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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 991 records · Page 55

SU-E-T-58: Calculation of Dose Distribution of Accuboost Brachytherapy in Deformable Polyvinil Alcohol Breast Phantom Using Biomechanical Modeling and Monte Carlo Simulation

Purpose: the accuboost is the most modern method of breast brachytherapy that is a boost method in compressed tissue by a mammography unit. the dose distribution in uncompressed tissue, as compressed tissue is important that should be characterized. Methods: In this study, the mechanical behavior of breast in mammography loading, the displacement of breast tissue and the dose distribution in compressed and uncompressed tissue, are investigated. Dosimetry was performed by two dosimeter methods of Monte Carlo simulations using MCNP5 code and thermoluminescence dosimeters. For Monte Carlo simulations, the dose values in cubical lattice were calculated using tally F6. The displacement of the breast elements was simulated by Finite element model and calculated using ABAQUS software, from which the 3D dose distribution in uncompressed tissue was determined. The geometry of the model is constructed from MR images of 6 volunteers. Experimental dosimetery was performed by placing the thermoluminescence dosimeters into the polyvinyl alcohol breast equivalent phantom and on the proximal edge of compression plates to the chest. Results: The results indicate that using the cone applicators would deliver more than 95% of dose to the depth of 5 to 17mm, while round applicator will increase the skin dose. Nodal displacement, in presence of gravity and 60N forces, i.e. in mammography compression, was determined with 43% contraction in the loading direction and 37% expansion in orthogonal orientation. Finally, in comparison of the acquired from thermoluminescence dosimeters with MCNP5, they are consistent with each other in breast phantom and in chest's skin with average different percentage of 13.7±5.7 and 7.7±2.3, respectively. Conclusion: The major advantage of this kind of dosimetry is the ability of 3D dose calculation by FE Modeling. Finally, polyvinyl alcohol is a reliable material as a breast tissue equivalent dosimetric phantom that provides the ability of TLD dosimetry for validation.

60 APPLIED LIFE SCIENCES↗

Study on space charge compensation in negative hydrogen ion beam

Negative hydrogen ion beam can be compensated by the trapping of ions into the beam potential. When the beam propagates through a neutral gas, these ions arise due to gas ionization by the beam ions. However, the high neutral gas pressure may cause serious negative hydrogen ion beam loss, while low neutral gas pressure may lead to ion-ion instability and decompensation. To better understand the space charge compensation processes within a negative hydrogen beam, experimental study and numerical simulation were carried out at Peking University (PKU). The simulation code for negative hydrogen ion beam is improved from a 2D particle-in-cell-Monte Carlo collision code which has been successfully applied to H{sup +} beam compensated with Ar gas. Impacts among ions, electrons, and neutral gases in negative hydrogen beam compensation processes are carefully treated. The results of the beam simulations were compared with current and emittance measurements of an H{sup −} beam from a 2.45 GHz microwave driven H{sup −} ion source in PKU. Compensation gas was injected directly into the beam transport region to modify the space charge compensation degree. The experimental results were in good agreement with the simulation results.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

ORNL’s Continuing Efforts in Evaluating and Validating TSLs [Slides]

This presentation finds that INS measurements are not as variable based on sample composition, because phonon spectra is a properly of the bulk material. Additionally, INS and transmission measurements are and should be the most significant part of TSL validation, as they are the fundamental quantities used by Monte Carlo neutronics codes. This presentation reasons that relaying solely on theoretical atomistic calculations for TSL evaluation is not enough, they are highly dependent on inter-atomic potentials (which are not the most accurate depending on the quantity trying to be reproduced) and evaluators knowledge and understanding of the material being studied. Finally on Critical benchmarks, while extremely useful for validation of nuclear data at all energies, critical benchmarks are not the best tool to provide a definitive answer on conflicting TSLs. The presentation concludes that INS and transmission measurements need to be the basis of validation of TSLs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Temporal parallelization of edge plasma simulations using the parareal algorithm and the SOLPS code

We show that numerical modelling of edge plasma physics may be successfully parallelized in time. The parareal algorithm has been employed for this purpose and the SOLPS code package coupling the B2.5 finite-volume fluid plasma solver with the kinetic Monte-Carlo neutral code Eirene has been used as a test bed. The complex dynamics of the plasma and neutrals in the scrape-off layer (SOL) region makes this a unique application. It is demonstrated that a significant computational gain (more than an order of magnitude) may be obtained with this technique. The use of the IPS framework for event-based parareal implementation optimizes resource utilization and has been shown to significantly contribute to the computational gain.

97 MATHEMATICS AND COMPUTING↗

SERPENT 2 and TRIPOLI-4 neutronics benchmarking of the Jules Horowitz reactor

Jules Horowitz Reactor (JHR) is a future center for nuclear material testing in Europe, currently under construction at CEA Cadarache in southern France. It has been modelled extensively with CEA's HORUS3D/N neutron calculation package, that includes a Monte-Carlo neutron transport code TRIPOLI-4. In order to support the future computational analyses on the reactor core physics, VTT's Monte Carlo neutronics code SERPENT 2 has been used to create an alternative model of the JHR, taking advantage of the pre-existing Constructive Solid Geometry (CSG) structures on which the TRIPOLI-4 model was built. This work describes a benchmark, in which two JHR core configurations were analyzed using both of these models. The first configuration is a fresh fuel core at the beginning of life, in which aluminum based dummy-devices are installed in the reactor test positions. The second configuration represents the end-of-cycle equilibrium core with a heterogeneous burnup distribution, in which CALIPSO devices containing cladding material samples are installed at the in-core experimental positions, while the reflector positions are occupied by DEN-REP devices containing UO{sub 2} fuel. Neutron flux spectra and heat deposition are the parameters of interest in this study, due to their high importance in creating the desired experimental irradiation environment. The impact of delayed gamma energy deposition will be studied in detail, since the two models account for it with different methods. This work aims to establish a SERPENT 2 model of JHR, understanding its differences and agreements with TRIPOLI-4, and discussing its potential future applications. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

An Expanded Criticality Validation Suite for MCNP [Slides]

The Expanded Validation Suite provides a significant advance in the quality assurance and verification/ validation of MCNP for criticality problems. The careful selection of Handbook benchmark problems that span the expected application space provides the required broad coverage of code applicability. For validation purposes, it is expected that the suite will be used with different cross section libraries, e.g., ENDF/B-VII.1, to broadly assess the impact of library improvements. For practitioners, the suite may also serve as a starting point for validating MCNP and its data libraries for their specific applications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

MCNP6 enhancements of delayed-particle production

Over the last decade, there has been an increased interest in the production of delayed-particle signatures from neutron and photon interactions with matter. To address this interest, various radiation transport codes have developed a wide range of delayed-particle physics packages. With the recent merger of the Monte Carlo transport codes MCNP5 and MCNPX, MCNP6 inherited the comprehensive model-based delayed-particle production capabilities developed in MCNPX over the last few years. An integral part of this capability consists of the depletion code CINDER90 which was incorporated into MCNPX in 2004. During this last year, significant improvements have been made to the MCNP6 physics and algorithms associated with delayed-particle production, including the development of a delayed-beta capability, an algorithm enhancement for the delayed-neutron treatment, and a database enhancement for delayed-gamma emission. The delayed-beta feature represents an important component in modeling background signals produced by active interrogation sources. Combined, these improvements provide MCNP6 with a flexible state-of-the-art physics package for generating high-fidelity signatures from fission and activation. This paper provides details of these enhancements and presents results for a variety of fission and activation examples. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Simulation of BF{sub 3} plasma immersion ion implantation into silicon

Plasma immersion ion implantation from a BF{sub 3} plasma into crystalline (100) silicon was performed using the PULSION plasma doping tool. Implanted boron profiles were measured with the SIMS method and simulated using models with different levels of sophistication. The physical implantation model is based on an analytical energy distribution for ions from the plasma and uses a Monte-Carlo simulation code. An analytical model of plasma immersion ion implantation that assumes a uniform and isotropic implantation was implemented in a software module called IMP3D. The functionality of this module which was initially envisaged for the three-dimensional simulation of conventional ion implantation was extended to plasma immersion ion implantation and examples of 2D and 3D simulations from this are presented.

36 MATERIALS SCIENCE↗

SU-E-T-241: Monte Carlo Simulation Study About the Prediction of Proton-Induced DNA Strand Breakage On the Double Helix Structure

Purpose: In particle therapy and radiobiology, the investigation of mechanisms leading to the death of target cancer cells induced by ionising radiation is an active field of research. Recently, several studies based on Monte Carlo simulation codes have been initiated in order to simulate physical interactions of ionising particles at cellular scale and in DNA. Geant4-DNA is the one of them; it is an extension of the general purpose Geant4 Monte Carlo simulation toolkit for the simulation of physical interactions at sub-micrometre scale. In this study, we present Geant4-DNA Monte Carlo simulations for the prediction of DNA strand breakage using a geometrical modelling of DNA structure. Methods: For the simulation of DNA strand breakage, we developed a specific DNA geometrical structure. This structure consists of DNA components, such as the deoxynucleotide pairs, the DNA double helix, the nucleosomes and the chromatin fibre. Each component is made of water because the cross sections models currently available in Geant4-DNA for protons apply to liquid water only. Also, at the macroscopic-scale, protons were generated with various energies available for proton therapy at the National Cancer Center, obtained using validated proton beam simulations developed in previous studies. These multi-scale simulations were combined for the validation of Geant4-DNA in radiobiology. Results: In the double helix structure, the deposited energy in a strand allowed to determine direct DNA damage from physical interaction. In other words, the amount of dose and frequency of damage in microscopic geometries was related to direct radiobiological effect. Conclusion: In this report, we calculated the frequency of DNA strand breakage using Geant4- DNA physics processes for liquid water. This study is now on-going in order to develop geometries which use realistic DNA material, instead of liquid water. This will be tested as soon as cross sections for DNA material become available in Geant4-DNA.

60 APPLIED LIFE SCIENCES↗

Monte Carlo simulation of proton track structure in biological matter

Here, understanding the radiation-induced effects at the cellular and subcellular levels remains crucial for predicting the evolution of irradiated biological matter. In this context, Monte Carlo track-structure simulations have rapidly emerged among the most suitable and powerful tools. However, most existing Monte Carlo track-structure codes rely heavily on the use of semi-empirical cross sections as well as water as a surrogate for biological matter. In the current work, we report on the up-to-date version of our homemade Monte Carlo code TILDA-V – devoted to the modeling of the slowing-down of 10 keV–100 MeV protons in both water and DNA – where the main collisional processes are described by means of an extensive set of ab initio differential and total cross sections.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Yankee Rowe isotopics benchmark using MCNP-XT

The Yankee Rowe spent fuel isotopic data provides a valuable source to benchmark the burnup calculations as part of verification and validation (V and V) efforts for the TerraPower's Monte Carlo depletion code, MCNP-XT. A total of 71 fuel rods were selected in the Yankee Rowe isotopic measurements covering a burnup range up to 44 MWd/kg ({approx}4.4%) under both the asymptotic spectrum and the non-asymptotic spectrum. The MCNP-XT pin cell depletion provides a comparison against the asymptotic spectrum measurement; and full assembly depletion with 322 depletion materials provides comparisons against various non-asymptotic depletion conditions. All calculations are performed based on the recent ENDF/B-VII.O data. Furthermore, the Monte Carlo depletion uncertainties and biases were examined showing their effect as insignificant. The set of burnup calculations cover the scattered experimental measurements demonstrating excellent agreement with the measured values. This benchmark exercise demonstrates the depletion analysis capability of the MCNP-XT code and validates the low burnup range. (authors)

97 MATHEMATICS AND COMPUTING↗

CEFR simulation using diffusion code system RAST-F

In this study, the RAST-F code system, which is based on the two-step approach that couples a multi-group cross-section generation Monte-Carlo (MC) code and a multi-group nodal diffusion solver, was used for the neutronic simulation of the CEFR start-up experiments. The numerical solution of the RAST-F system was verified against the full core MC solution MCS at all control rods fully inserted and withdrawn states. The RAST-F solution of the selected experimental simulations was compared against the measurement data. A good agreement between RAST-F and MCS solutions was observed with less than 120 pcm discrepancies and 1.2% root-mean-square error in terms of k{sub eff} and power distribution, respectively. Meanwhile, the RAST-F result agreed well with the experimental data within two-sigma of experimental uncertainty. The good agreement of these results indicates that RAST-F can be used to neutronic steady-state simulations for small core-size SFR, which was challenged to deterministic code systems. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Uncertainty Determination for Aeroheating in Uranus and Saturn Probe Entries by the Monte Carlo Method

The 2013-2022 Decaedal survey for planetary exploration has identified probe missions to Uranus and Saturn as high priorities. This work endeavors to examine the uncertainty for determining aeroheating in such entry environments. Representative entry trajectories are constructed using the TRAJ software. Flowfields at selected points on the trajectories are then computed using the Data Parallel Line Relaxation (DPLR) Computational Fluid Dynamics Code. A Monte Carlo study is performed on the DPLR input parameters to determine the uncertainty in the predicted aeroheating, and correlation coefficients are examined to identify which input parameters show the most influence on the uncertainty. A review of the present best practices for input parameters (e.g. transport coefficient and vibrational relaxation time) is also conducted. It is found that the 2(sigma) - uncertainty for heating on Uranus entry is no more than 2.1%, assuming an equilibrium catalytic wall, with the uncertainty being determined primarily by diffusion and H(sub 2) recombination rate within the boundary layer. However, if the wall is assumed to be partially or non-catalytic, this uncertainty may increase to as large as 18%. The catalytic wall model can contribute over 3x change in heat flux and a 20% variation in film coefficient. Therefore, coupled material response/fluid dynamic models are recommended for this problem. It was also found that much of this variability is artificially suppressed when a constant Schmidt number approach is implemented. Because the boundary layer is reacting, it is necessary to employ self-consistent effective binary diffusion to obtain a correct thermal transport solution. For Saturn entries, the 2(sigma) - uncertainty for convective heating was less than 3.7%. The major uncertainty driver was dependent on shock temperature/velocity, changing from boundary layer thermal conductivity to diffusivity and then to shock layer ionization rate as velocity increases. While radiative heating for Uranus entry was negligible, the nominal solution for Saturn computed up to 20% radiative heating at the highest velocity examined. The radiative heating followed a non-normal distribution, with up to a 3x variation in magnitude. This uncertainty is driven by the H(sub 2) dissociation rate, as H(sub 2) that persists in the hot non-equilibrium zone contributes significantly to radiation.

Palmer, Grant↗

MO-FG-CAMPUS-TeP3-02: Benchmarks of a Proton Relative Biological Effectiveness (RBE) Model for DNA Double Strand Break (DSB) Induction in the FLUKA, MCNP, TOPAS, and RayStation™ Treatment Planning System

Purpose: Validate implementation of a published RBE model for DSB induction (RBEDSB) in several general purpose Monte Carlo (MC) code systems and the RayStation™ treatment planning system (TPS). For protons and other light ions, DSB induction is a critical initiating molecular event that correlates well with the RBE for cell survival. Methods: An efficient algorithm to incorporate information on proton and light ion RBEDSB from the independently tested Monte Carlo Damage Simulation (MCDS) has now been integrated into MCNP (Stewart et al. PMB 60, 8249–8274, 2015), FLUKA, TOPAS and a research build of the RayStation™ TPS. To cross-validate the RBEDSB model implementation LET distributions, depth-dose and lateral (dose and RBEDSB) profiles for monodirectional monoenergetic (100 to 200 MeV) protons incident on a water phantom are compared. The effects of recoil and secondary ion production ({sub 2}H{sub +}, {sub 3}H{sub +}, {sub 3}He{sub 2+}, {sub 4}He{sub 2+}), spot size (3 and 10 mm), and transport physics on beam profiles and RBEDSB are examined. Results: Depth-dose and RBEDSB profiles among all of the MC models are in excellent agreement using a 1 mm distance criterion (width of a voxel). For a 100 MeV proton beam (10 mm spot), RBEDSB = 1.2 ± 0.03 (− 2–3%) at the tip of the Bragg peak and increases to 1.59 ± 0.3 two mm distal to the Bragg peak. RBEDSB tends to decrease as the kinetic energy of the incident proton increases. Conclusion: The model for proton RBEDSB has been accurately implemented into FLUKA, MCNP, TOPAS and the RayStation™TPS. The transport of secondary light ions (Z > 1) has a significant impact on RBEDSB, especially distal to the Bragg peak, although light ions have a small effect on (dosexRBEDSB) profiles. The ability to incorporate spatial variations in proton RBE within a TPS creates new opportunities to individualize treatment plans and increase the therapeutic ratio. Dr. Erik Traneus is employed full-time as a Research Scientist at RaySearch Laboratories. The research build of the RayStation used in the study was made available to the University of Washington free of charge. RaySearch Laboratories did not provide any monetary support for the reported studies.

60 APPLIED LIFE SCIENCES↗

NAS Experiences of Porting CM Fortran Codes to HPF on IBM SP2 and SGI Power Challenge

Current Connection Machine (CM) Fortran codes developed for the CM-2 and the CM-5 represent an important class of parallel applications. Several users have employed CM Fortran codes in production mode on the CM-2 and the CM-5 for the last five to six years, constituting a heavy investment in terms of cost and time. With Thinking Machines Corporation's decision to withdraw from the hardware business and with the decommissioning of many CM-2 and CM-5 machines, the best way to protect the substantial investment in CM Fortran codes is to port the codes to High Performance Fortran (HPF) on highly parallel systems. HPF is very similar to CM Fortran and thus represents a natural transition. Conversion issues involved in porting CM Fortran codes on the CM-5 to HPF are presented. In particular, the differences between data distribution directives and the CM Fortran Utility Routines Library, as well as the equivalent functionality in the HPF Library are discussed. Several CM Fortran codes (Cannon algorithm for matrix-matrix multiplication, Linear solver Ax=b, 1-D convolution for 2-D datasets, Laplace's Equation solver, and Direct Simulation Monte Carlo (DSMC) codes have been ported to Subset HPF on the IBM SP2 and the SGI Power Challenge. Speedup ratios versus number of processors for the Linear solver and DSMC code are presented.

Saini, Subhash↗

Monte Carlo capabilities of the SCALE code system

SCALE is a broadly used suite of tools for nuclear systems modeling and simulation that provides comprehensive, verified and validated, user-friendly capabilities for criticality safety, reactor physics, radiation shielding, and sensitivity and uncertainty analysis. For more than 30 years, regulators, licensees, and research institutions around the world have used SCALE for nuclear safety analysis and design. SCALE provides a “plug-and-play” framework that includes three deterministic and three Monte Carlo radiation transport solvers that can be selected based on the desired solution, including hybrid deterministic/Monte Carlo simulations. SCALE includes the latest nuclear data libraries for continuous-energy and multigroup radiation transport as well as activation, depletion, and decay calculations. SCALE’s graphical user interfaces assist with accurate system modeling, visualization, and convenient access to desired results. SCALE 6.2 will provide several new capabilities and significant improvements in many existing features, especially with expanded continuous-energy Monte Carlo capabilities for criticality safety, shielding, depletion, and sensitivity and uncertainty analysis. Finally, an overview of the Monte Carlo capabilities of SCALE is provided here, with emphasis on new features for SCALE 6.2.

97 MATHEMATICS AND COMPUTING↗

Monte Carlo Analysis of Pion Contribution to Absorbed Dose from Galactic Cosmic Rays

Accurate knowledge of the physics of interaction, particle production and transport is necessary to estimate the radiation damage to equipment used on spacecraft and the biological effects of space radiation. For long duration astronaut missions, both on the International Space Station and the planned manned missions to Moon and Mars, the shielding strategy must include a comprehensive knowledge of the secondary radiation environment. The distribution of absorbed dose and dose equivalent is a function of the type, energy and population of these secondary products. Galactic cosmic rays (GCR) comprised of protons and heavier nuclei have energies from a few MeV per nucleon to the ZeV region, with the spectra reaching flux maxima in the hundreds of MeV range. Therefore, the MeV - GeV region is most important for space radiation. Coincidentally, the pion production energy threshold is about 280 MeV. The question naturally arises as to how important these particles are with respect to space radiation problems. The space radiation transport code, HZETRN (High charge (Z) and Energy TRaNsport), currently used by NASA, performs neutron, proton and heavy ion transport explicitly, but it does not take into account the production and transport of mesons, photons and leptons. In this paper, we present results from the Monte Carlo code MCNPX (Monte Carlo N-Particle eXtended), showing the effect of leptons and mesons when they are produced and transported in a GCR environment.

Aghara, S.K.↗