Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “PROTON”

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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Water-Assisted Proton Delivery and Removal in bio-inspired Hydrogen Production Catalysts

Electrocatalysts for H2 production are envisioned to play an important role in renewable energy utilization systems. Nickel-based catalysts featuring pendant amines functioning as proton relays in the second coordination sphere of a metal center have led to catalysts achieving turnover frequencies as high as 107 s-1 for H2 production. The fastest rates are observed when water is present in solution, with rates up to 102 times faster than dry conditions. The focus of this paper is to provide mechanistic insight into the unexpected enhancement due to water. Addition of H2 to [Ni(PR2NR´2)2]2+ was previously shown to give three isomers of a Ni(0) product with two protonated amines, where the N-H can be endo or exo to the Ni. By investigating the deprotonation of two N-protonated Ni(0) intermediates resulting from H2 addition to to [Ni(PR2NR´2)2]2+, we observe an enhancement in the rate of deprotonation for protons positioned on the pendant amine next to the metal (endo) vs. protons that are positioned away from the metal (exo). Computational studies suggest that steric accessibility and desolvation energy of the deprotonating base are responsible for limiting endo deprotonation. The significant reduction in this barrier observed in the presence of water has important implications for disfavoring less productive catalytic pathways and increasing catalytic rates. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

Ho, Ming-Hsun↗
NASA NTRS1995

Proton affinity determinations and proton-bound dimer structure indications in C2 to C15, (alpha),(omega)-alkyldiamines

The 'kinetic method' was used to determine the proton affinity (PA) of a,coalkyldiamines from collision induced dissociation (CID) studies of protonated heterodimers. These PA values were consistently lower than those reported in the proton affinity scale. The apparent discrepancy was rationalized in terms of differences in the conformation of the protonated diamine monomers. The minimum energy species, formed by equilibrium proton transfer processes, have a cyclic conformation and the ion charge is shared by both amino-groups which are bridged by the proton. On the other hand, the species formed through dissociation of protonated dimers have a linear structure and the charge is localized on one of the amino-groups. Thus, the difference in the PA values obtained by both methods is a measure of the additional stability acquired by the protonated diamines through cyclization and charge delocalization. The major collision dissociation pathway of the protonated diamine monomers involved elimination of an ammonia moiety. Other reactions observed included loss of the second amino-group and several other bond cleavages. CID of the protonated dimers involved primarily formation of a protonated monomer through cleavage of the weaker hydrogen bond and subsequently loss of ammonia at higher collision energies. As observed from the CID studies, doubly charged ions were also formed from the diamines under conditions of the electrospray ionization.

Karpas, Z.↗
DOE OSTI2013

High precision measurement of the proton charge radius: The PRad experiment

The recent high precision measurements of the proton charge radius performed at PSI from muonic hydrogen Lamb shift puzzled the hadronic physics community. A value of 0.8418 ± 0.0007 fm was extracted which is 7σ smaller than the previous determinations obtained from electron-proton scattering experiments and based on precision spectroscopy of electronic hydrogen. An additional extraction of the proton charge radius from electron scattering at Mainz is also in good agreement with these 'electronic' determinations. An independent measurement of the proton charge radius from unpolarized elastic ep scattering using a magnetic spectrometer free method was proposed and fully approved at Jefferson Laboratory in June 2012. This novel technique uses the high precision calorimeter HyCal and a windowless hydrogen gas target which makes possible the extraction of the charge radius at very forward angles and thus very low momentum transfer Q{sup 2} up to 10{sup −4} (GeV/c){sup 2} with an unprecedented sub-percent precision for this type of experiment. In this paper, after a review of the recent progress on the proton charge radius extraction and the new high precision experiment PRad will be presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Quasi-monoenergetic proton beam from a proton-layer embedded metal foil irradiated by an intense laser pulse

A target structure, ion-layer embedded foil (ILEF) is proposed for producing a quasi-monoenergetic proton beam by utilizing a bulk electrostatic field, which is generated by irradiating the target with an ultra-intense laser pulse, inside the plasma. Compared with the case of a single metal foil in which the proton layer is initially present on the surface, in the ILEF target, the proton layer is initially located inside a metal foil. A two-dimensional particle-in-cell (PIC) simulation shows that the target generates a proton beam with a narrow energy spread. With a laser intensity of 2 × 10{sup 19 }W/cm{sup 2}, a 22-MeV proton beam with an energy spread of 8% at the full-width-half-maximum (FWHM) is obtained when the proton layer is located at 0.4 μm inside the rear surface of a 2.4 μm-thick copper foil. When the proton layer moves toward the front side, a proton beam with a flat-top energy distribution ranging from 15 MeV to 35 MeV is obtained. Further, with a higher laser intensity of 10{sup 21 }W/cm{sup 2}, a proton beam with the maximum energy of 345 MeV and FWHM energy spread of 7.2% is obtained. The analysis of the PIC simulation with an aid of a fluid analysis shows that the spectrum is affected by the initial position of the proton layer, its initial spread during the formation of the sheath field, and the space charge effect.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Improving Proton Conductivity by Navigating Proton Trapping in High Scandium-Doped Barium Zirconate Electrolytes

Proton-conducting oxides are used in intermediate-temperature (300 °C < T < 700 °C) applications of fuel cells, electrolyzers, membrane reactors, hydrogen pumps, and sensors. The proton conductivity of doped ABO 3 perovskites is partly dependent on the proton concentration and hence on the level of material hydration. However, how the material hydration ability is affected by differences in doping is not fully understood. Here, we show the prospect of proton trapping and detrapping that influences material hydration and dehydration. The proton-trapping influence is significant for Sc-doped BaZrO 3 compared to Y-doped BaZrO 3 . Here, our work offers a perspective to understand how defect interaction/associations influence the hydration ability of proton-conducting oxides. Furthermore, positron annihilation lifetime spectroscopy was revealed to be a valuable technique for studying the proton-trapping phenomena and the defect chemistry of dense proton conductors. Density functional theory calculations also showed that a high hydration level in Sc-doped BaZrO 3 boosts proton migration. In contrast, the effect of boosting the proton migration due to increased hydration is limited for Y-doped BaZrO 3 . This effect, in turn, might explain the trend of conductivity with dopant concentration in doped BaZrO 3 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

The Role of Protons and Hydrides in the Catalytic Hydrogenolysis of Guaiacol at the Ruthenium Nanoparticle-water Interface

The mechanistic roles of free hydronium ions, surface hydrides, and interfacial protons during guaiacol hydrodeoxygenation (HDO) on ruthenium nanoparticles are established. As guaiacol adsorbs on Ru, it loses its strong aromaticity and undergoes a rapid H-shift from its hydroxyl to meta carbons (in relation to its hydroxyl group), leading enol and keto surface isomers to exist in chemical equilibrium. HDO occurs via a hydridic H-adatom (H*) attack to the enol, followed by a kinetically relevant C-O bond rupture step, during which water shuttles the hydroxyl proton, enabling its intramolecular attack to the methoxy, evolving a high charged [Ru(s)-(C6H5O-)…(H+)…OCH3]† transition state. The competing HYD begins with a rapid H* attack to the keto, before a second, kinetically relevant H* attack, without proton involvement. Water, despite shifting the thermodynamics towards the more polar surface keto, promotes HDO to a much greater extent than HYD, because of its dual catalytic roles—it mobilizes hydroxyl proton (Brønsted acid) to cleave the strong C-O bond, synchronizing with the Ru metal surface (base) function that stabilizes the resulting [Ru(s)-(C6H5O-)…(H+)…OCH3]† transition state, and the water layers solvate this charged transition state, further reducing its free energy. Free hydronium ions do catalyze a separate homogeneous enol-keto isomerization, but this reaction is kinetically unrelated to HDO catalysis. This mechanistic picture explains the strong effects of polar protic solvent in hydrodeoxygenation, highlighting (i) the requirements of surface hydrides and interfacial protons acting in tandem to complete a HDO turnover and (ii) the cooperative role of protic solvent and metal surface in breaking the aromaticity and stabilizing charged reactive precursors and transition states.

Shangguan, Junnan↗
DOE OSTI2014

The proton form factor measurements at Jefferson Lab, past and future

Use of the double-polarization technique to obtain the elastic nucleon form factors has resulted in a dramatic improvement of the quality of two of the four nucleon electromagnetic form factors, G{sub Ep} and G{sub En}. It has also changed our understanding of the proton structure, having resulted in a distinctly different Q{sup 2}-dependence for both G{sub Ep} and G{sub Mp}, contradicting the prevailing wisdom of the 1990’s based on cross section measurements, namely that G{sub Ep} and G{sub Mp} obey a “scaling” relation μG{sub Ep} ∼ G{sub Mp}. A related consequence of the faster decrease of G{sub Ep} revealed by the Jefferson Lab (JLab) polarization results was the disappearance of the early scaling F{sub 2}/F{sub 1} ∼ 1/Q{sup 2} predicted by perturbative QCD. In three experiments, GEp(1), GEp(2) and GEp(3), in Halls A and C at JLab, the ratio of the proton’s electromagnetic elastic form factors, G{sub Ep}/G{sub Mp}, was measured up to four momentum transfer Q{sup 2} of 8.5 GeV{sup 2} with high precision, using the recoil polarization technique. The initial discovery that the proton form factor ratio measured in these three experiments decreases approximately linearly with four-momentum transfer, Q{sup 2}, for values above ∼ 1 GeV{sup 2}, was modified by the GEp(3) results, which suggests a slowing down of this decrease. There is an approved experiment, GEp(5), to continue these measurements to 15 GeV{sup 2}. A dedicated experimental setup, the super bigbite spectrometer (SBS), will be built for this purpose. It will be equipped with a new focal plane polarimeter to measure the polarization of the recoil protons. In this presentation, I will review the status of the proton elastic electromagnetic form factors, mention succinctly a number of theoretical approaches to describe results and show some features required for the future GEp(5) experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Proton Conducting Sulfonated Poly(Ionic Liquid) Block Copolymers

Herein, we report the synthesis of proton-conducting sulfonated poly(ionic liquid) block copolymers (S-PILBCPs) containing one block with sulfonic acid (sulfonated styrene, SS) and the other with an IL moiety (vinylbenzylmethylimidazolium bis(trifluoromethylsulfonyl)imide, VBMIm-TFSI) using reversible addition–fragmentation chain-transfer (RAFT) polymerization and post-polymerization modifications (i.e., functionalization, anion exchange reactions, and sulfonation). The S-PILBCPs uniquely conjoin the SS block with mobile protons (H + ) and the PIL block with mobile anions (TFSI – ), where multiple highly desired properties, including high proton conductivity (from the SS block), and high IL-philicity and oxygen solubility (from the PIL block) can exist compartmentally within a microphase separated morphology (evidenced by differential scanning calorimetry (DSC) and small-angle X-ray scattering (SAXS)). High ion conductivity of 79.7 mS/cm at a PIL block composition of 21.6 mol % was observed at 80 °C and 90% relative humidity (RH) (comparable to the benchmark Nafion ionomer). This work successfully demonstrates the design of S-PILBCPs as a new material platform and showcases its promise as an ionomer for proton exchange membrane fuel cells (PEMFCs) as they simultaneously and compartmentally combine proton conductivity and oxygen solubility. Furthermore, these benefits have recently been leveraged to achieve substantial improvement in oxygen reduction reaction (ORR) activity and subsequently fuel cell performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires

Designing molecular platforms for controlling proton and electron movement in artificial photosynthetic systems is crucial to efficient catalysis and solar energy conversion. The transfer of both protons and electrons during a reaction is known as proton-coupled electron transfer (PCET) and is used by nature in myriad ways to provide low overpotential pathways for redox reactions and redox leveling, as well as to generate bioenergetic proton currents. Herein, we describe theoretical and electrochemical studies of a series of bioinspired benzimidazole-phenol (BIP) derivatives and a series of dibenzimidazole-phenol (BI 2 P) analogs with each series bearing the same set of terminal proton-accepting (TPA) groups. The set of TPAs spans more than 6 pK a units. These compounds have been designed to explore the role of the bridging benzimidazole(s) in a one-electron oxidation process coupled to intramolecular proton translocation across either two (the BIP series) or three (the BI 2 P series) acid/base sites. These molecular constructs feature an electrochemically active phenol connected to the TPA group through a benzimidazole-based bridge, which together with the phenol and TPA group form a covalent framework supporting a Grotthuss-type hydrogen-bonded network. Infrared spectroelectrochemistry demonstrates that upon oxidation of the phenol, protons translocate across this well-defined hydrogen-bonded network to a TPA group. The experimental data show the benzimidazole bridges are non-innocent participants in the PCET process in that the addition of each benzimidazole unit lowers the redox potential of the phenoxyl radical/phenol couple by 60 mV, regardless of the nature of the TPA group. Using a series of hypothetical thermodynamic steps, density functional theory calculations correctly predicted the dependence of the redox potential of the phenoxyl radical/phenol couple on the nature of the final protonated species and provided insight into the thermodynamic role of dibenzimidazole units in the PCET process. This information is crucial for developing molecular “dry proton wires” with these moieties, which can transfer protons via a Grotthuss-type mechanism over long distances without the intervention of water molecules.

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

Experimental validation of the TOPAS Monte Carlo system for passive scattering proton therapy

Purpose: TOPAS (TOol for PArticle Simulation) is a particle simulation code recently developed with the specific aim of making Monte Carlo simulations user-friendly for research and clinical physicists in the particle therapy community. The authors present a thorough and extensive experimental validation of Monte Carlo simulations performed with TOPAS in a variety of setups relevant for proton therapy applications. The set of validation measurements performed in this work represents an overall end-to-end testing strategy recommended for all clinical centers planning to rely on TOPAS for quality assurance or patient dose calculation and, more generally, for all the institutions using passive-scattering proton therapy systems. Methods: The authors systematically compared TOPAS simulations with measurements that are performed routinely within the quality assurance (QA) program in our institution as well as experiments specifically designed for this validation study. First, the authors compared TOPAS simulations with measurements of depth-dose curves for spread-out Bragg peak (SOBP) fields. Second, absolute dosimetry simulations were benchmarked against measured machine output factors (OFs). Third, the authors simulated and measured 2D dose profiles and analyzed the differences in terms of field flatness and symmetry and usable field size. Fourth, the authors designed a simple experiment using a half-beam shifter to assess the effects of multiple Coulomb scattering, beam divergence, and inverse square attenuation on lateral and longitudinal dose profiles measured and simulated in a water phantom. Fifth, TOPAS’ capabilities to simulate time dependent beam delivery was benchmarked against dose rate functions (i.e., dose per unit time vs time) measured at different depths inside an SOBP field. Sixth, simulations of the charge deposited by protons fully stopping in two different types of multilayer Faraday cups (MLFCs) were compared with measurements to benchmark the nuclear interaction models used in the simulations. Results: SOBPs’ range and modulation width were reproduced, on average, with an accuracy of +1, −2 and ±3 mm, respectively. OF simulations reproduced measured data within ±3%. Simulated 2D dose-profiles show field flatness and average field radius within ±3% of measured profiles. The field symmetry resulted, on average in ±3% agreement with commissioned profiles. TOPAS accuracy in reproducing measured dose profiles downstream the half beam shifter is better than 2%. Dose rate function simulation reproduced the measurements within ∼2% showing that the four-dimensional modeling of the passively modulation system was implement correctly and millimeter accuracy can be achieved in reproducing measured data. For MLFCs simulations, 2% agreement was found between TOPAS and both sets of experimental measurements. The overall results show that TOPAS simulations are within the clinical accepted tolerances for all QA measurements performed at our institution. Conclusions: Our Monte Carlo simulations reproduced accurately the experimental data acquired through all the measurements performed in this study. Thus, TOPAS can reliably be applied to quality assurance for proton therapy and also as an input for commissioning of commercial treatment planning systems. This work also provides the basis for routine clinical dose calculations in patients for all passive scattering proton therapy centers using TOPAS.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2020

Interplanetary Protons versus Interacting Protons in the 2017 September 10 Solar Eruptive Event

We analyze the relativistic proton emission from the Sun during the eruptive event on 2017 September 10, which caused a ground-level enhancement (GLE 72) registered by the worldwide network of neutron monitors. Using the neutron monitor data and interplanetary transport modeling both along and across interplanetary magnetic field (IMF) lines, we deduce parameters of the proton injection into the interplanetary medium. The inferred injection profile of the interplanetary protons is compared with the profile of the >100 MeV γ -ray emission observed by the Fermi Large Area Telescope, attributed to pion production from the interaction of >300 MeV protons at the Sun. GLE 72 started with a prompt component that arrived along the IMF lines. This was followed by a more prolonged enhancement caused by protons arriving at the Earth across the IMF lines from the southwest. The interplanetary proton event is modeled using two sources—one source at the root of the Earth-connected IMF line and another source situated near the solar western limb. The maximum phase of the second injection of interplanetary protons coincides with the maximum phase of the prolonged >100 MeV γ -ray emission that originated from a small area at the solar western limb, below the current sheet trailing the associated coronal mass ejection (CME). A possible common source of interacting protons and interplanetary protons is discussed in terms of proton acceleration at the CME bow shock versus coronal (re-)acceleration in the wake of the CME.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

SU-E-J-37: Combining Proton Radiography and X-Ray CT Information to Better Estimate Relative Proton Stopping Power in a Clinical Environment

Purpose: In standard proton therapy clinical practice, proton stopping power uncertainties are in the order of 3.5%, which affects the ability of placing the proton Bragg peak at the edge of the tumor. The innovating idea of this project is to approach the uncertainty problem in RSP by using combined information from X-ray CT and proton radiography along a few beam angles. In addition, this project aims to quantify the systematic error introduced by the theoretical models (Janni, ICRU49, Bischel) for proton stopping power in media. Methods: A 3D phantom of 36 cm3 composed of 9 materials randomly placed is created. Measured RSP values are obtained using a Gammex phantom with a proton beam. Theoretical RSP values are calculated with Beth-Block equation in combination with three databases (Janni, ICRU49 and Bischel). Clinical RSP errors are simulated by introducing a systematic (1.5%, 2.5%, 3.5%) and a random error (+/−0.5%) to the theoretical RSP. A ray-tracing algorithm uses each of these RSP tables to calculate energy loss for proton crossing the phantom through various directions. For each direction, gradient descent (GD) method is done on the clinical RSP table to minimize the residual energy difference between the simulation with clinical RSP and with theoretical RSP. The possibility of a systematic material dependent error is investigated by comparing measured RSP to theoretical RSP as calculated from the three models. Results: Using 10,000 iterations on GD algorithm, RSP differences between theoretical values and clinical RSP have converged (<1%) for each error introduced. Results produced with ICRU49 have the smallest average difference (0.021%) to the measured RSP. Janni (1.168%) and Bischel (−0.372%) database shows larger systematic errors. Conclusion: Based on these results, ray-tracing optimisation using information from proton radiography and X-ray CT demonstrates a potential to improve the proton range accuracy in a clinical environment.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2015

Sparse-view proton computed tomography using modulated proton beams

Purpose: Proton imaging that uses a modulated proton beam and an intensity detector allows a relatively fast image acquisition compared to the imaging approach based on a trajectory tracking detector. In addition, it requires a relatively simple implementation in a conventional proton therapy equipment. The model of geometric straight ray assumed in conventional computed tomography (CT) image reconstruction is however challenged by multiple-Coulomb scattering and energy straggling in the proton imaging. Radiation dose to the patient is another important issue that has to be taken care of for practical applications. In this work, the authors have investigated iterative image reconstructions after a deconvolution of the sparsely view-sampled data to address these issues in proton CT. Methods: Proton projection images were acquired using the modulated proton beams and the EBT2 film as an intensity detector. Four electron-density cylinders representing normal soft tissues and bone were used as imaged object and scanned at 40 views that are equally separated over 360°. Digitized film images were converted to water-equivalent thickness by use of an empirically derived conversion curve. For improving the image quality, a deconvolution-based image deblurring with an empirically acquired point spread function was employed. They have implemented iterative image reconstruction algorithms such as adaptive steepest descent-projection onto convex sets (ASD-POCS), superiorization method–projection onto convex sets (SM-POCS), superiorization method–expectation maximization (SM-EM), and expectation maximization-total variation minimization (EM-TV). Performance of the four image reconstruction algorithms was analyzed and compared quantitatively via contrast-to-noise ratio (CNR) and root-mean-square-error (RMSE). Results: Objects of higher electron density have been reconstructed more accurately than those of lower density objects. The bone, for example, has been reconstructed within 1% error. EM-based algorithms produced an increased image noise and RMSE as the iteration reaches about 20, while the POCS-based algorithms showed a monotonic convergence with iterations. The ASD-POCS algorithm outperformed the others in terms of CNR, RMSE, and the accuracy of the reconstructed relative stopping power in the region of lung and soft tissues. Conclusions: The four iterative algorithms, i.e., ASD-POCS, SM-POCS, SM-EM, and EM-TV, have been developed and applied for proton CT image reconstruction. Although it still seems that the images need to be improved for practical applications to the treatment planning, proton CT imaging by use of the modulated beams in sparse-view sampling has demonstrated its feasibility.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-C-204-04: Patient Specific Proton Stopping Powers Estimation by Combining Proton Radiography and Prior-Knowledge X-Ray CT Information

Purpose: The material relative stopping power (RSP) uncertainty is the highest contributor to the range uncertainty in proton therapy. The purpose of this work is to develop a robust and systematic method that yields accurate, patient specific, RSP by combining 1) pre-treatment x-ray CT and 2) daily proton radiograph of the patient. Methods: The method is formulated as a linear least-square optimization problem (min||Ax-B||2). The parameter A represents the pathlength crossed by the proton in each material. The RSPs for the materials (water equivalent thickness (WET)/physical thickness) are denoted by x. B is the proton radiograph expressed as WET crossed. The problem is minimized using a convex-conic optimization algorithm with xi<xi+1 constraint. The Gammex RMI-465 phantom, with 13 material inserts, is used to investigate the optimal RSPs. The proton radiograph (B) is produced using Geant4 simulation. The matrix A is computed by calculating proton trajectories through the CT with the cubic-spline approach. Geant4 RSPs are used as reference and the clinical HU-RSP calibration curve is used as comparison. The convergence is investigated as a function of the number of angles and protons used. The radiographs angle which yield the most accurate RSPs are investigated. Results: Optimization with 9 angles and 104 protons/angle yields precise RSP (<0.75%) for all materials, except plastic lung (1.5%). Average deviation relative to Geant4 RSP is 0.5% and 3.5% using HU-RSP. Using more than two angles or more than 4×103 proton does not further increase the RSP estimate accuracy. The insert distance to the beam initial plane is related to the RSP error for this insert material. Specific filters are applied on the proton angle and energy loss to remove nuclear interaction artefacts. Conclusion: The proposed formulation of the problem with prior knowledge x-ray CT demonstrates serious potential to increase the accuracy of present RSP estimates.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

MO-F-CAMPUS-J-01: Acoustic Range Verification of Proton Beams: Simulation of Heterogeneity and Clinical Proton Pulses

Purpose: Through simulation, to assess acoustic-based range verification of proton beams (protoacoustics) under clinical conditions. Methods: Pressure waves generated by the energy deposition of a 150 MeV, 8 mm FWHM pulsed pencil proton beam were numerically simulated through two Methods: 1) For a homogeneous water medium, an analytical wave-equation solution was used to calculate the time-dependent pressure measured at detector points surrounding the proton Bragg peak. 2) For heterogeneity studies, a CT tissue image was used to calculate the proton dose deposition and define the acoustic properties of the voxels through which numerical pressure wave propagation was simulated with the k-Wave matlab toolbox. The simulations were used to assess the dependence of the acoustic amplitude and range-verification accuracy on proton pulse rise time and tissue heterogeneity. Results: As the proton pulse rise time is increased from 1 to 40 µs, the amplitude of the expected acoustic emission decreases (a 60% drop distal to the Bragg peak), the central frequency of the expected signal decreases (from 45 to 6 kHz), and the accuracy of the range-verification decreases (from <1 mm to 16 mm at 5 cm distal to the Bragg peak). For a 300 nA pulse, the expected pressure range is on the order of 0.1 Pa, which is observable with commercial detectors. For the heterogeneous medium, our test case shows that pressure waves emitted by an anterior pencil beam directed into the abdomen and detected posteriorly can determine the Bragg peak range to an accuracy of <2mm for a 1 µs proton pulse. Conclusion: For proton pulses with fast rise-times, protoacoustics is a promising potential method for monitoring penetration depth through heterogeneous tissue. The loss of range-verification accuracy with increasing rise-times, however, suggests the need for comparisons to modeling to improve accuracy for slower cyclotron proton sources.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

Beyond the proton drip line: Bayesian analysis of proton-emitting nuclei

The limits of the nuclear landscape are determined by nuclear binding energies. Beyond the proton drip lines, where the separation energy becomes negative, there is not enough binding energy to prevent protons from escaping the nucleus. Predicting properties of unstable nuclear states in the vast territory of proton emitters poses an appreciable challenge for nuclear theory as it often involves far extrapolations. In addition, significant discrepancies between nuclear models in the proton-rich territory call for quantified predictions. With the help of Bayesian methodology, we mix a family of nuclear mass models corrected with statistical emulators trained on the experimental mass measurements, in the proton-rich region of the nuclear chart. Separation energies were computed within nuclear density functional theory using several Skyrme and Gogny energy density functionals. We also considered mass predictions based on two models used in astrophysical studies. Quantified predictions were obtained for each model using Bayesian Gaussian processes trained on separation-energy residuals and combined via Bayesian model averaging. Here, we obtained a good agreement between averaged predictions of statistically corrected models and experiment. In particular, we quantified model results for one- and two-proton separation energies and derived probabilities of proton emission. This information enabled us to produce a quantified landscape of proton-rich nuclei. The most promising candidates for two-proton decay studies have been identified. Finally, the methodology used in this work has broad applications to model-based extrapolations of various nuclear observables. It also provides a reliable uncertainty quantification of theoretical predictions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

SU-E-T-47: A Monte Carlo Model of a Spot Scanning Proton Beam Based On a Synchrotron Proton Therapy Accelerator

Purpose: To build the model of a spot scanning proton beam for the dose calculation of a synchrotron proton therapy accelerator, which is capable of accelerating protons from 50 up to 221 MeV. Methods: The spot scanning beam nozzle is modeled using TOPAS code, a simulation tool based on Geant4.9.6. The model contained a beam pipe vacuum window, a beam profile monitor, a drift chamber, two plane-parallel ionization chambers, and a spot-position monitor consisted of a multiwire ionization chamber. A water phantom is located with its upstream surface at the isocenter plane. The initial proton beam energy and anglar deflection are modeled using a Gaussian distribution with FWHM (Full Widths at Half Maximum) deponding on its beam energy. The phase space file (PSF) on a virtual surface located at the center between the two magnets is recorded. PSF is used to analyze the pencil beam features and offset the pencil beam position. The source model parameters are verificated by fitting the simulated Result to the measurement. Results: The simulated percentage depth dose (PDD) and lateral profiles of scanning pencil beams of various incident proton energies are verificated to the measurement. Generally the distance to agreement (DTA) of Bragg peaks is less than 0.2cm. The FWHM of Gaussian anglar distribution was adjusted to fit the lateral profile difference between the simulation and the measurement to less than 2∼3cm. Conclusion: A Monte Carlo model of a spot scanning proton beam was bullt based on a synchrotron proton therapy accelerator. This scanning pencil beam model will be as a block to build the broad proton beam as a proton TPS dose verification tool.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗