Introduction of the Resonance dependent scattering kernel in SERPENT In the Memory of John Rowlands Institute for Neutron Physics and Reactor Technology R. Dagan Institute for Neutron Physics and Reactor Technology (INR), Forschungszentrum Karlsruhe GmbH, Postfach 3640, D-76021 Karlsruhe, Germany KIT The cooperation of Forschungszentrum Karlsruhe GmbH and Universität Karlsruhe (TH)
outline John Rowlands Introduction to the resonance dependent double differential cross section. The analytic and the stochastic solutions. The implementation new scattering kernel MC codes, in particular in SERPENT. Future challenges with SERPENT. 2 14.09.2011
In the Memory of John Rowlands The scientific founder and the Spirit of the JEFF project (Libraries) The World Expert on XS and scattering kernels The initiator of the development of the Double Differential Cross Section in the 1990 s for heavy nuclides Etc, etc,,,,,, 3 14.09.2011
The transport equation and the scattering kernel term 1 f ( E, r, Ω, t) + Ω i f ( E, r, Ω, t) + [ Σ ( ) ( )] s E + Σ a E f ( E, r, Ω, t) = v t = Σ( E ' E; Ω ' Ω) f ( E ', r, Ω ', t) dω ' de ' + S( E, r, Ω, t) Ω ' 0 How good can we calculate the scattering kernel term for heavy isotopes? - The scattering cross section is temperature and energy dependent BUT The scattering kernel is (mostly) used at 0K and is energy independent. What are the consequences of this approximation? 4 14.09.2011
~1920-1998: Different types of scattering kernels for a 6.52 ev neutron interacting with U238 MCNP Manual: If the energy of the neutron is greater than 400KT and the target is not Hydrogen the velocity of the target is set to Zero (Asymptotic kernel) s catterin g k ern el (b arn s/e /O m eg a) 600 500 400 300 200 100 Temp=0K Temp= T K,XS=Const. Temp=T K, XS=f (E) 0 6.17 6.22 6.27 6.32 6.37 6.42 6.47 6.52 6.57 6.62 6.68 6.73 6.79 neutron energy after collision (ev) at E=6.52 ev S c a t t e r i n g K e r n e l ( B a r n ) 500 400 300 200 100 0 Double Differential Scattering Kernel for U238 (E=6.52, T=1000K) Bin (0.75,1) Bin(0.5,0.75) Bin(0.25,0.5) Bin(0.0,0.25) Bin(-0.25,0) Bn(-0.5,-0.25) Bin(-0.75,-0.5) Bin(-1,-0.75) 6.17 6.20 6.24 6.28 6.32 6.35 6.39 6.43 6.47 6.51 6.55 6.59 6.62 6.66 6.70 6.74 6.79 Neutron Energy after collision (ev) 5 14.09.2011
The double differential resonant scattering kernel T σ ( E E', Ω Ω ') ; σ = σ ( E) S s s Ann. Nucl. Energy. 1998 25 p 209 Ann. Nucl. Energy. 2004 31 p 9 This kernel can be solved numerically in reasonable time and was implemented in THERMR. The new kernel is mathematically consistent and in accordance with the BROADR module (Doppler broadening) of NJOY Formatted probability tables can be prepared for MCNP calculations as it is done for light isotopes. 6 14.09.2011
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Simulation of 232 Th Scattering Deviation also for forward angles 8 14.09.2011
MC Scattering Kernel Treatment: Sampling the target velocity =1?? Rejection technique 9 14.09.2011
DBRC -Doppler Broadening Rejection Correction for the MCNP Scattering Kernel Treatment: within Sampling the target velocity Rejection technique 10 14.09.2011
General Implementation of DBRC 2 2 2 2 4 3 β V 3 2 β V (2 β ) V e + ( βv π /2)(4 β / π ) V e P( V, µ ) 1 + βv π /2 vr σs( vr,0) max v + V σs ( vξ,0) - Add the 0 degree cross sections of the resonant nuclide 1) Sample V and µ 2) Existing Velocity Rejection 3) introduce DBRC-Doppler Broadening Rejection Correction. (Seek for the max XS based on Weisbin-Cullen approach NSE 1976) http://www.oecd-nea.org/dbforms/data/eva/evatapes/jeff_31/resonant- Scattering-Kernel-Dagan/ 11 14.09.2011
Validation of the sampling of the target velocity approach Defficiency due to rejection U238 av. number of sim. per incident neutron 10000 1000 100 10 300K 1200K 1 33 34 35 36 37 38 39 40 energy [ev] Rothenstein ANE1996: Does the stochastic solver in MCNP sampling of the target velocity lead to a mathematical violation and to a bias of the integral parameters (criticality etc.)? 12 14.09.2011
Comparison of different calculations approaches Criticality k of a LWR pin cell at TF=1200K and computer time (ctm) applying different scattering models Method k ctm [min] (1) standard MCNP: k 1 1.31137 +/-6E-5 1052 (2) standard MCNP (E n <210eV): k 2 1.31153 +/-6E-5 1076 (3) S(α,β) (8 bins): k 3 1.30775 +/-6E-5 1092 (4) S(α,β) (16 bins): k 4 1.30772 +/-6E-5 1028 (5) DBRC: k 5 1.30791 +/-6E-5 1240 Differences k 2 -k 1-16 pcm k 3 -k 1-362 pcm k 4 -k 1-365 pcm k 5 -k 1-346 pcm k 5 -k 4 19 pcm 13 14.09.2011
Implementation in SERPENT Similarly to tgtvel ( sampling the target velocity module in MC codes) the DBRC was implemented, namely adding a rejection test. Advantage of SERPENT : the calling of the zero data XS is simpler based on the data structure in SERPENT. Sampling procedure much quicker than by other MC codes. Ideal for parameter testing (known advantage of SERPENT) S( α, β ) tables could accelerate the process with a penalty on the higher data storage. Should be preprepared Zero XS still have to be generated. (for the beginning could be optionally given for U238) 14 14.09.2011
Use of the resonant dependent DDXS in SERPENT Zero XS still have to be generated. (for the beginning could be optionally given for U238) S( α, β ) The Serpent format should be prepared. 15 14.09.2011
Challenges of SERPENT: The applicability of Mubar D = L Σ 2 g g r, g 16 14.09.2011
1 st and 2 nd Angular Moment (PhD work of B. Becker) Commonly used in deterministic codes and not in MC codes Illustrates the angular discrepancy between the std. MCNP and DBRC kernels 17 14.09.2011
Resonance dependent Legendre moments G. Arbanas et al. M&C 2011 18 14.09.2011
The impact of the new scattering kernel on MCNP philosophy In spite of the stochastically violation of MCNP the new scattering kernel proves that from practical point of view the MCNP methodology is most of the time correct this opens new possibilities to calculate Doppler Broadening on the fly The resonant scattering kernel has impact on many fields such as: Solid state effect BNCT Superconductivity 19 14.09.2011 Forest Brown SNA+MC Tokyo 201
Two of the top future oriented Monte Carlo R&D efforts dedicated to Doppler Broadening effects Forest Brown SNA+MC Tokyo 2010 20 14.09.2011
Top 6 future oriented Monte Carlo R&D efforts connected to Doppler Broadening; temperature effects Forest Brown SNA+MC Tokyo 2010 21 14.09.2011
Challenges for SERPENT: Stochastic Doppler Broadening (will be addressed later in the work shop) Weighting method: N T i= 1 σ s = σ T s = σ max w σ ( v,0) 1, i s r, i N N N w accepted tallies 1, i vr = v Rejection method: vr σ s( v,0) r 1: 2: max v + V σ s ( v ξ,0) accepted + rejected tallies Scattering cross section evaluation (1200K) at the peak resonance of 36.67 for U238 22 14.09.2011
Challenges for SERPENT: Rate of Convergence of Antithetic Transforms in Monte Carlo Simulation What is an Antithetic Variate? Introduced by Hammersley and Morton, 1956. Based on the following observation: Suppose there exists two estimators t1 and t2. Then the variance of their average is var([t1 + t2]/2) = {var(t1) + var(t2) + 2*covar(t1,t2)}/4 So, if the covariance is negative, total variance is reduced relative to what it would otherwise be. If this occurs the variates t1 and t2 are antithetic standard deviation (b) 24 22 20 18 16 14 12 10 8 6 4 CONVERGENCE RATE random sampling antithetic sampling 2 0.0 5.0e+5 1.0e+6 1.5e+6 2.0e+6 2.5e+6 Number of sam ples 23 14.09.2011
Summary Serpent is a good tool for the testing of the impact of the resonance dependent scattering kernel: It can give corrections for core parameters of different levels The probability table method could be implemented for an accurate study of the Mc method itself (validity of rejection methods etc.) and for learning better the solid state effects for heavy nuclides like U238. The validity of the Legendre moments Extension of the Studies to stochastical Doppler Broadening Variance reduction methods in view of the scattering kernel solver 24 14.09.2011