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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Quantum Gibbs ensemble Monte Carlo

We present a path integral Monte Carlo method which is the full quantum analogue of the Gibbs ensemble Monte Carlo method of Panagiotopoulos to study the gas-liquid coexistence line of a classical fluid. Unlike previous extensions of Gibbs ensemble Monte Carlo to include quantum effects, our scheme is viable even for systems with strong quantum delocalization in the degenerate regime of temperature. This is demonstrated by an illustrative application to the gas-superfluid transition of {sup 4}He in two dimensions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Avoiding ergodicity problems in lattice discretizations of the Hubbard model

The Hubbard model arises naturally when electron-electron interactions are added to the tight-binding descriptions of many condensed matter systems. For instance, the two-dimensional Hubbard model on the honeycomb lattice is central to the ab initio description of the electronic structure of carbon nanomaterials, such as graphene. Such low-dimensional Hubbard models are advantageously studied with Markov chain Monte Carlo methods, such as hybrid Monte Carlo (HMC). HMC is the standard algorithm of the lattice gauge theory community, as it is well suited to theories of dynamical fermions. As HMC performs continuous, global updates of the lattice degrees of freedom, it provides superior scaling with system size relative to local updating methods. A potential drawback of HMC is its susceptibility to ergodicity problems due to so-called exceptional configurations, for which the fermion operator cannot be inverted. Recently, ergodicity problems were found in some formulations of HMC simulations of the Hubbard model. Here, we address this issue directly and clarify under what conditions ergodicity is maintained or violated in HMC simulations of the Hubbard model. We study different lattice formulations of the fermion operator and provide explicit, representative calculations for small systems, often comparing to exact results. Here, we show that a fermion operator can be found which is both computationally convenient and free of ergodicity problems.

First-principles calculations↗
DOE OSTI2023

Context-aware learning of hierarchies of low-fidelity models for multi-fidelity uncertainty quantification

Multi-fidelity Monte Carlo methods leverage low-fidelity and surrogate models for variance reduction to make tractable uncertainty quantification even when numerically simulating the physical systems of interest with high-fidelity models is computationally expensive. This work proposes a context-aware multi-fidelity Monte Carlo method that optimally balances the costs of training low-fidelity models with the costs of Monte Carlo sampling. It generalizes the previously developed context-aware bi-fidelity Monte Carlo method to hierarchies of multiple models and to more general types of low-fidelity models. When training low-fidelity models, the proposed approach takes into account the context in which the learned low-fidelity models will be used, namely for variance reduction in Monte Carlo estimation, which allows it to find optimal trade-offs between training and sampling to minimize upper bounds of the mean-squared errors of the estimators for given computational budgets. This is in stark contrast to traditional surrogate modeling and model reduction techniques that construct low-fidelity models with the primary goal of approximating well the high-fidelity model outputs and typically ignore the context in which the learned models will be used in upstream tasks. Further, the proposed context-aware multi-fidelity Monte Carlo method applies to hierarchies of a wide range of types of low-fidelity models such as sparse-grid and deep-network models. Numerical experiments with the gyrokinetic simulation code Gene show speedups of up to two orders of magnitude compared to standard estimators when quantifying uncertainties in small-scale fluctuations in confined plasma in fusion reactors. This corresponds to a runtime reduction from 72 days to four hours on one node of the Lonestar6 supercomputer at the Texas Advanced Computing Center.

42 ENGINEERING↗
DOE OSTI2016

Monte Carlo Direct Simulation Method for Initiation Probability Problems

During the early period of a supercritical system, the growth of fission chains shows a significant stochastic feature. In multiplying medium, it is a probability issue of fail-pass type for a single neutron to sponsor a divergent fission chain, and the probability of success is named as single neutron initiation probability. Meanwhile, in the presence of a weak neutron source, the time at which fission burst occurs also exhibits a stochastic nature, which can be observed on experiments of pulsed reactors such as GODIVA I and GODIVA II. The initiation probability and burst waiting time reflect the dynamic feature of a supercritical system, which are very important for nuclear criticality safety concerns. It is desirable that a supercritical system has an initiation probability very close to zero and releases limited energy in case of criticality accidents. The stochastic process of neutron population evolution in early age in a multiplying system is governed by Bell's equation in the form of an adjoint neutron transport equation with a non-linear fission term. In order to solve this stochastic neutron transport equation, the deterministic method discretizing the phase space was proposed long ago and has been implemented in several SN codes such as Partisn, Ardra and PANDA. However, the deterministic method is of limited usage, due to its poor ability to precisely describe real-world 3D complex geometries and continuous energy neutron spectrum. Recently, Monte Carlo methods have gradually gained attention for solving Bell's equation. Greenman from LLNL proposed an analog Monte Carlo forward-transport method for calculating initiation probability in 2007. He implemented this method by introducing the maximum age parameter, the time sub-interval and the neutron progenitor tag into Mercury in time-dependent fixed-source simulation mode. This method is only suitable for initiation probability calculations, however not for analyzing the randomness of burst waiting time. Later, GANG in 2011 developed the GSMP (Generalized Semi-Markov Process method) Monte Carlo method according to Bell's equation. While the GSMP method, which can deal with both initiation probability and burst waiting time, is flexible and powerful for zero-dimensional problems, it is not favorable when extended to 3D and continuous energy problems due to severe lack of computational efficiency. In 2015, a direct Monte Carlo simulation method for stochastic systems problems was implemented in MCATK, yet this method has not been applied specifically to the burst waiting time. In this work, a new and efficient 3D Monte Carlo direct simulation method for calculating both the initiation probability and the burst waiting time is developed. By taking random factors during evolvement of fission chains into account in dynamic Monte Carlo simulation, this new method has the potential of simulating the whole process from source neutron injection to exponential growth of the neutron population, and finally to extinction of the neutron pulse. This capability is useful in criticality accidents evaluation and pulsed reactor experiments explanation. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Finite temperature auxiliary field quantum Monte Carlo in the canonical ensemble

Finite temperature auxiliary field-based quantum Monte Carlo methods, including determinant quantum Monte Carlo and Auxiliary Field Quantum Monte Carlo (AFQMC), have historically assumed pivotal roles in the investigation of the finite temperature phase diagrams of a wide variety of multidimensional lattice models and materials. Despite their utility, however, these techniques are typically formulated in the grand canonical ensemble, which makes them difficult to apply to condensates such as superfluids and difficult to benchmark against alternative methods that are formulated in the canonical ensemble. Working in the grand canonical ensemble is furthermore accompanied by the increased overhead associated with having to determine the chemical potentials that produce desired fillings. Given this backdrop, in this work, we present a new recursive approach for performing AFQMC simulations in the canonical ensemble that does not require knowledge of chemical potentials. To derive this approach, we exploit the convenient fact that AFQMC solves the many-body problem by decoupling many-body propagators into integrals over one-body problems to which non-interacting theories can be applied. We benchmark the accuracy of our technique on illustrative Bose and Fermi–Hubbard models and demonstrate that it can converge more quickly to the ground state than grand canonical AFQMC simulations. We believe that our novel use of HS-transformed operators to implement algorithms originally derived for non-interacting systems will motivate the development of a variety of other methods and anticipate that our technique will enable direct performance comparisons against other many-body approaches formulated in the canonical ensemble.

Shen, Tong (ORCID:0000000206292468)↗
DOE OSTI2020

Coexistence and Interaction of Spinons and Magnons in an Antiferromagnet with Alternating Antiferromagnetic and Ferromagnetic Quantum Spin Chains

In conventional quasi-one-dimensional antiferromagnets with quantum spins, magnetic excitations are carried by either magnons or spinons in different energy regimes: they do not coexist independently, nor could they interact with each other. In this Letter, by combining inelastic neutron scattering, quantum Monte Carlo simulations and Random Phase Approximation calculations, we report the discovery and discuss the physics of the coexistence of magnons and spinons and their interactions in Botallackite-Cu 2 (OH) 3 Br. This is a unique quantum antiferromagnet consisting of alternating ferromagnetic and antiferromagnetic Spin-1/2 chains with weak interchain couplings. Furthermore, our study presents a new paradigm where one can study the interaction between two different types of magnetic quasiparticles: magnons and spinons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Comparison of Radiation Models for a Turbulent Piloted Methane/Air Jet Flame: A Frozen-Field Study

Numerical modeling of radiative transfer in nongray reacting media is a challenging problem in computational science and engineering. The choice of radiation models is important for accurate and efficient high-fidelity combustion simulations. Different applications usually involve different degrees of complexity, so there is yet no consensus in the community. In this paper, the performance of different radiative transfer equation (RTE) solvers and spectral models for a turbulent piloted methane/air jet flame are studied. The flame is scaled from the Sandia Flame D with a Reynolds number of 22,400. Three classes of RTE solvers, namely the discrete ordinates method, spherical harmonics method, and Monte Carlo method, are examined. The spectral models include the Planck-mean model, the full-spectrum k-distribution (FSK) method, and the line-by-line (LBL) calculation. The performances of different radiation models in terms of accuracy and computational cost are benchmarked. The results have shown that both RTE solvers and spectral models are critical in the prediction of radiative heat source terms for this jet flame. The trade-offs between the accuracy, the computational cost, and the implementation difficulty are discussed in detail. The results can be used as a reference for radiation model selection in combustor simulations.

David, Chloe↗
DOE OSTI2014

SU-E-T-321: The Effects of a Dynamic Collimation System On Proton Pencil Beams to Improve Lateral Tissue Sparing in Spot Scanned Proton Therapy

Purpose: To evaluate the lateral beam penumbra in pencil beam scanning proton therapy delivered using a dynamic collimator device capable of trimming a portion of the primary beam in close proximity to the patient. Methods: Monte Carlo simulations of pencil beams were performed using MCNPX. Each simulation transported a 125 MeV proton pencil beam through a range shifter, past acollimator, and into a water phantom. Two parameters were varied among the simulations, the source beam size (sigma in air from 3 to 9 mm), and the position of the edge of the collimator (placed from 0 to 30 mm from the central axis of the beam). Proton flux was tallied at the phantom surface to determine the effective beam sizefor all combinations of source beam size and collimator edge position. Results: Quantifying beam size at the phantom surface provides a useful measure tocompare performance among varying source beam sizes and collimation conditions. For arelatively large source beam size (9 mm) entering the range shifter, sigma at thesurface was found to be 10 mm without collimation versus 4 mm with collimation. Additionally, sigma at the surface achievable with collimation was found to be smallerthan for any uncollimated beam, even for very small source beam sizes. Finally, thelateral penumbra achievable with collimation was determined to be largely independentof the source beam size. Conclusion: Collimation can significantly reduce proton pencil beam lateral penumbra.Given the known dosimetric disadvantages resulting from large beam spot sizes,employing a dynamic collimation system can significantly improve lateral tissuesparing in spot-scanned dose distributions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

TH-A-19A-05: Modeling Physics Properties and Biologic Effects Induced by Proton and Helium Ions

Purpose: Currently, proton and carbon ions are used for cancer treatment. More recently, other light ions including helium ions have shown interesting physical and biological properties. The purpose of this work is to study the biological and physical properties of helium ions (He-3) in comparison to protons. Methods: Monte Carlo simulations with FLUKA, GEANT4 and MCNPX were used to calculate proton and He-3 dose distributions in water phantoms. The energy spectra of proton and He-3 beams were calculated with high resolution for use in biological models. The repair-misrepairfixation (RMF) model was subsequently used to calculate the RBE. Results: The proton Bragg curve calculations show good agreement between the three general purpose Monte Carlo codes. In contrast, the He-3 Bragg curve calculations show disagreement (for the magnitude of the Bragg peak) between FLUKA and the other two Monte Carlo codes. The differences in the magnitude of the Bragg peak are mainly due to the discrepancy in the secondary fragmentation cross sections used by the codes. The RBE for V79 cell lines is about 0.96 and 0.98 at the entrance of proton and He-3 ions depth dose respectively. The RBE increases to 1.06 and 1.59 at the Bragg peak of proton and He-3 ions. The results demonstrated that LET, microdosimetric parameters (such as dose-mean lineal energy) and RBE are nearly constant along the plateau region of Bragg curve, while all parameters increase within the Bragg peak and at the distal edge for both proton and He-3 ions. Conclusion: The Monte Carlo codes should revise the fragmentation cross sections to more accurately simulate the physical properties of He-3 ions. The increase in RBE for He-3 ions is higher than for proton beams at the Bragg peak.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2014

Impact of extraneous mispositioned events on motion-corrected brain SPECT images of freely moving animals

Purpose: Single photon emission computed tomography (SPECT) brain imaging of freely moving small animals would allow a wide range of important neurological processes and behaviors to be studied, which are normally inhibited by anesthetic drugs or precluded due to the animal being restrained. While rigid body motion of the head can be tracked and accounted for in the reconstruction, activity in the torso may confound brain measurements, especially since motion of the torso is more complex (i.e., nonrigid) and not well correlated with that of the head. The authors investigated the impact of mispositioned events and attenuation due to the torso on the accuracy of motion corrected brain images of freely moving mice. Methods: Monte Carlo simulations of a realistic voxelized mouse phantom and a dual compartment phantom were performed. Each phantom comprised a target and an extraneous compartment which were able to move independently of each other. Motion correction was performed based on the known motion of the target compartment only. Two SPECT camera geometries were investigated: a rotating single head detector and a stationary full ring detector. The effects of motion, detector geometry, and energy of the emitted photons (hence, attenuation) on bias and noise in reconstructed brain regions were evaluated. Results: The authors observed two main sources of bias: (a) motion-related inconsistencies in the projection data and (b) the mismatch between attenuation and emission. Both effects are caused by the assumption that the orientation of the torso is difficult to track and model, and therefore cannot be conveniently corrected for. The motion induced bias in some regions was up to 12% when no attenuation effects were considered, while it reached 40% when also combined with attenuation related inconsistencies. The detector geometry (i.e., rotating vs full ring) has a big impact on the accuracy of the reconstructed images, with the full ring detector being more advantageous. Conclusions: Motion-induced inconsistencies in the projection data and attenuation/emission mismatch are the two main causes of bias in reconstructed brain images when there is complex motion. It appears that these two factors have a synergistic effect on the qualitative and quantitative accuracy of the reconstructed images.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-C-204-03: In-Vivo Range Verification and Tissue Response to Proton Radiotherapy Using Prompt Gamma Volume Histograms

Purpose: To study if prompt gamma (PG) volume histograms created from PG images acquired during treatment delivery can be used to identify changes to beam range and tissue composition in response to proton radiotherapy. Methods: Monte Carlo simulations of a single field from a single treatment fraction (100 cGy) for prostate cancer were performed for the cases of: 1) an ideal patient setup, 1) a setup shift in the superior direction and 2) a reduction in oxygen concentration in the tumor. For each case, the 3 -Dimsional dose delivery and elemental PG emission in the patient for the treatment fraction were recorded and imported into a commercial treatment planning system. Changes in the dose volume histograms (DVH), as well as the PG volume histograms (PG-VH) for the PG emission from oxygen and for the total PG emission (from all elements) were analyzed. Results: For the 1 cm superior shift, the prostate DVH and total PG-VH both shifted toward lower doses with the shape of the curves remaining nearly unchanged, resulting in the DVH V95 dropping from 100 cGy to 90 cGy. For the total PG-VH, the V95 fell from 50 to 38. For the reduced oxygen case, both the DVH and PG-VH had a much different shape than for the ideal case, with a significant downward slope in the curves as a function of dose. Conclusions: The shift in the prostate PG-VH for a superior shift in the patient setup correlated well with the DVH indicating it is possible to detect setup errors by analyzing the PG-VH from prompt gamma images obtained during daily proton treatment delivery. Additionally, it may be possible to detect changes in the elemental concentrations of irradiated tissues by analyzing the shape of the PG-VH.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-E-I-16: Scan Length Dependency of the Radial Dose Distribution in a Long Polyethylene Cylinder

Purpose: The area-averaged dose in the central plane of a long cylinder following a CT scan depends upon the radial dose distribution and the length of the scan. The ICRU/TG200 phantom, a polyethylene cylinder 30 cm in diameter and 60 cm long, was the subject of this study. The purpose was to develop an analytic function that could determine the dose for a scan length L at any point in the central plane of this phantom. Methods: Monte Carlo calculations were performed on a simulated ICRU/TG200 phantom under conditions of cylindrically symmetric conditions of irradiation. Thus, the radial dose distribution function must be an even function that accounts for two competing effects: The direct beam makes its weakest contribution at the center while the scatter begins abruptly at the outer radius and grows as the center is approached. The scatter contribution also increases with scan length with the increase approaching its limiting value at the periphery faster than along the central axis. An analytic function was developed that fit the data and possessed these features. Results: Symmetry and continuity dictate a local extremum at the center which is a minimum for the ICRU/TG200 phantom. The relative depth of the minimum decreases as the scan length grows and an absolute maximum can occur between the center and outer edge of the cylinders. As the scan length grows, the relative dip in the center decreases so that for very long scan lengths, the dose profile is relatively flat. Conclusion: An analytic function characterizes the radial and scan length dependency of dose for long cylindrical phantoms. The function can be integrated with the results expressed in closed form. One use for this is to help determine average dose distribution over the central cylinder plane for any scan length.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-E-T-344: Dynamic Electron Beam Therapy Using Multiple Apertures in a Single Cut-Out

Purpose: Few leaf electron collimators (FLEC) or electron MLCs (eMLC) are highly desirable for dynamic electron beam therapies as they produce multiple apertures within a single delivery to achieve conformal dose distributions. However, their clinical implementation has been challenging. Alternatively, multiple small apertures in a single cut-out with variable jaw sizes could be utilized in a single dynamic delivery. In this study, we investigate dosimetric characteristics of such arrangement. Methods: Monte Carlo (EGSnrc/BEAMnrc/DOSXYnrc) simulations utilized validated Varian TrueBeam phase spaces. Investigated quantities included: Energy (6 MeV), jaw size (1×1 to 22×22 cm {sup 2}; centered to aperture), applicator/cut-out (15×15 cm{sup 2}), aperture (1×1, 2×2, 3×3, 4×4 cm{sup 2}), and aperture placement (on/off central axis). Three configurations were assessed: (1) single aperture on-axis, (2) single aperture off-axis, and (3) multiple apertures. Reference was configuration (1) with standard jaw size. Aperture placement and jaw size were optimized to maintain reference dosimetry and minimize leakage through unused apertures to <5%. Comparison metrics included depth dose and orthogonal profiles. Results: Configuration (1) and (2): Jaw openings were reduced to 10×10 cm{sup 2} without affecting dosimetry (gamma 2%/1mm) regardless of on- or off-axis placement. For smaller jaw sizes, reduced surface (<2%, 5% for 1×1 cm{sup 2} aperture) and increased Bremsstrahlung (<2%, 10% for 1×1 cm{sup 2} aperture) dose was observed. Configuration (3): Optimal aperture placement was in the corners (order: 1×1, 4×4, 2×2, 3×3 cm{sup 2}) and jaw sizes were 4×4, 4×4, 7×7, and 5×5 cm{sup 2} (apertures: 1×1, 2×2, 3×3, 4×4 cm{sup 2} ). Asymmetric leakage was found from upper and lower jaws. Leakage was generally within 5% with a maximum of 10% observed for the 1×1 cm{sup 2} aperture irradiation. Conclusion: Multiple apertures in a single cut-out with variable jaw size can be used in a single dynamic delivery, providing a practical alternative to FLEC or eMLC. Future simulations will expand on all variables.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-E-T-365: Estimation of Neutron Ambient Dose Equivalents for Radioprotection Exposed Workers in Radiotherapy Facilities Based On Characterization Patient Risk Estimation

Purpose: Previous measurements with Bonner spheres{sup 1} showed that normalized neutron spectra are equal for the majority of the existing linacs{sup 2}. This information, in addition to thermal neutron fluences obtained in the characterization procedure{sup 3}3, would allow to estimate neutron doses accidentally received by exposed workers, without the need of an extra experimental measurement. Methods: Monte Carlo (MC) simulations demonstrated that the thermal neutron fluence distribution inside the bunker is quite uniform, as a consequence of multiple scatter in the walls{sup 4}. Although inverse square law is approximately valid for the fast component, a more precise calculation could be obtained with a generic fast fluence distribution map around the linac, from MC simulations{sup 4}. Thus, measurements of thermal neutron fluences performed during the characterization procedure{sup 3}, together with a generic unitary spectra{sup 2}, would allow to estimate the total neutron fluences and H*(10) at any point{sup 5}. As an example, we compared estimations with Bonner sphere measurements{sup 1}, for two points in five facilities: 3 Siemens (15–23 MV), Elekta (15 MV) and Varian (15 MV). Results: Thermal neutron fluences obtained from characterization, are within (0.2–1.6×10{sup 6}) cm−{sup 2}•Gy{sup −1} for the five studied facilities. This implies ambient equivalent doses ranging from (0.27–2.01) mSv/Gy 50 cm far from the isocenter and (0.03–0.26) mSv/Gy at detector location with an average deviation of ±12.1% respect to Bonner measurements. Conclusion: The good results obtained demonstrate that neutron fluence and H*(10) can be estimated based on: (a) characterization procedure established for patient risk estimation in each facility, (b) generic unitary neutron spectrum and (c) generic MC map distribution of the fast component. [1] Radiat. Meas (2010) 45: 1391 – 1397; [2] Phys. Med. Biol (2012) 5 7:6167–6191; [3] Med. Phys (2015) 42:276 - 281. [4] IFMBE (2012) 39: 1245–1248. [5] ICRU Report 57 (1998)

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-E-T-517: Investigation of Factors Contributing to Extracranial Radiation Doses From Leksell Gamma Knife

Purpose The purpose of this study is to investigate dominant factors for doses to extracranial sites in treatment with Leksell Gamma Knife (LGK). Methods Monte Carlo simulation was implemented using EGS5 version 1.4.401. The simulation was divided into two major steps for the purpose of efficiency. As the first step, phase-space files were obtained at a scoring plane located just below patient-side surface of the collimator helmet of LGK. Scored particles were classified into three groups, primary, leakage and scatter, using their history information until their arrival to the scoring plane. Then classification was used at the following second step simulation to investigate which type of particle is dominant in the deposited energy at extra-cranial sites. In the second stage, a cylindrical phantom with a semisphere shaped head was modeled such that the geometrical center of the phantom’s head corresponds to the unit center point (UCP) of LGK. Scoring regions were arranged at 10 cm intervals from the UCP to 70 cm away on the central axis of the phantom. Energy deposition from each type of particles and location of interaction were recorded. Results The dominant factor of deposited energy depended on the collimator size. In the case of smaller collimator size, leakage was dominant. However, contribution of leakage was relatively small in the case of larger collimator size. The contribution of internal scatter varied with the distance from the UCP. In the proximal areas, internal scatter was dominant, whereas in the distal areas, particles interacting with machine components became dominant factor. Conclusion The Result of this study indicates that the dominant factor to dose to an extracranial site can vary with the distance from UCP and with collimator size. This means that the variation of this contribution must be considered for modeling of the extracranial dose especially in the distal area. This work was partly supported by the JSPS Core-to-Core Program (No. 23003)

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-E-T-518: Investigation of Gold Nanoparticle Radiosensitization for Carbon Ion Therapy

Purpose The aim of this work is to investigate the radiosensitization effect of gold nanoparticles (GNP) in carbon ion irradiation. Nano-scale dosimetric characteristics of GNP interaction with carbon ions as well as the secondary particles generated as a carbon beam traverses the water phantom were studied. Methods Monte Carlo simulations were carried out using TOPAS (Tool for Particle Simulation). First, a water phantom was irradiated by the carbon ion beam and the particle shower spectrum at several depths was recorded in phase spaces. We analyzed the number and energy spectrum of each particle type. Then, the phase spaces obtained from Step 1 were modified to nanometer scale to irradiate a single 50 nm GNP. The secondary electrons that escaped from the GNPs following interactions with each particle type were recorded as phase spaces. The number and energy spectrum of the secondary electrons were studied. The same simulations were repeated replacing the GNPs with water nanoparticles (WNPs) with the same size. The energy absorbed in either GNP or WNP was scored. Results There is a large amount of secondary particles generated through carbon ion beam interaction with the water phantom. Analysis of the secondary electrons generated by the primary particles which escape from the nanoparticle revealed that majority (above 80%) of these electrons were generated by the GNP interaction with Carbon beam itself, making it the biggest contributor to the enhancement. The ratio of the energy absorbed by GNP and WNP is about 8–10 for charged particles and above 3000 for gammas. Conclusion We showed in the study the GNPs may potentially be used to enhance carbon ion therapy, and the main mechanism of enhancement is the interaction with Carbon ion particles itself.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-E-T-581: On the Value of LET as a Radiation Quality Descriptor for RBE

Purpose: To investigate the relationship between linear energy transfer (LET) and relative biological effectiveness (RBE) for protons and light ions, and the corresponding role of LET as a descriptor of radiation quality of hadron therapy. Methods: Monte Carlo (MC) proton and light ion (He, Li, C) tracks with LET < 30 eV nm{sup -1} were generated in an event-by-event mode. They were overlaid on a cell nucleus model containing 6×10{sup 9} nucleotide base pairs using an isotropic irradiation procedure that provides electronic equilibrium. Strand breaks (sbs) were scored in the DNA sugar-phosphate groups and further sub-classified into single or double sbs (ssbs or dsbs). Distributions of ssbs and dsbs for 2 Gy fractions were calculated to estimate RBE for the induction of initial dsbs with reference to {sup 60}Co. Additionally, sbs were classified based on their complexity (i.e. the number of sbs in each cluster). Results: An increase in LET for light ions of the same atomic number or a decrease in atomic number for ions of the same LET resulted in a lower kinetic energy of emitted secondary electrons. The clustering of DNA damage was more pronounced as reflected by the increase in proton RBE from ∼ 1.75 to 4 for LET values of 7 to 28 eV nm{sup -1}. A significant RBE decrease between protons, He, Li and C ions of the same LET was also noticed as function of the atomic number. Significant differences in ssbs and dsbs complexities were also seen for particles with the same LET, potentially supporting a clustering-based radiation quality descriptor. Conclusion: The LET-RBE relationships were simulated for proton and light ions and exhibited expected trends, including different RBEs for particles with the same LET but different atomic numbers. A complexity based radiation quality descriptor may allow better differentiation of RBE between radiation fields of similar LET. We would like to acknowledge support from the Fonds de recherche du Quebec Sante (FRQS), from the CREATE Medical Physics Research Training Network grant (number 432290) of NSERC, support from NSERC under grants RGPIN 397711-11 and RGPIN-2014-06475 and support from CIHR under grants MOP-114910, MOP-136774 and MOP-102550.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2015

SU-E-T-609: Perturbation Effects of Pedicle Screws On Radiotherapy Dose Distributions

Purpose: Radiation therapy in conjunction with surgical implant fixation is a common combined treatment in case of bone metastases. However, metal implants generally used in orthopedic implants perturb radiation dose distributions. Carbon-Fiber Reinforced (CFR) PEEK material has been recently introduced for production of intramedullary screws and plates. Gold powder can be added to the CFR-PEEK material in order to enhance visibility of the screws during intraoperative imaging procedures. In this work, we investigated the perturbation effects of the pedicle screws made of CFR-PEEK, CFR-PEEK with added gold powder (CFR-PEEK-AU) and Titanium (Ti) on radiotherapy dose distributions. Methods: Monte Carlo (MC) simulations were performed using the EGSnrc code package for 6MV beams with 10×10 fields at SSD=100cm. By means of MC simulations, dose distributions around titanium, CFR- PEEK and CFR-PEEK-AU screws (manufactured by Carbo-Fix Orthopedics LTD, Israel) placed in a water phantom were calculated. The screw axis was either parallel or perpendicular to the beam axis. Dose perturbation (relative to dose in homogeneous water phantom) was assessed. Results: Maximum overdose due to backscatter was 10% for the Ti screws, 5% for the CFR-PEEK-AU screws and effectively zero for the CFR-PEEK screws. Maximum underdose due to attenuation was 25% for the Ti screws, 15% for the CFR-PEEK-AU screws and 5% for the CFR-PEEK screws. Conclusion: Titanium screws introduce the largest distortion on the radiation dose distribution. The gold powder added to the CFR-PEEK material improves visibility at the cost of increased dose perturbation. CFR-PEEK screws caused minimal alteration on the dose distribution. This can decrease possible over and underdose of adjacent tissue and thus favorably influence treatment efficiency. The use of such implants has potential clinical advantage in the treatment of neoplastic bone disease.

62 RADIOLOGY AND NUCLEAR MEDICINE↗