JEFF-3.1 General Purpose Thermal Scattering Law File, May 2005. 2310 0 0 0 1.590000+2 3.973190+1 -1 0 2 0 59 1451 1 0.000000+0 0.000000+0 0 0 0 6 59 1451 2 1.000000+0 0.000000+0 0 0 12 31 59 1451 3 0.000000+0 0.000000+0 0 0 66 3 59 1451 4 Ca(CaH2) CEA,ILL EVAL-OCT04 O.SEROT CEA Cadarache 59 1451 5 DIST-MAY05 REV1-MAY05 20050504 59 1451 6 ----JEFF-31 MATERIAL 59 59 1451 7 -----THERMAL NEUTRON SCATTERING DATA 59 1451 8 ------ENDF-6 FORMAT 59 1451 9 ***************************** JEFF-3.1 ************************* 59 1451 10 ** ** 59 1451 11 ** Original data taken from: New evaluation ** 59 1451 12 ** ** 59 1451 13 ****************************************************************** 59 1451 14 59 1451 15 Temperatures = 296. 400. 500. 600. 700. 800. 1000. 1200. K. 59 1451 16 59 1451 17 The present evaluation is based on measurements of CaH2 phonon 59 1451 18 frequency spectra performed at the ILL high flux reactor 59 1451 19 (Grenoble/France) (ref 1). The contribution of the Ca(OH)2 59 1451 20 impurity has been removed. 59 1451 21 59 1451 22 The phonon frequency spectrum obtained has the following 59 1451 23 characteristics: 59 1451 24 59 1451 25 - an acoustic mode, centered at around 20 meV. 59 1451 26 - two optic mode bands centered respectively in the energy 59 1451 27 range 70-100 meV and 110-140 meV. In each optic mode, fine 59 1451 28 structures could be observed and explained from the known 59 1451 29 crystal structure of CaH2 (ref 2,3). 59 1451 30 59 1451 31 In order to treat Calcium atom bound in CaH2, the acoustic mode 59 1451 32 has been weighted relative to the optical modes by a factor 59 1451 33 105/106 (see Ref.4). 59 1451 34 This weighting factor was not deduced from rigorous lattice 59 1451 35 dynamic model, but from physical grounds. This aspect could be 59 1451 36 improved and further investigations are needed on the matter. 59 1451 37 59 1451 38 The S(alpha,beta) scattering laws have been generated using the 59 1451 39 tools and methodologies given in ref 5. The alpha and beta grids 59 1451 40 are the same as used for H in CaH2 allowing energy transfers of 59 1451 41 almost 2 eV at T=296. K. 59 1451 42 59 1451 43 The following ENDF MAT and MT's have been chosen in order to 59 1451 44 remain compatible with other materials: MAT 59, MT 239 and 240 59 1451 45 incoherent inelastic and elastic cross sections. 59 1451 46 59 1451 47 The following options have been used in the processing: 59 1451 48 59 1451 49 Leapr: spr 3.0193, npr 1, iel 0 59 1451 50 Thermr: icoh 0, natom 1, mtref 239 59 1451 51 Acer: mti 239, mte 240, ielas 1 (incoherent elastic), nmix 1 59 1451 52 59 1451 53 REFERENCES 59 1451 54 ---------- 59 1451 55 1. P. Morris, D.K. Ross, S. Ivanov, D.R. Weaver and O. Serot, 59 1451 56 "Inelastic neutron scattering study of the vibrations 59 1451 57 frequencies of Hydrogen in Calcium Dihydride", International 59 1451 58 Symposium on Metal-Hydrogen System (MH2002), Annecy, FRANCE 59 1451 59 2. J. Bergsma and B.O. Loopstra, "The crystal Structure of 59 1451 60 Calcium Hydride", Acta Cryst. 15 (1962) 92-93 59 1451 61 3. A.F Andresen, A.J. Maeland and D. Slotfeldt-Ellingsen, 59 1451 62 "Calcium Hydride and Deuteride studied by Neutron Diffraction 59 1451 63 and NMR", Journal of Solid State Chemistry, 20, 93-101 (1997) 59 1451 64 4. O. Serot, "New results on CaH2 thermal neutrons scattering 59 1451 65 cross sections", Int. Conf. on Nuclear Data for Science and 59 1451 66 Technology, Santa Fe, New Mexico, Sept. 2004, in press 59 1451 67 5. R.E. MacFarlane, NJOY suite of manuals,"New Thermal Neutron 59 1451 68 Scattering Files for ENDF/B-VI release 2", August 1994 59 1451 69 59 1451 70 1 451 73 0 59 1451 71 7 2 6 0 59 1451 72 7 4 16210 0 59 1451 73 0.000000+0 0.000000+0 0 0 0 0 59 1 099999 0.000000+0 0.000000+0 0 0 0 0 59 0 0 0 1.590000+2 3.973190+1 2 0 0 0 59 7 2 1 3.173196+0 0.000000+0 0 0 1 8 59 7 2 2 8 2 59 7 2 3 2.960000+2 4.509652+0 4.000000+2 5.995401+0 5.000000+2 7.440080+0 59 7 2 4 6.000000+2 8.892659+0 7.000000+2 1.034979+1 8.000000+2 1.180978+1 59 7 2 5 1.000000+3 1.473492+1 1.200000+3 1.766409+1 59 7 2 6 0.000000+0 0.000000+0 0 0 0 0 59 7 099999 1.590000+2 3.973190+1 0 1 0 0 59 7 4 1 0.000000+0 0.000000+0 0 0 6 0 59 7 4 2 3.019300+0 7.800000+1 3.973190+1 1.973400+0 0.000000+0 1.000000+0 59 7 4 3 0.000000+0 0.000000+0 0 0 1 200 59 7 4 4 200 4 59 7 4 5 2.960000+2 0.000000+0 7 0 1 48 59 7 4 6 48 4 59 7 4 7 5.040600-1 2.750004-1 1.008120+0 2.346667-1 1.515180+0 1.687047-1 59 7 4 8 2.016240+0 1.272129-1 2.520300+0 9.974364-2 3.024360+0 8.016950-2 59 7 4 9 3.528420+0 6.546261-2 4.032480+0 5.404833-2 4.536540+0 4.499561-2 59 7 4 10 5.040600+0 3.770254-2 5.608670+0 3.108207-2 6.248930+0 2.516184-2 59 7 4 11 6.970440+0 1.995877-2 7.783590+0 1.547392-2 8.699970+0 1.169320-2 59 7 4 12 9.732790+0 8.585135-3 1.089680+1 6.102303-3 1.220830+1 4.182785-3 59 7 4 13 1.368720+1 2.751334-3 1.535260+1 1.728760-3 1.723080+1 1.029621-3 59 7 4 14 1.934680+1 6.784704-4 2.173200+1 3.665052-4 2.441970+1 1.844323-4 59 7 4 15 2.744910+1 8.566870-5 3.086360+1 3.636110-5 3.471060+1 1.394714-5 59 7 4 16 3.904650+1 4.771286-6 4.393380+1 1.434649-6 4.944120+1 3.731218-7 59 7 4 17 5.564820+1 8.239083-8 6.264250+1 1.513327-8 7.052600+1 2.257675-9 59 7 4 18 7.941050+1 2.66513-10 8.942420+1 2.41595-11 1.007080+2 1.62730-12 59 7 4 19 1.134230+2 7.84338-14 1.277590+2 2.58766-15 1.439090+2 5.58604-17 59 7 4 20 1.621160+2 7.45423-19 1.700000+2 1.15215-19 1.800000+2 1.08055-20 59 7 4 21 1.900000+2 1.01497-21 2.000000+2 9.54695-23 2.100000+2 8.99121-24 59 7 4 22 2.200000+2 8.47745-25 2.300000+2 8.00131-26 2.400000+2 7.55906-27 59 7 4 23 4.000000+2 0.000000+0 4 0 48 0 59 7 4 24 4.027964-1 2.896584-1 2.103951-1 1.648969-1 1.340176-1 1.113567-1 59 7 4 25 9.390837-2 8.004792-2 6.879122-2 5.949700-2 5.082968-2 4.283291-2 59 7 4 26 3.554574-2 2.899652-2 2.320377-2 1.817180-2 1.389035-2 1.032887-2 59 7 4 27 7.711654-3 5.418065-3 3.664460-3 2.375505-3 1.467772-3 8.593482-4 59 7 4 28 4.734432-4 2.435665-4 1.160330-4 5.067672-5 2.006712-5 7.117497-6 59 7 4 29 2.229503-6 6.072613-7 1.412447-7 2.750343-8 4.382664-9 5.57409-10 59 7 4 30 5.49892-11 4.06825-12 2.18128-13 8.11781-15 1.95625-15 3.22262-16 59 7 4 31 5.31698-17 8.78461-18 1.45319-18 2.40668-19 3.98989-20 6.62087-21 59 7 4 32 5.000000+2 0.000000+0 4 0 48 0 59 7 4 33 4.954492-1 3.303553-1 2.457144-1 1.968751-1 1.631367-1 1.381051-1 59 7 4 34 1.186352-1 1.029996-1 9.015111-2 7.940894-2 6.925036-2 5.972206-2 59 7 4 35 5.086997-2 4.273301-2 3.534473-2 2.871690-2 2.305949-2 1.804485-2 59 7 4 36 1.378041-2 1.024312-2 7.382413-3 5.140902-3 3.443442-3 2.208002-3 59 7 4 37 1.347770-3 7.782912-4 4.223167-4 2.135906-4 9.978799-5 4.264348-5 59 7 4 38 1.647959-5 5.687170-6 1.727197-6 4.542719-7 1.015828-7 1.892661-8 59 7 4 39 2.870952-9 3.45005-10 3.19489-11 2.20160-12 6.92758-13 1.60073-13 59 7 4 40 3.70445-14 8.58487-15 1.99199-15 4.62735-16 1.07604-16 2.50457-17 59 7 4 41 6.000000+2 0.000000+0 4 0 48 0 59 7 4 42 5.640716-1 3.664935-1 2.776680-1 2.255394-1 1.892763-1 1.622444-1 59 7 4 43 1.411070-1 1.240287-1 1.098991-1 9.799815-2 8.664893-2 7.589653-2 59 7 4 44 6.578730-2 5.635645-2 4.756714-2 3.971043-2 3.261868-2 2.631259-2 59 7 4 45 2.079456-2 1.606473-2 1.209300-2 8.844263-3 6.260511-3 4.272228-3 59 7 4 46 2.797345-3 1.748323-3 1.037094-3 5.799363-4 3.034184-4 1.473058-4 59 7 4 47 6.572869-5 2.667266-5 9.723417-6 3.141734-6 8.859515-7 2.143759-7 59 7 4 48 4.365559-8 7.312360-9 9.84360-10 1.03418-10 3.90617-11 1.13785-11 59 7 4 49 3.31964-12 9.69836-13 2.83694-13 8.30795-14 2.43549-14 7.14647-15 59 7 4 50 7.000000+2 0.000000+0 4 0 48 0 59 7 4 51 6.169679-1 4.000281-1 3.068668-1 2.516105-1 2.130760-1 1.842844-1 59 7 4 52 1.617041-1 1.433944-1 1.281829-1 1.153115-1 1.029710-1 9.120228-2 59 7 4 53 8.000908-2 6.927176-2 5.958324-2 5.061252-2 4.239489-2 3.496073-2 59 7 4 54 2.832423-2 2.250266-2 1.748234-2 1.324852-2 9.761580-3 6.969099-3 59 7 4 55 4.801460-3 3.178076-3 2.011091-3 1.209574-3 6.869994-4 3.658653-4 59 7 4 56 1.811958-4 8.269822-5 3.441706-5 1.291081-5 4.307872-6 1.259986-6 59 7 4 57 3.176942-7 6.770727-8 1.195574-8 1.705584-9 7.35456-10 2.53431-10 59 7 4 58 8.74650-11 3.02281-11 1.04600-11 3.62363-12 1.25663-12 4.36194-13 59 7 4 59 8.000000+2 0.000000+0 4 0 48 0 59 7 4 60 6.606360-1 4.314691-1 3.338216-1 2.756239-1 2.350043-1 2.046194-1 59 7 4 61 1.807494-1 1.613514-1 1.451936-1 1.314803-1 1.182825-1 1.055237-1 59 7 4 62 9.315588-2 8.187078-2 7.124604-2 6.131997-2 5.213025-2 4.371236-2 59 7 4 63 3.608729-2 2.928418-2 2.330117-2 1.814006-2 1.377755-2 1.017843-2 59 7 4 64 7.288163-3 5.038225-3 3.348141-3 2.127967-3 1.286163-3 7.346742-4 59 7 4 65 3.937510-4 1.964357-4 9.037793-5 3.796104-5 1.438743-5 4.857811-6 59 7 4 66 1.439951-6 3.682941-7 7.986955-8 1.436449-8 6.847643-9 2.679812-9 59 7 4 67 1.050362-9 4.12264-10 1.62015-10 6.37425-11 2.51045-11 9.89658-12 59 7 4 68 1.000000+3 0.000000+0 4 0 48 0 59 7 4 69 7.348299-1 4.890170-1 3.825313-1 3.189257-1 2.745304-1 2.412985-1 59 7 4 70 2.151541-1 1.938622-1 1.760692-1 1.606818-1 1.455768-1 1.316205-1 59 7 4 71 1.182291-1 1.054358-1 9.327608-2 8.178441-2 7.099717-2 6.095213-2 59 7 4 72 5.167477-2 4.320683-2 3.555923-2 2.875571-2 2.279654-2 1.767460-2 59 7 4 73 1.336364-2 9.822619-3 6.994732-3 4.805789-3 3.171253-3 1.999877-3 59 7 4 74 1.198292-3 6.778554-4 3.593297-4 1.770490-4 8.032939-5 3.321834-5 59 7 4 75 1.237367-5 4.094565-6 1.186891-6 2.960648-7 1.626131-7 7.616362-8 59 7 4 76 3.572818-8 1.678327-8 7.893791-9 3.716959-9 1.752020-9 8.26611-10 59 7 4 77 1.200000+3 0.000000+0 4 0 48 0 59 7 4 78 8.014974-1 5.408142-1 4.260313-1 3.575026-1 3.097038-1 2.739330-1 59 7 4 79 2.457837-1 2.227441-1 2.027069-1 1.864884-1 1.707777-1 1.556025-1 59 7 4 80 1.409929-1 1.269757-1 1.135804-1 1.008357-1 8.877334-2 7.742851-2 59 7 4 81 6.682485-2 5.700806-2 4.799273-2 3.981366-2 3.248420-2 2.601553-2 59 7 4 82 2.040224-2 1.562671-2 1.165640-2 8.438634-3 5.906648-3 3.980748-3 59 7 4 83 2.570634-3 1.582178-3 9.223802-4 5.058864-4 2.589954-4 1.227177-4 59 7 4 84 5.328894-5 2.096270-5 7.383359-6 2.294087-6 1.385734-6 7.322481-7 59 7 4 85 3.875322-7 2.053808-7 1.089821-7 5.789535-8 3.078798-8 1.638814-8 59 7 4 86 2.960000+2 7.906780-2 7 0 1 48 59 7 4 87 48 4 59 7 4 88 5.040600-1 2.535505-1 1.008120+0 2.258123-1 1.515180+0 1.665121-1 59 7 4 89 2.016240+0 1.267108-1 2.520300+0 9.960645-2 3.024360+0 8.011288-2 59 7 4 90 3.528420+0 6.542950-2 4.032480+0 5.402563-2 4.536540+0 4.497907-2 59 7 4 91 5.040600+0 3.769016-2 5.608670+0 3.107293-2 6.248930+0 2.515523-2 59 7 4 92 6.970440+0 1.995408-2 7.783590+0 1.547067-2 8.699970+0 1.169101-2 59 7 4 93 9.732790+0 8.583701-3 1.089680+1 6.101395-3 1.220830+1 4.182231-3 59 7 4 94 1.368720+1 2.751009-3 1.535260+1 1.728578-3 1.723080+1 1.029525-3 59 7 4 95 1.934680+1 6.769028-4 2.173200+1 3.656614-4 2.441970+1 1.840090-4 59 7 4 96 2.744910+1 8.547267-5 3.086360+1 3.627811-5 3.471060+1 1.391538-5 59 7 4 97 3.904650+1 4.760443-6 4.393380+1 1.431394-6 4.944120+1 3.722768-7 59 7 4 98 5.564820+1 8.220451-8 6.264250+1 1.509909-8 7.052600+1 2.252582-9 59 7 4 99 7.941050+1 2.65913-10 8.942420+1 2.41051-11 1.007080+2 1.62364-12 59 7 4 100 1.134230+2 7.82575-14 1.277590+2 2.58184-15 1.439090+2 5.57350-17 59 7 4 101 1.621160+2 7.43750-19 1.700000+2 1.14957-19 1.800000+2 1.07813-20 59 7 4 102 1.900000+2 1.01270-21 2.000000+2 9.52554-23 2.100000+2 8.97105-24 59 7 4 103 2.200000+2 8.45844-25 2.300000+2 7.98337-26 2.400000+2 7.54212-27 59 7 4 104 4.000000+2 7.906780-2 4 0 48 0 59 7 4 105 3.775938-1 2.844773-1 2.096554-1 1.647381-1 1.339468-1 1.113113-1 59 7 4 106 9.387606-2 8.002397-2 6.877300-2 5.948286-2 5.081885-2 4.282474-2 59 7 4 107 3.553967-2 2.899210-2 2.320061-2 1.816959-2 1.388885-2 1.032787-2 59 7 4 108 7.703703-3 5.412526-3 3.660743-3 2.373112-3 1.466302-3 8.584927-4 59 7 4 109 4.729743-4 2.433263-4 1.159190-4 5.062713-5 2.004755-5 7.110575-6 59 7 4 110 2.227341-6 6.066736-7 1.411083-7 2.747691-8 4.378445-9 5.56873-10 59 7 4 111 5.49365-11 4.06435-12 2.17919-13 8.11004-15 1.95438-15 3.21954-16 59 7 4 112 5.31189-17 8.77621-18 1.45181-18 2.40438-19 3.98608-20 6.61455-21 59 7 4 113 5.000000+2 7.906780-2 4 0 48 0 59 7 4 114 4.715103-1 3.277435-1 2.454155-1 1.967719-1 1.630735-1 1.380611-1 59 7 4 115 1.186030-1 1.029753-1 9.013222-2 7.939401-2 6.923868-2 5.971304-2 59 7 4 116 5.086309-2 4.272784-2 3.534091-2 2.871413-2 2.304611-2 1.803454-2 59 7 4 117 1.377265-2 1.023742-2 7.378353-3 5.138104-3 3.441585-3 2.206822-3 59 7 4 118 1.347055-3 7.778811-4 4.220956-4 2.134793-4 9.973628-5 4.262148-5 59 7 4 119 1.647112-5 5.684257-6 1.726315-6 4.540406-7 1.015312-7 1.891702-8 59 7 4 120 2.869500-9 3.44831-10 3.19328-11 2.20049-12 6.92410-13 1.59992-13 59 7 4 121 3.70259-14 8.58055-15 1.99099-15 4.62503-16 1.07550-16 2.50331-17 59 7 4 122 6.000000+2 7.906780-2 4 0 48 0 59 7 4 123 5.439329-1 3.652299-1 2.774877-1 2.254482-1 1.892162-1 1.622017-1 59 7 4 124 1.410754-1 1.240045-1 1.098800-1 9.798289-2 8.663683-2 7.588703-2 59 7 4 125 6.577993-2 5.635080-2 4.754914-2 3.969576-2 3.260691-2 2.630328-2 59 7 4 126 2.078735-2 1.605925-2 1.208894-2 8.841336-3 6.258466-3 4.270849-3 59 7 4 127 2.796451-3 1.747770-3 1.036768-3 5.797558-4 3.033246-4 1.472606-4 59 7 4 128 6.570861-5 2.666456-5 9.720475-6 3.140787-6 8.856854-7 2.143117-7 59 7 4 129 4.364255-8 7.310182-9 9.84067-10 1.03387-10 3.90501-11 1.13751-11 59 7 4 130 3.31866-12 9.69549-13 2.83610-13 8.30549-14 2.43478-14 7.14436-15 59 7 4 131 7.000000+2 7.906780-2 4 0 48 0 59 7 4 132 6.013226-1 3.993717-1 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