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DOE OSTI2016

Collaborative Research: A Model of Partially Ionized Plasma Flows with Kinetic Treatment of Neutral Atoms and Nonthermal Ions

Interactions of flows of partially ionized, magnetized plasma are frequently accompanied by the presence of both thermal and non-thermal (pickup) ion components. Such interactions cannot be modeled using traditional MHD equations and require more advanced approaches to treat them. If a nonthermal component of ions is formed due to charge exchange and collisions between the thermal (core) ions and neutrals, it experiences the action of magnetic field, its distribution function is isotropized, and it soon acquires the velocity of the ambient plasma without being thermodynamically equilibrated. This situation, e. g., takes place in the outer heliosphere –- the part of interstellar space beyond the solar system whose properties are determined by the solar wind interaction with the local interstellar medium. This is also possible in laboratory, at million degrees and above, when plasma is conducting electricity far too well, which makes Ohmic heating ineffective. To attain the target temperatures one needs additional heating eventually playing a dominant role. Among such sources is a so-called neutral particle beam heating. This is a wide-spread technique (Joint European Torus and International Thermonuclear Experimental Reactor experiments) based on the injection of powerful beams of neutral atoms into ohmically preheated plasma. In this project we have investigated the energy and density separation between the thermal and nonthermal components in the solar wind and interstellar plasmas. A new model has been developed in which we solve the ideal MHD equations for mixture of all ions and the kinetic Boltzmann equation to describe the transport of neutral atoms. As a separate capability, we can treat the flow of neutral atoms in a multi-component fashion, where neutral atoms born in each thermodynamically distinct region are governed by the Euler gas dynamic equations. We also describe the behavior of pickup ions either kinetically, using the Fokker--Planck equation, or as a separate fluid. Our numerical simulations have demonstrated that pickup ions play a major role in the interaction of the solar wind and (partially ionized) interstellar medium plasmas. Our teams have investigated the stability of the surface (the heliopause) that separates the solar wind from the local interstellar medium, the transport of galactic cosmic rays, the properties of the heliotail flow, and modifications to the bow wave in front of the heliopause due to charge exchange between the neutral H atoms born in the solar wind and interstellar ions. Modeling results have been validated against observational data, such as obtained by the Interstellar Boundary Explorer (IBEX), and made it possible to shed light on the structure of energetic neutral atom maps created by this spacecraft.. We have also demonstrated that charge-exchange modulated heliosphere is a source of anisotropy of the multi-TeV cosmic ray flux observed in a number of Earth-bound air shower experiments. Newly developed codes are implemented within a Multi-Scale Fluid-Kinetic Simulation Suite (MS-FLUKSS), a publicly available code being developed by our team for over 12 years. MS-FLUKSS scales well up to 160,000 computing cores and has been ported on major supercomputers in the country. Efficient parallelization and data choreography in the continuum simulation modules are provided by Chombo, an adaptive mesh refinement framework managed by Phillip Colella's team at LBNL. We have implemented in-house, hybrid (MPI+OpenMP) parallelization of the kinetic modules that solve the Boltzmann equation with a Monte Carlo method. Currently, the kinetic modules are being rewritten to take advantage of the modern CPU-GPU supercomputer architecture. The scope of the project allowed us to enhance plasma research and education in such broad, multidisciplinary field as physics of partially ionized plasma and its application to space physics and fusion science. Besides the impact on the modeling of complex physical systems, our approach to computational resource management for complex codes utilizing multiple algorithm technologies appears to be a major advance on current approaches. The development of sophisticated resource management will be essential for all future modeling efforts that incorporate a diversity of scales and physical processes. Our effort provided leadership in promoting computational science and plasma physics within the UAH and FIT campuses and, through the training of a broad spectrum of scientists and engineers, fostering new technologies across the country.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Recent Advances in the Use of TRIPOLI-4 Monte Carlo Code for Radiation Protection and Shielding Calculations - Paper 47

TRIPOLI-4 is a general purpose radiation transport code. It uses the continuous-energy Monte Carlo method to simulate neutron, photon, electron and positron transport in three-dimensional geometries. The main application areas of TRIPOLI-4 code include radiation protection and shielding, fission reactor physics, nuclear criticality safety, fusion reactor design, and nuclear instrumentation. For the radiation protection and shielding calculations with TRIPOLI-4 code, miscellaneous radiation sources options, various variance reduction options, and many useful tally options are available. Perturbation calculations on material densities and nuclide concentrations are routinely used in radiation protection applications. Parallel calculations with TRIPOLI-4 are also easy to perform with a PC under the linux/unix OS. To help the users to get the feedback from their test runs during the input data preparation and adjustment and to analyze the intermediate and final results from their production runs, several user-interface tools have been introduced. By using some application cases in the fields of radiation shielding, radiation dosimetry, and gamma spectrometry, this paper summarizes and demonstrates some essential improvements and possibilities in the use of TRIPOLI-4 code on fixed source calculations. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Phonons of metallic hydrogen with quantum Monte Carlo

Here, we describe a simple scheme to perform phonon calculations with quantum Monte Carlo (QMC) methods and demonstrate it on metallic hydrogen. Because of the energy and length scales of metallic hydrogen and the statistical noise inherent to QMC methods, the conventional manner of calculating force constants is prohibitively expensive. We show that our alternate approach is nearly 100 times more efficient in resolving the force constants needed to calculate the phonon spectrum in the harmonic approximation. This requires only the calculation of atomic forces, as in the conventional approach, and otherwise little or no programmatic modification.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

A whole-path importance-sampling scheme for Feynman path integral calculations of absolute partition functions and free energies

Using Feynman path integrals, a molecular partition function can be written as a double integral with the inner integral involving all closed paths centered at a given molecular configuration, and the outer integral involving all possible molecular configurations. In previous work employing Monte Carlo methods to evaluate such partition functions, we presented schemes for importance sampling and stratification in the molecular configurations that constitute the path centroids, but we relied on free-particle paths for sampling the path integrals. At low temperatures, the path sampling is expensive because the paths can travel far from the centroid configuration. In this paper, we now present a scheme for importance sampling of whole Feynman paths based on harmonic information from an instantaneous normal mode calculation at the centroid configuration, which we refer to as harmonically guided whole-path importance sampling (WPIS). We obtain paths conforming to our chosen importance function by rejection sampling from a distribution of free-particle paths. Sample calculations on CH 4 demonstrate that at a temperature of 200 K, about 99.9% of the free-particle paths can be rejected without integration, and at 300 K, about 98% can be rejected. Finally, we also show that it is typically possible to reduce the overhead associated with the WPIS scheme by sampling the paths using a significantly lower-order path discretization than that which is needed to converge the partition function.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo

Although liquid water is ubiquitous in chemical reactions at roots of life and climate on the earth, the prediction of its properties by high-level ab initio molecular dynamics simulations still represents a formidable task for quantum chemistry. In this article, we present a room temperature simulation of liquid water based on the potential energy surface obtained by a many-body wave function through quantum Monte Carlo (QMC) methods. The simulated properties are in good agreement with recent neutron scattering and X-ray experiments, particularly concerning the position of the oxygen-oxygen peak in the radial distribution function, at variance of previous density functional theory attempts. Given the excellent performances of QMC on large scale supercomputers, this work opens new perspectives for predictive and reliable ab initio simulations of complex chemical systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Solar flare impulsive phase emission observed with SDO/EVE

Differential emission measures (DEMs) during the impulsive phase of solar flares were constructed using observations from the EUV Variability Experiment (EVE) and the Markov-Chain Monte Carlo method. Emission lines from ions formed over the temperature range log T{sub e} = 5.8-7.2 allow the evolution of the DEM to be studied over a wide temperature range at 10 s cadence. The technique was applied to several M- and X-class flares, where impulsive phase EUV emission is observable in the disk-integrated EVE spectra from emission lines formed up to 3-4 MK and we use spatially unresolved EVE observations to infer the thermal structure of the emitting region. For the nine events studied, the DEMs exhibited a two-component distribution during the impulsive phase, a low-temperature component with peak temperature of 1-2 MK, and a broad high-temperature component from 7 to 30 MK. A bimodal high-temperature component is also found for several events, with peaks at 8 and 25 MK during the impulsive phase. The origin of the emission was verified using Atmospheric Imaging Assembly images to be the flare ribbons and footpoints, indicating that the constructed DEMs represent the spatially average thermal structure of the chromospheric flare emission during the impulsive phase.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

TRIPOLI-4{sup R} version 9 Shielding for the Shielding Community: Overview, Relevant Benchmarking for Shielding and Licensing Policy - Paper 49

This is a review paper of the Shielding only version of TRIPOLI-4. TRIPOLI-4 and TRIPOLI-4 S: TRIPOLI{sup R} represents a family of radiation transport codes using the Monte Carlo method (1,2). It has been continuously developed at CEA since the mid 60's. TRIPOLI-4{sup R}, being the fourth generation, has been developed starting from the mid 90's in C++. It tracks neutrons from 20 MeV down to 10{sup -5} eV, photons, electrons and positrons from 100 MeV to 1 keV, in 3D arbitrary geometries either in TRIPOLI{sup R} proprietary format or ROOT(4) format. It reads its continuous energy nuclear data from any evaluation in ENDF format, including but not limited to JEFF-3.1.1 and ENDF/BVII.0. It has various simulation modes, fixed-source (with or without fission), criticality, or both of them chained. A variety of tallies are available: averaged flux in a volume (track length and collision estimators), surface flux and current, point flux, reaction rates, deposited energy, dpa, pka, gamma spectroscopy, mesh tallies, tallies for criticality (k{sub eff}, beta eff, kinetic parameters). It provides the user with embedded response functions from IRDF and EAF as well. Several variance reduction techniques (3), including automated ones, make it particularly suitable to deep penetration problems (implicit capture, Russian roulette, exponential biasing with automatic estimation of the importance map). It may run in parallel, on single multi-core machines as well as heterogeneous networks of stations or massively parallel machines. It comes with productivity tools designed to speed-up the elaboration and verification of the input deck as well as the output analysis: 2D interactive display of geometry; 2D display of mesh tallies and collision sites; 3D input deck modeler; compatibility with ROOT tools to post-process TRIPOLI{sup R} outputs. Its V and V test base is made of more than 1000 internationally accepted benchmarks from ICSBEP and SINBAD (REPLICA, ASPIS, NESDIP) and covers all its application domains, including several shielding cases which will be detailed in the talk. TRIPOLI-4{sup R} is the reference Monte Carlo code for CEA, EDF, and also for AREVA for a number of applications. A 'Shielding-only' version has been designed to specifically answer the needs of the shielding community. It is distributed through the NEA Databank with a license for R and D, covering the fusion applications, whose terms are detailed in the paper.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2014

Controlling sign problems in spin models using tensor renormalization

We consider the sign problem for classical spin models at complex $\beta =1/g_0^2$ on $L\times L$ lattices. We show that the tensor renormalization group method allows reliable calculations for larger Im$\beta$ than the reweighting Monte Carlo method. For the Ising model with complex $\beta$ we compare our results with the exact Onsager-Kaufman solution at finite volume. The Fisher zeros can be determined precisely with the TRG method. We check the convergence of the TRG method for the O(2) model on $L\times L$ lattices when the number of states $D_s$ increases. We show that the finite size scaling of the calculated Fisher zeros agrees very well with the Kosterlitz-Thouless transition assumption and predict the locations for larger volume. The location of these zeros agree with Monte Carlo reweighting calculation for small volume. The application of the method for the O(2) model with a chemical potential is briefly discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

The optical, ultraviolet, and X-ray structure of the quasar HE 0435–1223

Microlensing has proved an effective probe of the structure of the innermost regions of quasars and an important test of accretion disk models. We present light curves of the lensed quasar HE 0435–1223 in the R band and in the ultraviolet (UV), and consider them together with X-ray light curves in two energy bands that are presented in a companion paper. Using a Bayesian Monte Carlo method, we constrain the size of the accretion disk in the rest-frame near- and far-UV, and constrain for the first time the size of the X-ray emission regions in two X-ray energy bands. The R-band scale size of the accretion disk is about 10{sup 15.23} cm (∼23r{sub g}), slightly smaller than previous estimates, but larger than would be predicted from the quasar flux. In the UV, the source size is weakly constrained, with a strong prior dependence. The UV to R-band size ratio is consistent with the thin disk model prediction, with large error bars. In soft and hard X-rays, the source size is smaller than ∼10{sup 14.8} cm (∼10r{sub g} ) at 95% confidence. We do not find evidence of structure in the X-ray emission region, as the most likely value for the ratio of the hard X-ray size to the soft X-ray size is unity. Finally, we find that the most likely value for the mean mass of stars in the lens galaxy is ∼0.3 M{sub ☉}, consistent with other studies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

EMITTING ELECTRONS SPECTRA AND ACCELERATION PROCESSES IN THE JET OF Mrk 421: FROM THE LOW STATE TO THE GIANT FLARE STATE

We investigate the electron energy distributions (EEDs) and the acceleration processes in the jet of Mrk 421 through fitting the spectral energy distributions (SEDs) in different active states in the frame of a one-zone synchrotron self-Compton model. After assuming two possible EEDs formed in different acceleration models: the shock-accelerated power law with exponential cut-off (PLC) EED and the stochastic-turbulence-accelerated log-parabolic (LP) EED, we fit the observed SEDs of Mrk 421 in both low and giant flare states using the Markov Chain Monte Carlo method which constrains the model parameters in a more efficient way. The results from our calculations indicate that (1) the PLC and LP models give comparably good fits for the SED in the low state, but the variations of model parameters from low state to flaring can be reasonably explained only in the case of the PLC in the low state; and (2) the LP model gives better fits compared to the PLC model for the SED in the flare state, and the intra-day/night variability observed at GeV-TeV bands can be accommodated only in the LP model. The giant flare may be attributed to the stochastic turbulence re-acceleration of the shock-accelerated electrons in the low state. Therefore, we may conclude that shock acceleration is dominant in the low state, while stochastic turbulence acceleration is dominant in the flare state. Moreover, our result shows that the extrapolated TeV spectra from the best-fit SEDs from optical through GeV with the two EEDs are different. It should be considered with caution when such extrapolated TeV spectra are used to constrain extragalactic background light models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Detection of Extraplanar Diffuse Ionized Gas in M83

We present the first kinematic study of extraplanar diffuse ionized gas (eDIG) in the nearby, face-on disk galaxy M83 using optical emission-line spectroscopy from the Robert Stobie Spectrograph on the Southern African Large Telescope. We use a Markov Chain Monte Carlo method to decompose the [N ii]λλ 6548, 6583, Hα, and [S ii]λλ 6717, 6731 emission lines into H ii region and diffuse ionized gas emission. Extraplanar, diffuse gas is distinguished by its emission-line ratios ([N ii]λ6583/Hα ≳ 1.0) and its rotational velocity lag with respect to the disk (Δv=−24 km s{sup −1} in projection). With interesting implications for isotropy, the velocity dispersion of the diffuse gas, σ=96 km s{sup −1}, is a factor of a few higher in M83 than in the Milky Way and nearby, edge-on disk galaxies. The turbulent pressure gradient is sufficient to support the eDIG layer in dynamical equilibrium at an electron scale height of h{sub z}=1 kpc. However, this dynamical equilibrium model must be finely tuned to reproduce the rotational velocity lag. There is evidence of local bulk flows near star-forming regions in the disk, suggesting that the dynamical state of the gas may be intermediate between a dynamical equilibrium and a galactic fountain flow. As one of the first efforts to study eDIG kinematics in a face-on galaxy, this study demonstrates the feasibility of characterizing the radial distribution, bulk velocities, and vertical velocity dispersions in low-inclination systems.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Water vapor distribution in protoplanetary disks

Water vapor has been detected in protoplanetary disks. In this work, we model the distribution of water vapor in protoplanetary disks with a thermo-chemical code. For a set of parameterized disk models, we calculate the distribution of dust temperature and radiation field of the disk with a Monte Carlo method, and then solve the gas temperature distribution and chemical composition. The radiative transfer includes detailed treatment of scattering by atomic hydrogen and absorption by water of Lyα photons, since the Lyα line dominates the UV spectrum of accreting young stars. In a fiducial model, we find that warm water vapor with temperature around 300 K is mainly distributed in a small and well-confined region in the inner disk. The inner boundary of the warm water region is where the shielding of UV field due to dust and water itself become significant. The outer boundary is where the dust temperature drops below the water condensation temperature. A more luminous central star leads to a more extended distribution of warm water vapor, while dust growth and settling tends to reduce the amount of warm water vapor. Based on typical assumptions regarding the elemental oxygen abundance and the water chemistry, the column density of warm water vapor can be as high as 10{sup 22} cm{sup –2}. A small amount of hot water vapor with temperature higher than ∼300 K exists in a more extended region in the upper atmosphere of the disk. Cold water vapor with temperature lower than 100 K is distributed over the entire disk, produced by photodesorption of the water ice.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

A multi-beamlet analysis of the MITICA accelerator

The thermo-mechanical analysis and the mechanical design of the accelerator of MITICA (i.e. the full size prototype of the ITER neutral beam injector under construction at RFX [1]) are based on the calculation of the power deposition induced by particle impacts. This calculation is performed by EAMCC [2], a relativistic particle tracking code based on the Monte-Carlo method for describing collisions inside the accelerator, under prescribed electric and magnetic fields. The magnetic field maps are produced by 3D codes, while the electric field maps come from the 2D axi-symmetric code SLACCAD [3]. In order to perform a multi-beamlet analysis, which allows to take into account the beamlet-beamlet repulsion, and to consider other effects neglected under the hypothesis of axi-symmetric beam, a fully 3D version of the code is required. In this paper, a modified version of EAMCC, fully 3D, capable of modifying the mesh of the 3D maps and of dealing with uneven meshes is presented. A finer mesh is used just in the regions where a more detailed description of the fields is required, for a more realistic simulation. A comparison between the original code and the modified version is presented at first, as a validation of the modifications introduced in the latter. Subsequently, the main results of a single-beamlet analysis performed with the two versions of the code are shown and the differences between the 2D and the 3D simulations discussed. The last part is dedicated to the multi-beamlet simulation of the accelerator.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

THE DYNAMICAL EVOLUTION OF STELLAR BLACK HOLES IN GLOBULAR CLUSTERS

Our current understanding of the stellar initial mass function and massive star evolution suggests that young globular clusters (GCs) may have formed hundreds to thousands of stellar-mass black holes (BHs), the remnants of stars with initial masses from ∼20-100 M {sub ☉}. Birth kicks from supernova explosions may eject some BHs from their birth clusters, but most should be retained. Using a Monte Carlo method we investigate the long-term dynamical evolution of GCs containing large numbers of stellar BHs. We describe numerical results for 42 models, covering a broad range of realistic initial conditions, including up to 1.6 × 10{sup 6} stars. In almost all models we find that significant numbers of BHs (up to ∼10{sup 3}) are retained all the way to the present. This is in contrast to previous theoretical expectations that most BHs should be ejected dynamically within a few gigayears The main reason for this difference is that core collapse driven by BHs (through the Spitzer {sup m}ass segregation instability{sup )} is easily reverted through three-body processes, and involves only a small number of the most massive BHs, while lower-mass BHs remain well-mixed with ordinary stars far from the central cusp. Thus the rapid segregation of stellar BHs does not lead to a long-term physical separation of most BHs into a dynamically decoupled inner core, as often assumed previously. Combined with the recent detections of several BH X-ray binary candidates in Galactic GCs, our results suggest that stellar BHs could still be present in large numbers in many GCs today, and that they may play a significant role in shaping the long-term dynamical evolution and the present-day dynamical structure of many clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Neutrinoless double-β decay: Combining quantum Monte Carlo and the nuclear shell model with the generalized contact formalism

Neutrinoless double beta decay searches can determine the Majorana nature of neutrinos, the absolute neutrino mass, and provide invaluable insights on the matter dominance of the universe. However, the uncertainty in the nuclear matrix elements that govern the decay limits the physics reach of these experiments. Here, we devise a novel framework based on the generalized contact formalism that combines the nuclear shell model and quantum Monte Carlo methods and compute the neutrinoless double-beta decay of nuclei used in the most advanced experiments, including 76 Ge, 130 Te, and 136 Xe. Our results cover all relevant terms, including the leading-order short-range operator recognized recently. We validate our method in light nuclei by comparing against accurate variational Monte Carlo results. On heavy systems we obtain reduced nuclear matrix elements compared with previous calculations due to additional correlations captured by quantum Monte Carlo and introduced within the generalized contact formalism, suggesting longer decay half-lives than previously considered. On the other hand, we find an enhancement of the nuclear matrix elements due to the new short-range operator.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

AGNfitter: a Bayesian MCMC approach to fitting spectral energy distributions of AGNs

We present AGNfitter, a publicly available open-source algorithm implementing a fully Bayesian Markov Chain Monte Carlo method to fit the spectral energy distributions (SEDs) of active galactic nuclei (AGNs) from the sub-millimeter to the UV, allowing one to robustly disentangle the physical processes responsible for their emission. AGNfitter makes use of a large library of theoretical, empirical, and semi-empirical models to characterize both the nuclear and host galaxy emission simultaneously. The model consists of four physical emission components: an accretion disk, a torus of AGN heated dust, stellar populations, and cold dust in star-forming regions. AGNfitter determines the posterior distributions of numerous parameters that govern the physics of AGNs with a fully Bayesian treatment of errors and parameter degeneracies, allowing one to infer integrated luminosities, dust attenuation parameters, stellar masses, and star-formation rates. We tested AGNfitter’s performance on real data by fitting the SEDs of a sample of 714 X-ray selected AGNs from the XMM-COSMOS survey, spectroscopically classified as Type1 (unobscured) and Type2 (obscured) AGNs by their optical–UV emission lines. We find that two independent model parameters, namely the reddening of the accretion disk and the column density of the dusty torus, are good proxies for AGN obscuration, allowing us to develop a strategy for classifying AGNs as Type1 or Type2, based solely on an SED-fitting analysis. Our classification scheme is in excellent agreement with the spectroscopic classification, giving a completeness fraction of ∼86% and ∼70%, and an efficiency of ∼80% and ∼77%, for Type1 and Type2 AGNs, respectively.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

On the determination of phase boundaries via thermodynamic integration across coexistence regions

Specialized Monte Carlo methods are nowadays routinely employed, in combination with thermodynamic integration (TI), to locate phase boundaries of classical many-particle systems. This is especially useful for the fluid-solid transition, where a critical point does not exist and both phases may notoriously go deeply metastable. Using the Lennard-Jones model for demonstration, we hereby investigate on the alternate possibility of tracing reasonably accurate transition lines directly by integrating the pressure equation of state computed in a canonical-ensemble simulation with local moves. The recourse to this method would become a necessity when the stable crystal structure is not known. We show that, rather counterintuitively, metastability problems can be alleviated by reducing (rather than increasing) the size of the system. In particular, the location of liquid-vapor coexistence can exactly be predicted by just TI. On the contrary, TI badly fails in the solid-liquid region, where a better assessment (to within 10% accuracy) of the coexistence pressure can be made by following the expansion, until melting, of the defective solid which has previously emerged from the decay of the metastable liquid.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Evaluation of Rapid for a UNF cask benchmark problem

To ensure criticality safety and maintain a high level of security of Used Nuclear Fuel (UNF), it is necessary to perform detailed Particle Transport simulations. The commonly used technique is the 3-D, continuous energy Monte Carlo method that is time-consuming and, for eigenvalue calculations, may have difficulties with the source convergence. Wenner and Haghighat and Dufek demonstrated that in criticality problems with high dominance ratio and/or under-sampling possibilities, the fission matrix (FM) methodology should be used in order to be able to obtain unbiased solution. The RAPID (Real-time Analysis for Particle transport and In-situ Detection) code system is based on the Multi-stage Response-function Transport (MRT) methodology, and uses the FM formulation to determine eigenvalue, subcritical multiplication and fission density distribution of nuclear systems. This paper uses a benchmark problem similar to the GBC-32 Cask to evaluate the accuracy and performance of RAPID against the results of a reference MCNP solution. We performed a detailed sensitivity analysis on a single-assembly model in order to determine the MCNP eigenvalue parameters necessary to obtain a reliable reference solution. These results provided a guide for the selection of an appropriate set of parameters for the eigenvalue calculation for the whole cask. The paper is organized as follows: initially, the RAPID code system is briefly discussed; then, the benchmark problem is introduced. The methodology used to analyze results is proposed and some of the results of different cases are analyzed to identify the best set of eigenvalue parameters for a reference MCNP calculation. The selected case is then compared with the RAPID calculation for both a single assembly and a full cask model. In the end some conclusions and future work perspectives are drawn.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗