [Google Scholar]
  54. E. Brun, F. Damian, C. Diop, E. Dumonteil, F. Hugot, C. Jouanne, Y. Lee, F. Malvagi, A. Mazzolo, O. Petit, J. Trama, T. Visonneau, A. Zoia, Tripoli-4, cea, edf and areva reference monte carlo code, Ann. Nucl. Energy 82, 151–160 (2015) [Google Scholar]
  55. M.J. Abraham, T. Murtola, R. Schulz, S. Paall, J.C. Smith, B. Hess, E. Lindahl, Gromacs: high performance molecular simulations through multi-level parallelism from laptops to supercomputers, SoftwareX 1-2, 19–25 (2015) [CrossRef] [Google Scholar]
  56. J. Scotta, Improvement of the thermal and epithermal neutron scattering data for the interpretation of integral experiments, Ph.D. thesis, Aix-Marseille Universitae (2017). [Google Scholar]
  57. M.A. Gonzaalez, J.L.F. Abascal, A flexible model for water based on TIP4P/2005, J. Chem. Phys. 135, 224516 (2011) [CrossRef] [Google Scholar]
  58. J. Maarquez Damiaan, J. Granada, D. Malaspina, Cab models for water: A new evaluation of the thermal neutron scattering laws for light and heavy water in endf-6 format, Ann. Nucl. Energy 65, 280–289 (2014) [CrossRef] [Google Scholar]
  59. G. Noguere, J.P. Scotta, S. Xu, A. Filhol, J. Ollivier, E. Farhi, Y. Calzavarra, S. Rols, B. Fak, J.-M. Zanotti, Q. Berrod, Combining density functional theory and monte carlo neutron transport calculations to study the phonon density of states of Uo2 up to 1675 k by inelastic neutron scattering, Phys. Rev. B 102, 134312 (2020) [CrossRef] [Google Scholar]
  60. W.E. Lamb, Capture of neutrons by atoms in a crystal, Phys. Rev. 55, 190–197 (1939) [CrossRef] [Google Scholar]
  61. G. Borgonovi, Neutron scattering kernels calculations at epithermal energies, Tech. rep., Gulf General Atomic, Inc., San Diego, Calif. (1970) [Google Scholar]
  62. T. Sutton, T. Trumbull, C. Lubitz, Comparison of some monte carlo models for bound hydrogen scattering, in: International Conference on Mathematics, Computational Methods & Reactor Physics, Saratoga Springs, New York USA (2009) [Google Scholar]
  63. J. Dawidowski, L. Rodriguez Palomino, J. Marquez Damian, J. Blostein, G. Cuello, Effective temperatures and scattering cross sections in water mixtures determined by deep inelastic neutron scattering, Ann. Nucl. Energy 90, 247–255 (2016) [CrossRef] [Google Scholar]

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