JENDL-5 TSL file 1 0 0 1001.00000 9.991673-1 -1 0 6 1 1 1451 0.00000000 0.00000000 0 0 0 6 1 1451 1.00000000 10.0000000 0 0 12 5 1 1451 0.00000000 0.00000000 0 0 43 2 1 1451 H(H2O) KYOTO-U EVAL-JUN20 Y. Abe 1 1451 NIM A735, 568 (2014) DIST-DEC21 20200618 1 1451 ----JENDL-5 MATERIAL 1 1 1451 -----THERMAL NEUTRON SCATTERING DATA 1 1451 ------ENDF-6 FORMAT 1 1451 1 1451 The scattering law of H in light water is evaluated by the 1 1451 incoherent scattering approximation with the self-scattering law 1 1451 represented by the Gaussian approximation [1]. The density state 1 1451 for H is analyzed using the MD simulation code, GROMACS [2] with 1 1451 the potential model, TIP4P/2005f [3] under the constant 1 1451 temperature and pressure condition. The evaluation is conducted 1 1451 at 56 points between 270 and 800 K with the interval of 10 K 1 1451 including 293.6 and 296 K. The temperature and pressure 1 1451 conditions are listed in Table 1. Note that light water is 1 1451 evaluated as liquid at all temperatures (supercritical fluid 1 1451 above 650 K). Scattering law data are generated by our developed 1 1451 code, KUNSCA [4] at 801 alpha points between 1E-5 and 1E+3 and 1 1451 402 beta points between 3.95E-6 and 3.95E+2 with equally 1 1451 logarithmic intervals including beta=0. All alpha and beta 1 1451 values are normalized by the thermal energy of 25.3 meV, and 1 1451 logarithm data of the symmetrized scattering law are stored in 1 1451 the ENDF-6 formats [5]. 1 1451 1 1451 Table 1: The temperature and pressure conditions for light water. 1 1451 Temperature (K): 270-370 380-400 410-470 480-550 560-600 610-800 1 1451 Pressure (MPa): 0.1 1 5 7 15 25 1 1451 1 1451 References: 1 1451 [1] Y. Abe, T. Tsuboi, S. Tasaki, Nucl. Instruments Methods A735 1 1451 (2014) 568-573. 1 1451 [2] M.J. Abraham et al., SoftwareX 1-2 (2015) 19-25. 1 1451 [3] M.A. Gonzalez, J.L.F. Abascal, J. Chem. Phys. 135 (2011) 1 1451 224516. 1 1451 [4] Y. Abe et al., "Development of a General-Purpose Code for 1 1451 Analyzing Thermal Neutron Scattering Cross-Sections of 1 1451 Hydrogenous Molecules by Molecular Dynamics", To be 1 1451 submitted. 1 1451 [5] Members of the Cross Sections Evaluation Working Group, 1 1451 "ENDF-6 Formats Manual: Data Formats and Procedures for 1 1451 the Evaluated Nuclear Data File, ENDF/B-VI and ENDF/B-VII", 1 1451 Brookhaven National Laboratory, Upton, NY, 2009. 1 1451 1 1451 0.00000000 0.00000000 1 451 49 1 1 1451 0.00000000 0.00000000 7 4 3093015 1 1 1451 1 1 0 1 0 0 1001.00000 9.991673-1 0 1 0 0 1 7 4 0.00000000 0.00000000 1 0 12 1 1 7 4 40.9799900 395.256900 9.991673-1 10.0000000 0.00000000 2.00000000 1 7 4 1.00000000 3.74480100 15.8575100 0.00000000 0.00000000 1.00000000 1 7 4 0.00000000 0.00000000 0 0 1 402 1 7 4 402 2 1 7 4 270.000000 0.00000000 55 0 1 801 1 7 4 801 2 1 7 4 1.000000-5 14.0053500 1.023293-5 13.9823300 1.047129-5 13.9593000 1 7 4 1.071519-5 13.9362800 1.096478-5 13.9132500 1.122018-5 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