JENDL-5 TSL file 1 0 0 6012.00000 11.8969100 -1 0 6 1 640 1451 0.00000000 0.00000000 0 0 0 6 640 1451 1.00000000 10.0000000 0 0 12 5 640 1451 0.00000000 0.00000000 0 0 43 2 640 1451 C(C6H6) KYOTO-U EVAL-FEB21 Y. Abe 640 1451 NIM A735, 568 (2014) DIST-DEC21 20210209 640 1451 ----JENDL-5 MATERIAL 640 640 1451 -----THERMAL NEUTRON SCATTERING DATA 640 1451 ------ENDF-6 FORMAT 640 1451 640 1451 The scattering law of C in the liquid benzene (C6H6) is 640 1451 evaluated by the incoherent scattering approximation with the 640 1451 self-scattering law represented by the Gaussian approximation 640 1451 [1]. The density state for C is analyzed using the MD simulation 640 1451 code, GROMACS [2] with the force field, CHARMM36 [3] under the 640 1451 constant temperature and pressure condition. The input topology 640 1451 of benzene is generated using CHARMM-GUI [4]. The evaluation is 640 1451 conducted at 12 points between 200 and 1000 K. The temperature 640 1451 and pressure conditions are listed in Table 1. Note that benzene 640 1451 is evaluated as liquid between 200 and 1000 K (supercritical 640 1451 fluid above 600 K). Scattering law data are generated by our 640 1451 developed code, KUNSCA [5] at 801 alpha points between 1E-5 and 640 1451 1E+3 and 402 beta points between 3.95E-6 and 3.95E+2 with 640 1451 equally logarithmic intervals including beta=0. All alpha and 640 1451 beta values are normalized by the thermal energy of 25.3 meV, 640 1451 and logarithm data of the symmetrized scattering law are stored 640 1451 in the ENDF-6 formats [6]. 640 1451 640 1451 Table 1: The temperature and pressure conditions for benzene. 640 1451 Temperature (K): 200 250 300 350 400 450 500 600 700 800 900 1000 640 1451 Pressure (MPa): 0.1 0.1 0.1 0.1 0.5 1 2.5 5 5 5 5 5 640 1451 640 1451 References: 640 1451 [1] Y. Abe, T. Tsuboi, S. Tasaki, Nucl. Instruments Methods A735 640 1451 (2014) 568-573. 640 1451 [2] M.J. Abraham et al., SoftwareX 1-2 (2015) 19-25. 640 1451 [3] J.B. Klauda et al., J. Phys. Chem. B 114 (2010) 7830-7843. 640 1451 [4] S. Kim et al., J. Comput. Chem. 38 (2017) 1879-1886. 640 1451 [5] Y. Abe et al., "Development of a General-Purpose Code for 640 1451 Analyzing Thermal Neutron Scattering Cross-Sections of 640 1451 Hydrogenous Molecules by Molecular Dynamics", To be 640 1451 submitted. 640 1451 [6] Members of the Cross Sections Evaluation Working Group, 640 1451 "ENDF-6 Formats Manual: Data Formats and Procedures for 640 1451 the Evaluated Nuclear Data File, ENDF/B-VI and ENDF/B-VII", 640 1451 Brookhaven National Laboratory, Upton, NY, 2009. 640 1451 640 1451 0.00000000 0.00000000 1 451 49 1 640 1451 0.00000000 0.00000000 7 4 705120 1 640 1451 640 1 0 640 0 0 6012.00000 11.8969100 0 1 0 0 640 7 4 0.00000000 0.00000000 1 0 12 1 640 7 4 28.3821300 395.256900 11.8969100 10.0000000 0.00000000 6.00000000 640 7 4 1.00000000 122.940000 9.991673-1 0.00000000 0.00000000 6.00000000 640 7 4 0.00000000 0.00000000 0 0 1 402 640 7 4 402 2 640 7 4 200.000000 0.00000000 11 0 1 801 640 7 4 801 2 640 7 4 1.000000-5 13.9656600 1.023293-5 13.9426000 1.047129-5 13.9195400 640 7 4 1.071519-5 13.8964800 1.096478-5 13.8734200 1.122018-5 13.8503600 640 7 4 1.148154-5 13.8273000 1.174898-5 13.8042300 1.202264-5 13.7811700 640 7 4 1.230269-5 13.7581000 1.258925-5 13.7350400 1.288250-5 13.7119700 640 7 4 1.318257-5 13.6889100 1.348963-5 13.6658400 1.380384-5 13.6427700 640 7 4 1.412538-5 13.6197000 1.445440-5 13.5966300 1.479108-5 13.5735500 640 7 4 1.513561-5 13.5504800 1.548817-5 13.5274100 1.584893-5 13.5043300 640 7 4 1.621810-5 13.4812500 1.659587-5 13.4581800 1.698244-5 13.4351000 640 7 4 1.737801-5 13.4120200 1.778279-5 13.3889400 1.819701-5 13.3658500 640 7 4 1.862087-5 13.3427700 1.905461-5 13.3196800 1.949845-5 13.2966000 640 7 4 1.995262-5 13.2735100 2.041738-5 13.2504200 2.089296-5 13.2273300 640 7 4 2.137962-5 13.2042300 2.187762-5 13.1811400 2.238721-5 13.1580400 640 7 4 2.290868-5 13.1349400 2.344229-5 13.1118500 2.398833-5 13.0887400 640 7 4 2.454709-5 13.0656400 2.511886-5 13.0425400 2.570396-5 13.0194300 640 7 4 2.630268-5 12.9963200 2.691535-5 12.9732100 2.754229-5 12.9501000 640 7 4 2.818383-5 12.9269800 2.884032-5 12.9038700 2.951209-5 12.8807500 640 7 4 3.019952-5 12.8576300 3.090295-5 12.8345100 3.162278-5 12.8113800 640 7 4 3.235937-5 12.7882500 3.311311-5 12.7651200 3.388442-5 12.7419900 640 7 4 3.467369-5 12.7188600 3.548134-5 12.6957200 3.630781-5 12.6725800 640 7 4 3.715352-5 12.6494400 3.801894-5 12.6262900 3.890451-5 12.6031400 640 7 4 3.981072-5 12.5799900 4.073803-5 12.5568400 4.168694-5 12.5336800 640 7 4 4.265795-5 12.5105200 4.365158-5 12.4873600 4.466836-5 12.4641900 640 7 4 4.570882-5 12.4410300 4.677351-5 12.4178500 4.786301-5 12.3946800 640 7 4 4.897788-5 12.3715000 5.011872-5 12.3483100 5.128614-5 12.3251300 640 7 4 5.248075-5 12.3019400 5.370318-5 12.2787400 5.495409-5 12.2555400 640 7 4 5.623413-5 12.2323400 5.754399-5 12.2091300 5.888437-5 12.1859200 640 7 4 6.025596-5 12.1627100 6.165950-5 12.1394900 6.309573-5 12.1162700 640 7 4 6.456542-5 12.0930400 6.606934-5 12.0698000 6.760830-5 12.0465700 640 7 4 6.918310-5 12.0233200 7.079458-5 12.0000700 7.244360-5 11.9768200 640 7 4 7.413102-5 11.9535600 7.585776-5 11.9303000 7.762471-5 11.9070300 640 7 4 7.943282-5 11.8837500 8.128305-5 11.8604700 8.317638-5 11.8371900 640 7 4 8.511380-5 11.8138900 8.709636-5 11.7905900 8.912509-5 11.7672900 640 7 4 9.120108-5 11.7439800 9.332543-5 11.7206600 9.549926-5 11.6973300 640 7 4 9.772372-5 11.6740000 1.000000-4 11.6506600 1.023293-4 11.6273100 640 7 4 1.047129-4 11.6039600 1.071519-4 11.5806000 1.096478-4 11.5572300 640 7 4 1.122018-4 11.5338500 1.148154-4 11.5104600 1.174898-4 11.4870700 640 7 4 1.202264-4 11.4636600 1.230269-4 11.4402500 1.258925-4 11.4168300 640 7 4 1.288250-4 11.3934000 1.318257-4 11.3699600 1.348963-4 11.3465100 640 7 4 1.380384-4 11.3230500 1.412538-4 11.2995800 1.445440-4 11.2761100 640 7 4 1.479108-4 11.2526200 1.513561-4 11.2291100 1.548817-4 11.2056000 640 7 4 1.584893-4 11.1820800 1.621810-4 11.1585500 1.659587-4 11.1350000 640 7 4 1.698244-4 11.1114400 1.737801-4 11.0878700 1.778279-4 11.0642900 640 7 4 1.819701-4 11.0406900 1.862087-4 11.0170800 1.905461-4 10.9934600 640 7 4 1.949845-4 10.9698200 1.995262-4 10.9461700 2.041738-4 10.9225000 640 7 4 2.089296-4 10.8988200 2.137962-4 10.8751200 2.187762-4 10.8514100 640 7 4 2.238721-4 10.8276900 2.290868-4 10.8039400 2.344229-4 10.7801800 640 7 4 2.398833-4 10.7564000 2.454709-4 10.7326100 2.511886-4 10.7088000 640 7 4 2.570396-4 10.6849600 2.630268-4 10.6611100 2.691535-4 10.6372500 640 7 4 2.754229-4 10.6133600 2.818383-4 10.5894500 2.884032-4 10.5655200 640 7 4 2.951209-4 10.5415700 3.019952-4 10.5176000 3.090295-4 10.4936100 640 7 4 3.162278-4 10.4695900 3.235937-4 10.4455500 3.311311-4 10.4214900 640 7 4 3.388442-4 10.3974000 3.467369-4 10.3732900 3.548134-4 10.3491600 640 7 4 3.630781-4 10.3250000 3.715352-4 10.3008100 3.801894-4 10.2765900 640 7 4 3.890451-4 10.2523500 3.981072-4 10.2280800 4.073803-4 10.2037800 640 7 4 4.168694-4 10.1794600 4.265795-4 10.1551000 4.365158-4 10.1307100 640 7 4 4.466836-4 10.1062900 4.570882-4 10.0818300 4.677351-4 10.0573500 640 7 4 4.786301-4 10.0328300 4.897788-4 10.0082700 5.011872-4 9.98368500 640 7 4 5.128614-4 9.95906000 5.248075-4 9.93439700 5.370318-4 9.90969700 640 7 4 5.495409-4 9.88495900 5.623413-4 9.86018200 5.754399-4 9.83536300 640 7 4 5.888437-4 9.81050300 6.025596-4 9.78560100 6.165950-4 9.76065600 640 7 4 6.309573-4 9.73566600 6.456542-4 9.71063300 6.606934-4 9.68555200 640 7 4 6.760830-4 9.66042300 6.918310-4 9.63524700 7.079458-4 9.61002000 640 7 4 7.244360-4 9.58474400 7.413102-4 9.55941600 7.585776-4 9.53403500 640 7 4 7.762471-4 9.50860000 7.943282-4 9.48311000 8.128305-4 9.45756200 640 7 4 8.317638-4 9.43195700 8.511380-4 9.40629400 8.709636-4 9.38056900 640 7 4 8.912509-4 9.35478400 9.120108-4 9.32893500 9.332543-4 9.30302100 640 7 4 9.549926-4 9.27704100 9.772372-4 9.25099400 1.000000-3 9.22487700 640 7 4 1.023293-3 9.19869000 1.047129-3 9.17243100 1.071519-3 9.14609900 640 7 4 1.096478-3 9.11969100 1.122018-3 9.09320600 1.148154-3 9.06664100 640 7 4 1.174898-3 9.03999800 1.202264-3 9.01327200 1.230269-3 8.98645900 640 7 4 1.258925-3 8.95956300 1.288250-3 8.93257600 1.318257-3 8.90550100 640 7 4 1.348963-3 8.87833500 1.380384-3 8.85107500 1.412538-3 8.82371900 640 7 4 1.445440-3 8.79626500 1.479108-3 8.76870900 1.513561-3 8.74105300 640 7 4 1.548817-3 8.71329200 1.584893-3 8.68542400 1.621810-3 8.65744500 640 7 4 1.659587-3 8.62935800 1.698244-3 8.60115400 1.737801-3 8.57283500 640 7 4 1.778279-3 8.54439700 1.819701-3 8.51583800 1.862087-3 8.48715500 640 7 4 1.905461-3 8.45834500 1.949845-3 8.42940600 1.995262-3 8.40033500 640 7 4 2.041738-3 8.37112900 2.089296-3 8.34178400 2.137962-3 8.31230000 640 7 4 2.187762-3 8.28267400 2.238721-3 8.25289700 2.290868-3 8.22297300 640 7 4 2.344229-3 8.19289600 2.398833-3 8.16266200 2.454709-3 8.13227000 640 7 4 2.511886-3 8.10171600 2.570396-3 8.07099600 2.630268-3 8.04010600 640 7 4 2.691535-3 8.00904400 2.754229-3 7.97780700 2.818383-3 7.94639000 640 7 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6.45397800 7.413102-3 6.41131100 640 7 4 7.585776-3 6.36828600 7.762471-3 6.32490000 7.943282-3 6.28115200 640 7 4 8.128305-3 6.23704200 8.317638-3 6.19255700 8.511380-3 6.14770400 640 7 4 8.709636-3 6.10247900 8.912509-3 6.05687700 9.120108-3 6.01090200 640 7 4 9.332543-3 5.96455200 9.549926-3 5.91782200 9.772372-3 5.87071900 640 7 4 1.000000-2 5.82323500 1.023293-2 5.77537200 1.047129-2 5.72713600 640 7 4 1.071519-2 5.67852600 1.096478-2 5.62954300 1.122018-2 5.58020500 640 7 4 1.148154-2 5.53047300 1.174898-2 5.48039300 1.202264-2 5.42995900 640 7 4 1.230269-2 5.37915900 1.258925-2 5.32801900 1.288250-2 5.27653800 640 7 4 1.318257-2 5.22472400 1.348963-2 5.17258600 1.380384-2 5.12012800 640 7 4 1.412538-2 5.06736800 1.445440-2 5.01430400 1.479108-2 4.96095400 640 7 4 1.513561-2 4.90733300 1.548817-2 4.85345300 1.584893-2 4.79932500 640 7 4 1.621810-2 4.74496600 1.659587-2 4.69040200 1.698244-2 4.63561700 640 7 4 1.737801-2 4.58065700 1.778279-2 4.52553500 1.819701-2 4.47027100 640 7 4 1.862087-2 4.41487700 1.905461-2 4.35938100 1.949845-2 4.30380100 640 7 4 1.995262-2 4.24816000 2.041738-2 4.19248400 2.089296-2 4.13678200 640 7 4 2.137962-2 4.08108900 2.187762-2 4.02542800 2.238721-2 3.96982100 640 7 4 2.290868-2 3.91429200 2.344229-2 3.85886400 2.398833-2 3.80356100 640 7 4 2.454709-2 3.74840800 2.511886-2 3.69342500 2.570396-2 3.63863800 640 7 4 2.630268-2 3.58406600 2.691535-2 3.52973300 2.754229-2 3.47565800 640 7 4 2.818383-2 3.42186000 2.884032-2 3.36835900 2.951209-2 3.31517300 640 7 4 3.019952-2 3.26231600 3.090295-2 3.20980500 3.162278-2 3.15765300 640 7 4 3.235937-2 3.10587300 3.311311-2 3.05447500 3.388442-2 3.00347100 640 7 4 3.467369-2 2.95286700 3.548134-2 2.90267200 3.630781-2 2.85289100 640 7 4 3.715352-2 2.80352800 3.801894-2 2.75458800 3.890451-2 2.70607300 640 7 4 3.981072-2 2.65798300 4.073803-2 2.61032000 4.168694-2 2.56308300 640 7 4 4.265795-2 2.51627100 4.365158-2 2.46988200 4.466836-2 2.42391400 640 7 4 4.570882-2 2.37836500 4.677351-2 2.33323200 4.786301-2 2.28851200 640 7 4 4.897788-2 2.24420100 5.011872-2 2.20029600 5.128614-2 2.15679500 640 7 4 5.248075-2 2.11369300 5.370318-2 2.07098900 5.495409-2 2.02868000 640 7 4 5.623413-2 1.98676200 5.754399-2 1.94523500 5.888437-2 1.90409700 640 7 4 6.025596-2 1.86334500 6.165950-2 1.82297900 6.309573-2 1.78299800 640 7 4 6.456542-2 1.74340200 6.606934-2 1.70419100 6.760830-2 1.66536400 640 7 4 6.918310-2 1.62692100 7.079458-2 1.58886500 7.244360-2 1.55119400 640 7 4 7.413102-2 1.51391100 7.585776-2 1.47701600 7.762471-2 1.44050900 640 7 4 7.943282-2 1.40439300 8.128305-2 1.36866800 8.317638-2 1.33333500 640 7 4 8.511380-2 1.29839400 8.709636-2 1.26384700 8.912509-2 1.22969400 640 7 4 9.120108-2 1.19593500 9.332543-2 1.16257000 9.549926-2 1.12959900 640 7 4 9.772372-2 1.09702200 1.000000-1 1.06483700 1.023293-1 1.03304400 640 7 4 1.047129-1 1.00164100 1.071519-1 9.706257-1 1.096478-1 9.399966-1 640 7 4 1.122018-1 9.097510-1 1.148154-1 8.798860-1 1.174898-1 8.503984-1 640 7 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