JENDL-5 TSL file 1 0 0 8016.00000 15.8575100 -1 0 6 1 661 1451 0.00000000 0.00000000 0 0 0 6 661 1451 1.00000000 10.0000000 0 0 12 5 661 1451 0.00000000 0.00000000 0 0 43 2 661 1451 O(H2O) KYOTO-U EVAL-JUN20 Y. Abe 661 1451 NIM A735, 568 (2014) DIST-DEC21 20200618 661 1451 ----JENDL-5 MATERIAL 661 661 1451 -----THERMAL NEUTRON SCATTERING DATA 661 1451 ------ENDF-6 FORMAT 661 1451 661 1451 The scattering law of O in light water is evaluated by the 661 1451 incoherent scattering approximation with the self-scattering law 661 1451 represented by the Gaussian approximation [1]. The density state 661 1451 for O is analyzed using the MD simulation code, GROMACS [2] with 661 1451 the potential model, TIP4P/2005f [3] under the constant 661 1451 temperature and pressure condition. The evaluation is conducted 661 1451 at 56 points between 270 and 800 K with the interval of 10 K 661 1451 including 293.6 and 296 K. The temperature and pressure 661 1451 conditions are listed in Table 1. Note that light water is 661 1451 evaluated as liquid at all temperatures (supercritical fluid 661 1451 above 650 K). Scattering law data are generated by our developed 661 1451 code, KUNSCA [4] at 801 alpha points between 1E-5 and 1E+3 and 661 1451 402 beta points between 3.95E-6 and 3.95E+2 with equally 661 1451 logarithmic intervals including beta=0. All alpha and beta 661 1451 values are normalized by the thermal energy of 25.3 meV, and 661 1451 logarithm data of the symmetrized scattering law are stored in 661 1451 the ENDF-6 formats [5]. 661 1451 661 1451 Table 1: The temperature and pressure conditions for light water. 661 1451 Temperature (K): 270-370 380-400 410-470 480-550 560-600 610-800 661 1451 Pressure (MPa): 0.1 1 5 7 15 25 661 1451 661 1451 References: 661 1451 [1] Y. Abe, T. Tsuboi, S. Tasaki, Nucl. Instruments Methods A735 661 1451 (2014) 568-573. 661 1451 [2] M.J. Abraham et al., SoftwareX 1-2 (2015) 19-25. 661 1451 [3] M.A. Gonzalez, J.L.F. Abascal, J. Chem. Phys. 135 (2011) 661 1451 224516. 661 1451 [4] Y. Abe et al., "Development of a General-Purpose Code for 661 1451 Analyzing Thermal Neutron Scattering Cross-Sections of 661 1451 Hydrogenous Molecules by Molecular Dynamics", To be 661 1451 submitted. 661 1451 [5] Members of the Cross Sections Evaluation Working Group, 661 1451 "ENDF-6 Formats Manual: Data Formats and Procedures for 661 1451 the Evaluated Nuclear Data File, ENDF/B-VI and ENDF/B-VII", 661 1451 Brookhaven National Laboratory, Upton, NY, 2009. 661 1451 661 1451 0.00000000 0.00000000 1 451 49 1 661 1451 0.00000000 0.00000000 7 4 3093015 1 661 1451 661 1 0 661 0 0 8016.00000 15.8575100 0 1 0 0 661 7 4 0.00000000 0.00000000 1 0 12 1 661 7 4 3.74480100 395.256900 15.8575100 10.0000000 0.00000000 1.00000000 661 7 4 1.00000000 40.9799900 9.991673-1 0.00000000 0.00000000 2.00000000 661 7 4 0.00000000 0.00000000 0 0 1 402 661 7 4 402 2 661 7 4 270.000000 0.00000000 55 0 1 801 661 7 4 801 2 661 7 4 1.000000-5 11.2374700 1.023293-5 11.2144400 1.047129-5 11.1914200 661 7 4 1.071519-5 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