Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Monte Carlo Code”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Technical Note: Influence of the phantom material on the absorbed-dose energy dependence of the EBT3 radiochromic film for photons in the energy range 3 keV–18 MeV

Purpose: Water is the reference medium for radiation therapy dosimetry, but for film dosimetry it is more practical to use a solid phantom. As the composition of solid phantoms differs from that of water, the energy dependence of film exposed within solid phantoms may also differ. The energy dependence of a radiochromic film for a given beam quality Q (energy for monoenergetic beams) has two components: the intrinsic energy dependence and the absorbed-dose energy dependence f(Q), the latter of which can be calculated through a Monte Carlo simulation of radiation transport. The authors used Monte Carlo simulations to study the influence of the phantom material on the f(Q) of the EBT3 radiochromic film (Ashland Specialty Ingredients, Wayne, NJ) for photon beams with energies between 3 keV and 18 MeV. Methods: All simulations were carried out with the general-purpose Monte Carlo code PENELOPE 2011. The geometrical model consisted of a cylindrical phantom, with the film positioned at different depths depending on the initial photon energy. The authors simulated monoenergetic parallel photon beams and x-ray beams from a superficial therapy system. To validate their choice of simulation parameters, they also calculated f(Q) for older film models, EBT and EBT2, comparing with published results. In addition to water, they calculated f(Q) of the EBT3 film for solid phantom materials commonly used for film dosimetry: RW1 and RW3 (PTW-Freiburg, Freiburg, Germany), Solid Water (Gammex-RMI, Madison, WI), and PMMA. Finally, they combined their calculated f(Q) with published overall energy response data to obtain the intrinsic energy dependence of the EBT3 film in water. Results: The calculated f(Q) for EBT and EBT2 films was statistically compatible with previously published data. Between 10 keV and 18 MeV, the variation found in f(Q) of the EBT3 film for water was within 2.3%, with a standard statistical uncertainty less than 1%. If the quantity dose-to-water in the phantom is considered, which is the common practice in radiation dosimetry, the maximum difference of energy dependence for the solid phantoms with respect to water is about 6%, at an energy of 50 keV. Conclusions: The EBT3 film shows a reasonably constant absorbed-dose energy dependence when irradiated in water. If the dose-to-water in the phantom is considered, the maximum difference of EBT3 film energy dependence with the solid phantoms studied with respect to water is about 6% (at an energy of 50 keV). The reported overall energy dependence of the EBT3 film in water at energies below 100 keV is mainly due to the intrinsic energy dependence.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2012

Testicular Doses in Image-Guided Radiotherapy of Prostate Cancer

Purpose: To investigate testicular doses contributed by kilovoltage cone-beam computed tomography (kVCBCT) during image-guided radiotherapy (IGRT) of prostate cancer. Methods and Materials: An EGS4 Monte Carlo code was used to calculate three-dimensional dose distributions from kVCBCT on 3 prostate cancer patients. Absorbed doses to various organs were compared between intensity-modulated radiotherapy (IMRT) treatments and kVCBCT scans. The impact of CBCT scanning mode, kilovoltage peak energy (kVp), and CBCT field span on dose deposition to testes and other organs was investigated. Results: In comparison with one 10-MV IMRT treatment, a 125-kV half-fan CBCT scan delivered 3.4, 3.8, 4.1, and 5.7 cGy to the prostate, rectum, bladder, and femoral heads, respectively, accounting for 1.7%, 3.2%, 3.2%, and 8.4% of megavoltage photon dose contributions. However, the testes received 2.9 cGy from the same CBCT scan, a threefold increase as compared with 0.7 cGy received during IMRT. With the same kVp, full-fan mode deposited much less dose to organs than half-fan mode, ranging from 9% less for prostate to 69% less for testes, except for rectum, where full-fan mode delivered 34% more dose. As photon beam energy increased from 60 to 125 kV, kVCBCT-contributed doses increased exponentially for all organs, irrespective of scanning mode. Reducing CBCT field span from 30 to 10 cm in the superior-inferior direction cut testicular doses from 5.7 to 0.2 cGy in half-fan mode and from 1.5 to 0.1 cGy in full-fan mode. Conclusions: Compared with IMRT, kVCBCT-contributed doses to the prostate, rectum, bladder, and femoral heads are clinically insignificant, whereas dose to the testes is threefold more. Full-fan CBCT usually deposits much less dose to organs (except for rectum) than half-fan mode in prostate patients. Kilovoltage CBCT-contributed doses increase exponentially with photon beam energy. Reducing CBCT field significantly cuts doses to testes and other organs.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2012

Evaluation of hybrid depth scanning for carbon-ion radiotherapy

Purpose: In radiotherapy with a scanned carbon-ion beam, its Bragg peak is shifted along the depth direction either by inserting the range shifter plates or by changing the beam-extraction energy of a synchrotron. In the former technique (range shifter scanning: RS), the range shifter plates broaden the beam size and produce secondary fragments through nuclear reactions. In the latter technique (active-energy scanning: ES), it may take several seconds to change the beam energy depending on the synchrotron operation cycle, leading to a long treatment time. The authors propose a hybrid depth scan technique (hybrid scanning: HS), where several beam energies are used in conjunction with the range shifter plates for finer range shift. In this study, HS is evaluated from the viewpoints of dose distribution and treatment time. Methods: Assuming realistic accelerator and beam-delivery systems, the authors performed computer simulations using GEANT4 Monte Carlo code for beam modeling and a treatment planning system to evaluate HS. Three target volumes with the same dimensions of 60 x 60 x 60 mm{sup 3} were generated at depths of 45, 85, and 125 mm in water phantom, and uniform clinical dose was planned for these targets. The sizes of lateral dose falloff and the peak to plateau ratio defined as the ratio of the clinical dose averaged over the target to the clinical dose at the entrance as well as the treatment time were compared among the three depth scan techniques. Results: The sizes of lateral dose falloffs at the center of SOBP are 11.4, 8.5, and 5.9 mm for the three targets in RS, while they are 5.7, 4.8, and 4.6 mm in ES and 6.6, 5.7, and 5.0 mm in HS, respectively. The peak to plateau ratios are 1.39, 1.96, and 2.15 in RS, while they are 1.48, 2.04, and 2.19 in ES and 1.47, 2.03, and 2.18 in HS, respectively. The treatment times are 128.7, 128.6, and 128.6 s in ES, while they are 61.2, 54.6, and 47.8 s in RS and 43.2, 44.1, and 44.7 s in HS, respectively. The multiple scattering and the nuclear reaction by range shifter degraded the beam qualities such as lateral dose falloff and peak to plateau ratio, which was especially pronounced for the shallow target in RS. The depth scan timing was limited by accelerator cycle in ES. That increased the treatment time by a few times. Conclusions: This study revealed that HS can provide dose distributions with steeper lateral dose falloffs and higher peak to plateau ratio comparing to RS and comparable to ES. In addition, the treatment time can be considerably reduced in HS compared to ES.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

SU-E-T-46: A Monte Carlo Investigation of Radiation Interactions with Gold Nanoparticles in Water for 6 MV, 85 KeV and 40 KeV Photon Beams

Purpose: To determine the effect of gold-nanoparticles (AuNPs) on energy deposition in water for different irradiation conditions. Methods: TOPAS version B12 Monte Carlo code was used to simulate energy deposition in water from monoenergetic 40 keV and 85 keV photon beams and a 6 MV Varian Clinac photon beam (IAEA phase space file, 10x10 cm{sup 2}, SSD 100 cm). For the 40 and 85 keV beams, monoenergetic 2x2 mm{sup 2} parallel beams were used to irradiate a 30x30x10 µm {sup 3} water mini-phantom located at 1.5 cm depth in a 30x30x50 cm{sup 3} water phantom. 5000 AuNPs of 50 nm diameter were randomly distributed inside the mini-phantom. Energy deposition was scored in the mini-phantom with the AuNPs’ material set to gold and then water. For the 6 MV beam, we created another phase space (PHSP) file on the surface of a 2 mm diameter sphere located at 1.5 cm depth in the water phantom. The PHSP file consisted of all particles entering the sphere including backscattered particles. Simulations were then performed using the new PHSP as the source with the mini-phantom centered in a 2 mm diameter water sphere in vacuum. The g4em-livermore reference list was used with “EMRangeMin/EMRangeMax = 100 eV/7 MeV” and “SetProductionCutLowerEdge = 990 eV” to create the new PHSP, and “SetProductionCutLowerEdge = 100 eV” for the mini-phantom simulations. All other parameters were set as defaults (“finalRange = 100 µm”). Results: The addition of AuNPs resulted in an increase in the mini-phantom energy deposition of (7.5 ± 8.7)%, (1.6 ± 8.2)%, and (−0.6 ± 1.1)% for 40 keV, 85 keV and 6 MV beams respectively. Conclusion: Enhanced energy deposition was seen at low photon energies, but decreased with increasing energy. No enhancement was observed for the 6 MV beam. Future work is required to decrease the statistical uncertainties in the simulations. This research is partially supported from institutional funds from the Center for Radiation Oncology Research, The University of Texas MD Anderson Cancer Center.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Dosimetric commissioning and quality assurance of scanned ion beams at the Italian National Center for Oncological Hadrontherapy

Purpose: To describe the dosimetric commissioning and quality assurance (QA) of the actively scanned proton and carbon ion beams at the Italian National Center for Oncological Hadrontherapy. Methods: The laterally integrated depth-dose-distributions (IDDs) were acquired with the PTW Peakfinder, a variable depth water column, equipped with two Bragg peak ionization chambers. FLUKA Monte Carlo code was used to generate the energy libraries, the IDDs in water, and the fragment spectra for carbon beams. EBT3 films were used for spot size measurements, beam position over the scan field, and homogeneity in 2D-fields. Beam monitor calibration was performed in terms of number of particles per monitor unit using both a Farmer-type and an Advanced Markus ionization chamber. The beam position at the isocenter, beam monitor calibration curve, dose constancy in the center of the spread-out-Bragg-peak, dose homogeneity in 2D-fields, beam energy, spot size, and spot position over the scan field are all checked on a daily basis for both protons and carbon ions and on all beam lines. Results: The simulated IDDs showed an excellent agreement with the measured experimental curves. The measured full width at half maximum (FWHM) of the pencil beam in air at the isocenter was energy-dependent for both particle species: in particular, for protons, the spot size ranged from 0.7 to 2.2 cm. For carbon ions, two sets of spot size are available: FWHM ranged from 0.4 to 0.8 cm (for the smaller spot size) and from 0.8 to 1.1 cm (for the larger one). The spot position was accurate to within ±1 mm over the whole 20 × 20 cm{sup 2} scan field; homogeneity in a uniform squared field was within ±5% for both particle types at any energy. QA results exceeding tolerance levels were rarely found. In the reporting period, the machine downtime was around 6%, of which 4.5% was due to planned maintenance shutdowns. Conclusions: After successful dosimetric beam commissioning, quality assurance measurements performed during a 24-month period show very stable beam characteristics, which are therefore suitable for performing safe and accurate patient treatments.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Dose response of selected solid state detectors in applied homogeneous transverse and longitudinal magnetic fields

Purpose: MR-Linac devices under development worldwide will require standard calibration, commissioning, and quality assurance. Solid state radiation detectors are often used for dose profiles and percent depth dose measurements. The dose response of selected solid state detectors is therefore evaluated in varying transverse and longitudinal magnetic fields for this purpose. Methods: The Monte Carlo code PENELOPE was used to model irradiation of a PTW 60003 diamond detector and IBA PFD diode detector in the presence of a magnetic field. The field itself was varied in strength, and oriented both transversely and longitudinally with respect to the incident photon beam. The long axis of the detectors was oriented either parallel or perpendicular to the photon beam. The dose to the active volume of each detector in air was scored, and its ratio to dose with zero magnetic field strength was determined as the “dose response” in magnetic field. Measurements at low fields for both detectors in transverse magnetic fields were taken to evaluate the accuracy of the simulations. Additional simulations were performed in a water phantom to obtain few representative points for beam profile and percent depth dose measurements. Results: Simulations show significant dose response as a function of magnetic field in transverse field geometries. This response can be near 20% at 1.5 T, and it is highly dependent on the detectors’ relative orientation to the magnetic field, the energy of the photon beam, and detector composition. Measurements at low transverse magnetic fields verify the simulations for both detectors in their relative orientations to radiation beam. Longitudinal magnetic fields, in contrast, show little dose response, rising slowly with magnetic field, and reaching 0.5%–1% at 1.5 T regardless of detector orientation. Water tank and in air simulation results were the same within simulation uncertainty where lateral electronic equilibrium is present and expectedly differed at the beam edge in transverse field orientations only. Due to the difference in design, the two detectors behaved differently. Conclusions: When transverse magnetic fields are present, great care must be taken when using diamond or diode detectors. Dose response varies with relative detector orientation, magnetic field strength, and between detectors. This response can be considerable (∼20% for both detectors). Both detectors in longitudinal fields exhibit little to no dose response as a function of magnetic field. Water tank simulations seem to suggest that the diode detector is better suited to general beam commissioning, and each detector must be investigated separately.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2015

Radiation doses in volume-of-interest breast computed tomography—A Monte Carlo simulation study

Purpose: Cone beam breast computed tomography (breast CT) with true three-dimensional, nearly isotropic spatial resolution has been developed and investigated over the past decade to overcome the problem of lesions overlapping with breast anatomical structures on two-dimensional mammographic images. However, the ability of breast CT to detect small objects, such as tissue structure edges and small calcifications, is limited. To resolve this problem, the authors proposed and developed a volume-of-interest (VOI) breast CT technique to image a small VOI using a higher radiation dose to improve that region’s visibility. In this study, the authors performed Monte Carlo simulations to estimate average breast dose and average glandular dose (AGD) for the VOI breast CT technique. Methods: Electron–Gamma-Shower system code-based Monte Carlo codes were used to simulate breast CT. The Monte Carlo codes estimated were validated using physical measurements of air kerma ratios and point doses in phantoms with an ion chamber and optically stimulated luminescence dosimeters. The validated full cone x-ray source was then collimated to simulate half cone beam x-rays to image digital pendant-geometry, hemi-ellipsoidal, homogeneous breast phantoms and to estimate breast doses with full field scans. 13-cm in diameter, 10-cm long hemi-ellipsoidal homogeneous phantoms were used to simulate median breasts. Breast compositions of 25% and 50% volumetric glandular fractions (VGFs) were used to investigate the influence on breast dose. The simulated half cone beam x-rays were then collimated to a narrow x-ray beam with an area of 2.5 × 2.5 cm{sup 2} field of view at the isocenter plane and to perform VOI field scans. The Monte Carlo results for the full field scans and the VOI field scans were then used to estimate the AGD for the VOI breast CT technique. Results: The ratios of air kerma ratios and dose measurement results from the Monte Carlo simulation to those from the physical measurements were 0.97 ± 0.03 and 1.10 ± 0.13, respectively, indicating that the accuracy of the Monte Carlo simulation was adequate. The normalized AGD with VOI field scans was substantially reduced by a factor of about 2 over the VOI region and by a factor of 18 over the entire breast for both 25% and 50% VGF simulated breasts compared with the normalized AGD with full field scans. The normalized AGD for the VOI breast CT technique can be kept the same as or lower than that for a full field scan with the exposure level for the VOI field scan increased by a factor of as much as 12. Conclusions: The authors’ Monte Carlo estimates of normalized AGDs for the VOI breast CT technique show that this technique can be used to markedly increase the dose to the breast and thus the visibility of the VOI region without increasing the dose to the breast. The results of this investigation should be helpful for those interested in using VOI breast CT technique to image small calcifications with dose concern.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

Investigation of various energy deposition kernel refinements for the convolution/superposition method

Purpose: Several simplifications used in clinical implementations of the convolution/superposition (C/S) method, specifically, density scaling of water kernels for heterogeneous media and use of a single polyenergetic kernel, lead to dose calculation inaccuracies. Although these weaknesses of the C/S method are known, it is not well known which of these simplifications has the largest effect on dose calculation accuracy in clinical situations. The purpose of this study was to generate and characterize high-resolution, polyenergetic, and material-specific energy deposition kernels (EDKs), as well as to investigate the dosimetric impact of implementing spatially variant polyenergetic and material-specific kernels in a collapsed cone C/S algorithm.Methods: High-resolution, monoenergetic water EDKs and various material-specific EDKs were simulated using the EGSnrc Monte Carlo code. Polyenergetic kernels, reflecting the primary spectrum of a clinical 6 MV photon beam at different locations in a water phantom, were calculated for different depths, field sizes, and off-axis distances. To investigate the dosimetric impact of implementing spatially variant polyenergetic kernels, depth dose curves in water were calculated using two different implementations of the collapsed cone C/S method. The first method uses a single polyenergetic kernel, while the second method fully takes into account spectral changes in the convolution calculation. To investigate the dosimetric impact of implementing material-specific kernels, depth dose curves were calculated for a simplified titanium implant geometry using both a traditional C/S implementation that performs density scaling of water kernels and a novel implementation using material-specific kernels.Results: For our high-resolution kernels, we found good agreement with the Mackie et al. kernels, with some differences near the interaction site for low photon energies (<500 keV). For our spatially variant polyenergetic kernels, we found that depth was the most dominant factor affecting the pattern of energy deposition; however, the effects of field size and off-axis distance were not negligible. For the material-specific kernels, we found that as the density of the material increased, more energy was deposited laterally by charged particles, as opposed to in the forward direction. Thus, density scaling of water kernels becomes a worse approximation as the density and the effective atomic number of the material differ more from water. Implementation of spatially variant, polyenergetic kernels increased the percent depth dose value at 25 cm depth by 2.1%–5.8% depending on the field size, while implementation of titanium kernels gave 4.9% higher dose upstream of the metal cavity (i.e., higher backscatter dose) and 8.2% lower dose downstream of the cavity.Conclusions: Of the various kernel refinements investigated, inclusion of depth-dependent and metal-specific kernels into the C/S method has the greatest potential to improve dose calculation accuracy. Implementation of spatially variant polyenergetic kernels resulted in a harder depth dose curve and thus has the potential to affect beam modeling parameters obtained in the commissioning process. For metal implants, the C/S algorithms generally underestimate the dose upstream and overestimate the dose downstream of the implant. Implementation of a metal-specific kernel mitigated both of these errors.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Development of Critical Experiments to Provide Validation Data for Multiphysics Coupling Methods (Final Report)

Computational simulation has become one of the most important tools in the modern toolbox for nuclear reactor design. Reactor simulations, like the reactors themselves, involve multiple physical processes including neutronics, fluid flow and heat transfer (thermal-hydraulics), thermo-mechanics, fuel behavior, chemistry, and balance of plant. Each process can affect the behavior of the others, and advanced computational tools have been developed that couple separate physics models together to simulate the feedback effects. The objective of this work is to generate experimental data to support the validation of multi-physics reactor codes. It specifically targets the SHARP toolset from the NEAMS Reactor Product Line, but it is intended to be useful in any set of coded that couples thermal-hydraulics with neutronics simulations. The project takes advantage of the inherent flexibility of the RPI Reactor Critical Facility (RCF), a low power open-pool research reactor. The standard configuration of the RCF is used to explore the effects of moderator temperature on neutronic behavior and reactivity. Because the low power of the reactor generates no appreciable temperature change in the moderator, the moderator temperature is artificially changed with two 18 kW electric immersion heaters. The temperature feedback effects can be observed by recording the change in the reactor power as the reactor goes from a supercritical state, to critical, to a subcritical state. To expand the temperature range and temperature rate of change that can be investigated, an experimental apparatus consisting of a heated water loop was designed and installed in the RCF. In this setup, water from a heated reservoir tank is pumped through a pipe placed through the center of the reactor core. The water in the reservoir can be heated to around 70 °C and pumped through the system. The pump has a variable flow rate and electronic control, so a number of scenarios can be developed. A slug of water can be pushed through the system to generate a reasonably fast change in reactivity. The pump speed can be increased or decreased over the course of a measurement, or even oscillated at different periods, to observe the response of the reactor. To complement the experimental data generated by the RCF, a set of computational models have been developed. They are intended to illustrate the usefulness of the experimental data generated in validating coupled multi-physics simulations. A model previously constructed in MCNP has been used in conjunction with safety analysis at the RCF for many years and was modified to support the design of the heated water loop experiment. This model was translated into Serpent 2, a similar Monte Carlo code, which provided the added advantage of being able to produce collapsed cross-section data files for use in the deterministic neutron transport codes that are part of the SHARP toolset. A complete reconstruction of the RCF model, both with and without the heated fluid loop experiment, were necessary for use with the SHARP codes, PROTEUS (neutronics) and Nek5000 (thermal hydraulics), as these require an unstructured mesh format to operate. The computational requirements for fully coupled three dimensional simulations are significant, and challenges to full implementation and comparison with RCF experiments remain. A wide variety of experiments have been conducted for eventual benchmarking and validation of multi-physics reactor codes. A complete database of detailed time- and temperature-dependent measurements have been generated and stored. Several examples of the experimental results are presented here, with refinement and analysis of experiments ongoing. While these experiments still only address a finite range of operating conditions, in particular being limited to water in the sub-boiling regime, they represent a unique (to date) look at the feedback between temperature and neutronic behavior suited for validation of the coupling routines in multi-physics codes. It is hoped that these will be the foundation of future benchmarks that will provide confidence in the tools that will be used to develop the next generation of nuclear reactor systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

The importance of delayed neutron precursors in gamma dose calculations for activated primary heat exchanger components in the Molten Salt Breeder Reactor

The Molten Salt Reactor (MSR) Multiphysics Applications technical area in the Nuclear Energy Advanced Modeling and Simulation program has supported the development of 3D Monte Carlo models of the Molten Salt Breeder Reactor (MSBR) over the last couple of years. This MSBR model was previously run with the Shift Monte Carlo code to perform radiation shielding calculations in the reactor cell area. The MSBR is a 2250 MWth (1000 MWe) liquid-fueled molten salt reactor design developed at Oak Ridge National Laboratory in the 1970s. Determining the source terms from activated primary heat exchanger (HX) components is important because delayed and prompt neutron fluxes incident on these components affect the dose rate in the primary HX maintenance areas. This information can be used in the development of remote handling procedures required during shutdown for maintenance. A methodology has been developed and is proposed in this paper to quantify the activated source term from the primary HX components as a result of the movement of the delayed neutron precursors in flowing primary fuel salt through the primary HXs in the MSBR. The goal of this research is to evaluate the gamma dose rates in the maintenance hatches above the primary HX using the activated HX source terms. The study showed that the gamma dose rates are approximately two orders of magnitudes higher when accounting for the neutron activation from the movement of delayed neutron precursors through the HXs than when flowing fuel is not considered. Thus, the movement of delayed neutron precursors must be taken into account for accurately predicting the neutron activation of primary loop components.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2011

Modeling a Hypothetical {sup 170}Tm Source for Brachytherapy Applications

Purpose: To perform absorbed dose calculations based on Monte Carlo simulations for a hypothetical {sup 170}Tm source and to investigate the influence of encapsulating material on the energy spectrum of the emitted electrons and photons. Methods: GEANT4 Monte Carlo code version 9.2 patch 2 was used to simulate the decay process of {sup 170}Tm and to calculate the absorbed dose distribution using the GEANT4 Penelope physics models. A hypothetical {sup 170}Tm source based on the Flexisource brachytherapy design with the active core set as a pure thulium cylinder (length 3.5 mm and diameter 0.6 mm) and different cylindrical source encapsulations (length 5 mm and thickness 0.125 mm) constructed of titanium, stainless-steel, gold, or platinum were simulated. The radial dose function for the line source approximation was calculated following the TG-43U1 formalism for the stainless-steel encapsulation. Results: For the titanium and stainless-steel encapsulation, 94% of the total bremsstrahlung is produced inside the core, 4.8 and 5.5% in titanium and stainless-steel capsules, respectively, and less than 1% in water. For the gold capsule, 85% is produced inside the core, 14.2% inside the gold capsule, and a negligible amount (<1%) in water. Platinum encapsulation resulted in bremsstrahlung effects similar to those with the gold encapsulation. The range of the beta particles decreases by 1.1 mm with the stainless-steel encapsulation compared to the bare source but the tissue will still receive dose from the beta particles several millimeters from the source capsule. The gold and platinum capsules not only absorb most of the electrons but also attenuate low energy photons. The mean energy of the photons escaping the core and the stainless-steel capsule is 113 keV while for the gold and platinum the mean energy is 160 keV and 165 keV, respectively. Conclusions: A {sup 170}Tm source is primarily a bremsstrahlung source, with the majority of bremsstrahlung photons being generated in the source core and experiencing little attenuation in the source encapsulation. Electrons are efficiently absorbed by the gold and platinum encapsulations. However, for the stainless-steel capsule (or other lower Z encapsulations) electrons will escape. The dose from these electrons is dominant over the photon dose in the first few millimeter but is not taken into account by current standard treatment planning systems. The total energy spectrum of photons emerging from the source depends on the encapsulation composition and results in mean photon energies well above 100 keV. This is higher than the main gamma-ray energy peak at 84 keV. Based on our results, the use of {sup 170}Tm as a brachytherapy source presents notable challenges.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2013

Extension of PENELOPE to protons: Simulation of nuclear reactions and benchmark with Geant4

Purpose: Describing the implementation of nuclear reactions in the extension of the Monte Carlo code (MC) PENELOPE to protons (PENH) and benchmarking with Geant4.Methods: PENH is based on mixed-simulation mechanics for both elastic and inelastic electromagnetic collisions (EM). The adopted differential cross sections for EM elastic collisions are calculated using the eikonal approximation with the Dirac–Hartree–Fock–Slater atomic potential. Cross sections for EM inelastic collisions are computed within the relativistic Born approximation, using the Sternheimer–Liljequist model of the generalized oscillator strength. Nuclear elastic and inelastic collisions were simulated using explicitly the scattering analysis interactive dialin database for {sup 1}H and ICRU 63 data for {sup 12}C, {sup 14}N, {sup 16}O, {sup 31}P, and {sup 40}Ca. Secondary protons, alphas, and deuterons were all simulated as protons, with the energy adapted to ensure consistent range. Prompt gamma emission can also be simulated upon user request. Simulations were performed in a water phantom with nuclear interactions switched off or on and integral depth–dose distributions were compared. Binary-cascade and precompound models were used for Geant4. Initial energies of 100 and 250 MeV were considered. For cases with no nuclear interactions simulated, additional simulations in a water phantom with tight resolution (1 mm in all directions) were performed with FLUKA. Finally, integral depth–dose distributions for a 250 MeV energy were computed with Geant4 and PENH in a homogeneous phantom with, first, ICRU striated muscle and, second, ICRU compact bone.Results: For simulations with EM collisions only, integral depth–dose distributions were within 1%/1 mm for doses higher than 10% of the Bragg-peak dose. For central-axis depth–dose and lateral profiles in a phantom with tight resolution, there are significant deviations between Geant4 and PENH (up to 60%/1 cm for depth–dose distributions). The agreement is much better with FLUKA, with deviations within 3%/3 mm. When nuclear interactions were turned on, agreement (within 6% before the Bragg-peak) between PENH and Geant4 was consistent with uncertainties on nuclear models and cross sections, whatever the material simulated (water, muscle, or bone).Conclusions: A detailed and flexible description of nuclear reactions has been implemented in the PENH extension of PENELOPE to protons, which utilizes a mixed-simulation scheme for both elastic and inelastic EM collisions, analogous to the well-established algorithm for electrons/positrons. PENH is compatible with all current main programs that use PENELOPE as the MC engine. The nuclear model of PENH is realistic enough to give dose distributions in fair agreement with those computed by Geant4.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2014

Determination of the k{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}} correction factors for detectors used with an 800 MU/min CyberKnife{sup ®} system equipped with fixed collimators and a study of detector response to small photon beams using a Monte Carlo method

Purpose: In a previous work, output ratio (OR{sub det}) measurements were performed for the 800 MU/min CyberKnife{sup ®} at the Oscar Lambret Center (COL, France) using several commercially available detectors as well as using two passive dosimeters (EBT2 radiochromic film and micro-LiF TLD-700). The primary aim of the present work was to determine by Monte Carlo calculations the output factor in water (OF{sub MC,w}) and the k{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}} correction factors. The secondary aim was to study the detector response in small beams using Monte Carlo simulation. Methods: The LINAC head of the CyberKnife{sup ®} was modeled using the PENELOPE Monte Carlo code system. The primary electron beam was modeled using a monoenergetic source with a radial gaussian distribution. The model was adjusted by comparisons between calculated and measured lateral profiles and tissue-phantom ratios obtained with the largest field. In addition, the PTW 60016 and 60017 diodes, PTW 60003 diamond, and micro-LiF were modeled. Output ratios with modeled detectors (OR{sub MC,det}) and OF{sub MC,w} were calculated and compared to measurements, in order to validate the model for smallest fields and to calculate k{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}} correction factors, respectively. For the study of the influence of detector characteristics on their response in small beams; first, the impact of the atomic composition and the mass density of silicon, LiF, and diamond materials were investigated; second, the material, the volume averaging, and the coating effects of detecting material on the detector responses were estimated. Finally, the influence of the size of silicon chip on diode response was investigated. Results: Looking at measurement ratios (uncorrected output factors) compared to the OF{sub MC,w}, the PTW 60016, 60017 and Sun Nuclear EDGE diodes systematically over-responded (about +6% for the 5 mm field), whereas the PTW 31014 Pinpoint chamber systematically under-responded (about −12% for the 5 mm field). OR{sub det} measured with the SFD diode and PTW 60003 diamond detectors were in good agreement with OF{sub MC,w} except for the 5 mm field size (about −7.5% for the diamond and +3% for the SFD). A good agreement with OF{sub MC,w} was obtained with the EBT2 film and micro-LiF dosimeters (deviation less than 1.4% for all fields investigated). k{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}} correction factors for several detectors used in this work have been calculated. The impact of atomic composition on the dosimetric response of detectors was found to be insignificant, unlike the mass density and size of the detecting material. Conclusions: The results obtained with the passive dosimeters showed that they can be used for small beam OF measurements without correction factors. The study of detector response showed that OR{sub det} is depending on the mass density, the volume averaging, and the coating effects of the detecting material. Each effect was quantified for the PTW 60016 and 60017 diodes, the micro-LiF, and the PTW 60003 diamond detectors. None of the active detectors used in this work can be recommended as a reference for small field dosimetry, but an improved diode detector with a smaller silicon chip coated with tissue-equivalent material is anticipated (by simulation) to be a reliable small field dosimetric detector in a nonequilibrium field.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2016

MCNP6 simulation of light and medium nuclei fragmentation at intermediate energies

Fragmentation reactions induced on light and medium nuclei by protons and light nuclei of energies around 1 GeV/nucleon and below are studied with the Los Alamos transport code MCNP6 and with its CEM03.03 and LAQGSM03.03 event generators. CEM and LAQGSM assume that intermediate-energy fragmentation reactions on light nuclei occur generally in two stages. The first stage is the intranuclear cascade (INC), followed by the second, Fermi breakup disintegration of light excited residual nuclei produced after the INC. CEM and LAQGSM account also for coalescence of light fragments (complex particles) up to sup>4 He from energetic nucleons emitted during INC. We investigate the validity and performance of MCNP6, CEM, and LAQGSM in simulating fragmentation reactions at intermediate energies and discuss possible ways of further improving these codes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Predictions for diphoton production at the LHC through NNLO in QCD

In this paper we present a next-to-next-to-leading order (NNLO) calculation of the process $pp\rightarrow \gamma\gamma$ that we have implemented into the parton level Monte Carlo code MCFM. We do not find agreement with the previous calculation of this process in the literature. In addition to the $\mathcal{O}(\alpha_s^2)$ corrections present at NNLO, we include some effects arising at $\mathcal{O}(\alpha_s^3)$, namely those associated with gluon-initiated closed fermion loops. We investigate the role of this process in the context of studies of QCD at colliders and as a background for searches for new physics, paying particular attention to the diphoton invariant mass spectrum. We demonstrate that the NNLO QCD prediction for the shape of this spectrum agrees well with functional forms used in recent data-driven fits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Baryon Anticorrelations in PYTHIA

Abstract We present a computational investigation of a problem of hadron collisions from recent years, that of baryon anticorrelations. This is an experimental dearth of baryons near other baryons in phase space, not seen upon examining numerical Monte Carlo simulations. We have addressed one of the best known Monte Carlo codes, , to see what baryon (anti)correlations it produces, where they are originated at the string-fragmentation level in the underlying Lund model, and what simple modifications could lead to better agreement with data. We propose two ad-hoc alterations of the fragmentation code, a “one-baryon” and an “always-baryon” policies that qualitatively reproduce the data behaviour, i.e anticorrelation, and suggest that lacking Pauli-principle induced corrections at the quark level could be the culprit behind the current disagreement between computations and experiment.

Physics↗
DOE OSTI2015

Criticality calculations of the Very High Temperature Reactor Critical Assembly benchmark with Serpent and SCALE/KENO-VI

Within the framework of the IAEA Coordinated Research Project on HTGR Uncertainty Analysis in Modeling, criticality calculations of the Very High Temperature Critical Assembly experiment were performed as the validation reference to the prismatic MHTGR-350 lattice calculations. Criticality measurements performed at several temperature points at this Japanese graphite-moderated facility were recently included in the International Handbook of Evaluated Reactor Physics Benchmark Experiments and represent one of the few data sets available for the validation of HTGR lattice physics. Here, this work compares VHTRC criticality simulations utilizing the Monte Carlo codes Serpent and SCALE/KENO-VI. Reasonable agreement was found between Serpent and KENO-VI, but only the use of the latest ENDF cross section library release, namely the ENDF/B-VII.1 library, led to an improved match with the measured data. Furthermore, the fourth beta release of SCALE 6.2/KENO-VI showed significant improvements from the current SCALE 6.1.2 version, compared to the experimental values and Serpent.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗