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Energy variation of double K -shell photoionization of Ne

Herein we report on an experimental and theoretical study of double K-shell photoionization of Ne over the 2.3–8.5 keV x-ray energy range. The ratio of double-to-single K-shell photoionization cross sections was determined experimentally by measuring the relative rates of the KK–KL 2,3 L 2,3 ( 2 D) Auger hypersatellite and the K–L 2,3 L 2,3 ( 1 D) diagram Auger transitions. By scaling the hypersatellite-diagram Auger-electron ratios to KK/K cross-section ratios, comparison was made with theoretical cross-section ratios of He-like Ne 8+ determined by the R matrix with pseudostates method. The experimental Ne and theoretical Ne 8+ cross-section ratios show similar variations with energy, but the experimental ratios systematically exceed the calculated ratios and also show a lower threshold energy for double K-shell photoionization onset compared to the computed Ne 8+ threshold. The discrepancy is attributed to effects of L-shell electrons not included in the He-like Ne 8+ calculations. Quantified scaling with nuclear charge Z along the He-like isoelectronic sequence indicates that the measured 10-electron Z = 10 double K-shell photoionization cross section behaves like the computed He-like Z = 8.9 cross section, suggesting an effective nuclear screening parameter of s L =1.1 by the additional eight outer L-shell electrons. Experimental results for the energy variations of Auger electron transitions from other multielectron hole states are also discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗

Parton fragment yields derived from minimum-bias jet angular correlations

The unbiased spectra of fragments from large-angle-scattered partons (midrapidity parton fragment distributions) in 200 GeV Au-Au collisions can be accurately described by perturbative QCD (pQCD) methods, revealing that a substantial population of parton fragments is present in hadron spectra at low transverse momentum (p{sub t}). Angular correlations including all accepted hadron pairs above some low threshold p{sub t} (minimum-bias correlations) contain jetlike structures with most-probable hadron momentum {approx}1 GeV/c. In this study, we convert minimum-bias jetlike angular correlations to single-particle hadron yields and compare them with parton fragment yields inferred from differential spectrum analysis (spectrum hard components). We find that jetlike correlations in central 200 GeV Au-Au collisions correspond quantitatively to pQCD predictions, and the jet-correlated hadron yield comprises one third of the Au-Au final state in central collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

On the consistency of Monte Carlo track structure DNA damage simulations

Purpose: Monte Carlo track structures (MCTS) simulations have been recognized as useful tools for radiobiological modeling. However, the authors noticed several issues regarding the consistency of reported data. Therefore, in this work, they analyze the impact of various user defined parameters on simulated direct DNA damage yields. In addition, they draw attention to discrepancies in published literature in DNA strand break (SB) yields and selected methodologies. Methods: The MCTS code Geant4-DNA was used to compare radial dose profiles in a nanometer-scale region of interest (ROI) for photon sources of varying sizes and energies. Then, electron tracks of 0.28 keV–220 keV were superimposed on a geometric DNA model composed of 2.7 × 10{sup 6} nucleosomes, and SBs were simulated according to four definitions based on energy deposits or energy transfers in DNA strand targets compared to a threshold energy E{sub TH}. The SB frequencies and complexities in nucleosomes as a function of incident electron energies were obtained. SBs were classified into higher order clusters such as single and double strand breaks (SSBs and DSBs) based on inter-SB distances and on the number of affected strands. Results: Comparisons of different nonuniform dose distributions lacking charged particle equilibrium may lead to erroneous conclusions regarding the effect of energy on relative biological effectiveness. The energy transfer-based SB definitions give similar SB yields as the one based on energy deposit when E{sub TH} ≈ 10.79 eV, but deviate significantly for higher E{sub TH} values. Between 30 and 40 nucleosomes/Gy show at least one SB in the ROI. The number of nucleosomes that present a complex damage pattern of more than 2 SBs and the degree of complexity of the damage in these nucleosomes diminish as the incident electron energy increases. DNA damage classification into SSB and DSB is highly dependent on the definitions of these higher order structures and their implementations. The authors’ show that, for the four studied models, different yields are expected by up to 54% for SSBs and by up to 32% for DSBs, as a function of the incident electrons energy and of the models being compared. Conclusions: MCTS simulations allow to compare direct DNA damage types and complexities induced by ionizing radiation. However, simulation results depend to a large degree on user-defined parameters, definitions, and algorithms such as: DNA model, dose distribution, SB definition, and the DNA damage clustering algorithm. These interdependencies should be well controlled during the simulations and explicitly reported when comparing results to experiments or calculations.

60 APPLIED LIFE SCIENCES↗

Effect of H and He Irradiation on Cavity Formation and Blistering in Ceramics

Single- or poly-crystalline specimens of SiC, Si{sub 3}N{sub 4}, MgO, Al{sub 2}O{sub 3} and MgAl{sub 2}O{sub 4} were implanted with 0.4-1 MeV H{sup +} or He{sup +} ion beams at room temperature and 650 C up to fluences of {approx}1 x 10{sup 22}/m{sup 2}. This produced peak implanted gas and displacement damage levels as high as {approx}50 at.% and 34 displacements per atom (dpa). The specimens were subsequently examined optically, and in cross-section using transmission electron microscopy. Subsurface blistering occurred for specimens irradiated to H or He fluences greater than about 3 x 10{sup 21}/m{sup 2} ({approx}15 at.% peak implanted gas concentration), and surface exfoliation occurred for fluences above {approx}1 x 10{sup 22}/m{sup 2} ({approx}40 at.% implanted gas). Both helium and hydrogen had comparable effectiveness for inducing blistering and exfoliation on an atomic basis. The threshold blistering and exfoliation fluences for both ions were weakly dependent on temperature between 25 and 650 C. Both H and He were found to be very effective in inducing matrix cavity formation, due to their low solubility in these ceramics. The implanted gas concentrations that resulted in visible cavity formation generally ranged from 1 to 5 at.%. Visible cavity formation was readily induced during room temperature irradiation despite the limited vacancy mobility in these ceramics at room temperature. Three general types of cavity morphologies were observed: isolated cavities, clusters of small cavities (typically associated with dislocation loops), and two-dimensional platelets. Cavity formation was observed to initiate at the periphery of dislocation loops in some cases. During elevated temperature irradiation, cavity formation was often observed to be preferentially associated with certain low-index habit planes, particularly if the habit plane was oriented nearly parallel to the irradiated surface: (0001) and {l_brace}1{bar 1}00{r_brace} for Al{sub 2}O{sub 3}, (0001) for a-SiC, {l_brace}001{r_brace} and {l_brace}110{r_brace} for MgO, and {l_brace}110{r_brace} and {l_brace}111{r_brace} for MgAl{sub 2}O{sub 4}. The bubble formation and blistering behavior of the ceramics was similar to that observed in other studies of metals irradiated at comparable homologous temperatures. Ionization-induced diffusion effects associated with dual-beam light ion irradiation appeared to exert only a weak effect on cavity and dislocation loop growth compared to the single ion irradiation conditions.

08 HYDROGEN↗

MO-PIS-Exhibit Hall-01: Imaging: CT Dose Optimization Technologies I

Partners in Solutions is an exciting new program in which AAPM partners with our vendors to present practical “hands-on” information about the equipment and software systems that we use in our clinics. The imaging topic this year is CT scanner dose optimization capabilities. Note that the sessions are being held in a special purpose room built on the Exhibit Hall Floor, to encourage further interaction with the vendors. Dose Optimization Capabilities of GE Computed Tomography Scanners Presentation Time: 11:15 – 11:45 AM GE Healthcare is dedicated to the delivery of high quality clinical images through the development of technologies, which optimize the application of ionizing radiation. In computed tomography, dose management solutions fall into four categories: employs projection data and statistical modeling to decrease noise in the reconstructed image - creating an opportunity for mA reduction in the acquisition of diagnostic images. Veo represents true Model Based Iterative Reconstruction (MBiR). Using high-level algorithms in tandem with advanced computing power, Veo enables lower pixel noise standard deviation and improved spatial resolution within a single image. Advanced Adaptive Image Filters allow for maintenance of spatial resolution while reducing image noise. Examples of adaptive image space filters include Neuro 3-D filters and Cardiac Noise Reduction Filters. AutomA adjusts mA along the z-axis and is the CT equivalent of auto exposure control in conventional x-ray systems. Dynamic Z-axis Tracking offers an additional opportunity for dose reduction in helical acquisitions while SmartTrack Z-axis Tracking serves to ensure beam, collimator and detector alignment during tube rotation. SmartmA provides angular mA modulation. ECG Helical Modulation reduces mA during the systolic phase of the heart cycle. SmartBeam optimization uses bowtie beam-shaping hardware and software to filter off-axis x-rays - minimizing dose and reducing x-ray scatter. The DICOM Radiation Dose Structured Report (RDSR) generates a dose report at the conclusion of every examination. Dose Check preemptively notifies CT operators when scan parameters exceed user-defined dose thresholds. DoseWatch is an information technology application providing vendor-agnostic dose tracking and analysis for CT (and all other diagnostic x-ray modalities) SnapShot Pulse improves coronary CTA dose management. VolumeShuttle uses two acquisitions to increase coverage, decrease dose, and conserve on contrast administration. Color-Coding for Kids applies the Broselow-Luten Pediatric System to facilitate pediatric emergency care and reduce medical errors. FeatherLight achieves dose optimization through pediatric procedure-based protocols. Adventure Series scanners provide a child-friendly imaging environment promoting patient cooperation with resultant reduction in retakes and patient motion. Philips CT Dose Optimization Tools and Advanced Reconstruction Presentation Time: 11:45 ‘ 12:15 PM The first part of the talk will cover “Dose Reduction and Dose Optimization Technologies” present in Philips CT Scanners. The main Technologies to be presented include: DoseRight and tube current modulation (DoseRight, Z-DOM, 3D-DOM, DoseRight Cardiac) Special acquisition modes Beam filtration and beam shapers Eclipse collimator and ClearRay collimator NanoPanel detector DoseRight will cover automatic tube current selection that automatically adjusts the dose for the individual patient. The presentation will explore the modulation techniques currently employed in Philips CT scanners and will include the algorithmic concepts as well as illustrative examples. Modulation and current selection technologies to be covered include the Automatic Current Selection component of DoseRight, ZDOM longitudinal dose modulation, 3D-DOM (combination of longitudinal and rotational dose modulation), Cardiac Dose right (an ECG based dose modulation scheme), and the DoseRight Index (DRI) IQ index. The special acquisition modes covers acquisition techniques such as prospective gating that is designed to reduce exposure to the patient through the Cardiac Step and Shoot scan mode. This mode can substitute the much higher dose retrospective scan modes for certain types of cardiac imaging. The beam filtration and beam shaper portion will discuss the variety of filtration and beam shaping configurations available on Philips scanners. This topic includes the x-ray beam characteristics, tube filtration as well as dose compensator characteristics. The Eclipse collimator, ClearRay collimator and the NanoPanel detector portion will discuss additional technologies specific to wide coverage CT that address some of the unique challenges encountered and techniques employed to optimize image quality and optimize dose utilization. The Eclipse collimator reduces extraneous exposure by actively blocking the radiation tails at either end of helical scans that do not contribute to the image generation. The ClearRay collimator and the NanoPanel detector optimize the quality of the signal that reaches the detectors by addressing the increased scattered radiation present in wide coverage and the NanoPanel detector adds superior electronic noise characteristics valuable when imaging at a low dose level. The second part of the talk will present “Advanced Reconstruction Technologies” currently available on Philips CT Scanners. The talk will cover filtered back projection (FBP), iDose4 and Iterative Model Reconstruction (IMR). Each reconstruction method will include a discussion of the algorithm as well as similarities and differences between the algorithms. Examples illustrating the merits of each algorithm will be presented, and techniques and metrics to characterize the performance of each type of algorithm will be presented. The Filtered Back projection portion will discuss and provide a brief summary of relevant standard image reconstruction techniques in common use, and discuss the common tradeoffs when using the FBP algorithm. The iDose4 portion will present the algorithms used for iDose4 as well the different levels. The meaning of different levels of iDose4 available will be presented and quantified. Guidelines for selection iDose4 parameters based on the imaging need will be explained. The different image quality goals available with iDose4 and specifically how iDose4 enables noise reduction, spatial resolution improvement or both will be explained. The approaches to leveraging the benefits of iDose4 such as improved spatial resolution, decreased noise, and artifact prevention will be described and quantified; and measurements and metrics behind the improvements will be presented. The image quality benefits in specific imaging situations as well as how to best combine the technology with other dose reduction strategies to ensure the best image quality at a given dose level will be presented. Insight into the IMR algorithm as well as contrast to the iDose4 techniques and performance characteristics will be discussed. Metrics and techniques for characterizing this class of algorithm and IQ performance will be presented. The image quality benefits and the dose reduction capabilities of IMR will be explored. Illustrative examples of the noise reduction, spatial resolution improvement, and low contrast detectability improvements of the reconstruction method will be presented: clinical cases and phantom measurements demonstrating the benefits of IMR in the areas of low dose imaging, spatial resolution and low contrast resolution are discussed and the technical details behind the measurements will be presented compared to both iDose4 and traditional filtered back projection (FBP)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Production of extended plasma channels in atmospheric air by amplitude-modulated UV radiation of GARPUN-MTW Ti : sapphire-KrF laser. Part 2. Accumulation of plasma electrons and electric discharge control

The problem of the production of extended ({approx}1 m) plasma channels is studied in atmospheric air by amplitude-modulated laser pulses of UV radiation, which are a superposition of a subpicosecond USP train amplified in a regenerative KrF amplifier with an unstable confocal resonator and a quasi-stationary lasing pulse. The USPs possess a high (0.2-0.3 TW) peak power and efficiently ionise oxygen molecules due to multiphoton ionisation, and the quasi-stationary lasing pulse, which has a relatively long duration ({approx}100 ns), maintains the electron density at a level n{sub e} = (3-5) Multiplication-Sign 10{sup 14} cm{sup -3} by suppressing electron attachment to oxygen. Experiments in laser triggering of high-voltage electric discharges suggest that the use of combined pulses results in a significant lowering of the breakdown threshold and enables controlling the discharge trajectory with a higher efficiency in comparison with smooth pulses. It was shown that controlled breakdowns may develop with a delay of tens of microseconds relative to the laser pulse, which is many orders of magnitude greater than the lifetime of free electrons in the laser-induced plasma. We propose a mechanism for this breakdown, which involves speeding-up of the avalanche ionisation of the air by negative molecular oxygen ions with a low electron binding energy ({approx}0.5 eV) and a long lifetime ({approx}1 ms), which are produced upon cessation of the laser pulse. (extreme light fields and their applications)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Theoretical level energies, radiative lifetimes and transitions in W IX

The atomic states of the W IX (W{sup 8+}) tungsten ion lying below the W{sup 9+} ionisation threshold have been studied theoretically, employing the multiconfiguration Dirac–Hartree–Fock method with configuration interaction. The level electronic structures and their energies are presented. The electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) radiative transitions have been computed in order to calculate the radiative lifetimes of given states. Transition wavelengths, energies, and decay rates are also presented for selected high-intensity E1 transitions. The configuration interaction method was applied to estimate electron correlation effects. The aim of the present research was to fill a lack of atomic data for low-charged tungsten ions, which may be useful in low-temperature plasma diagnostics and may form the base for collisional–radiative modelling of spectra for low-charged tungsten ions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Tonopah Test Range Air Monitoring: CY2018 Meteorological, Radiological, and Wind Transported Particulate Observations

In 1963, the U.S. Department of Energy (DOE) (formerly the Atomic Energy Commission [AEC]), implemented Operation Roller Coaster on the Tonopah Test Range (TTR) and an adjacent area of the Nevada Test and Training Range (NTTR) (formerly the Nellis Air Force Range). This operation resulted in radionuclide-contaminated soils at the Double Tracks site and Clean Slate I, II, and III sites. This report documents observations made during ongoing monitoring of radiological, meteorological, and dust conditions at stations installed adjacent to the Clean Slate sites and at the TTR Sandia National Laboratories (SNL) Range Operations Center (ROC). The primary objective of the monitoring effort is to support the DOE Environmental Management Nevada Program (EM NV) in the safe remediation of the environmental legacy of nuclear device development and testing by determining if wind blowing across the Clean Slate sites is transporting particles of radionuclide-contaminated soil beyond the physical and administrative boundaries of the sites, and to provide information for designing long-term monitoring of the sites. The monitoring program in 2018 included five stations. Station 400, located within TTR Area 3 and near the ROC, monitors conditions near the local workforce center. Stations 401 and 403 are located on the northern and southeastern perimeter fence lines, respectively, of the Clean Slate III site. Stations 404 and 405 are along the northern and eastern boundary fence, respectively, at Clean Slate II. The stations are generally downwind of the contaminated areas during either northwesterly or southerly winds, which are the predominant wind directions. The stations—which are similar in design to the Community Environmental Monitoring Program (CEMP) stations operating at locations surrounding the Nevada National Security Site and TTR—include meteorological instruments and continuous-flow, low-volume air samplers. Three pressurized ionization chambers for measuring gamma energy are in use at Stations 400, 401, and 403. Saltation sensors and saltation traps are deployed at the stations adjacent to the Clean Slate sites. Detailed meteorological data are recorded on data loggers, with periodic uploads via a satellite system to the Western Regional Climate Center (WRCC) at Desert Research Institute (DRI), to monitor instrument and site conditions. Air filter samples are collected every two weeks and the deposits in the saltation traps are collected when a sufficient sample mass for analysis has accumulated (generally a six- to eight-month interval). Monitoring at TTR in calendar year (CY) 2018 provided surveillance of both ambient conditions, and ground disturbance associated with remediation activities at Clean Slate II and III. The first half of CY2018 data from Stations 404 and 405 at Clean Slate II were collected during remediation activities at that site, and data collected during the final third of the year at Stations 401 and 403 at Clean Slate III coincided with remediation work at the site. Ambient conditions prevailed at Station 400 throughout the year. Dust transport by suspension and saltation is strongly dependent on wind speed. Concentrations of PM 10 (particulate matter of aerodynamic diameter ≤10 micrometers [μm], a size fraction of small particles that are suspended in the air and can be easily inhaled) remain low until winds exceed approximately 32 kilometers per hour (km/hr) (20 miles per hour [mph]). Saltation particle counts also increase above the same general threshold wind speed. Wind speeds in excess of 32 km/hr (20 mph) occur less than three percent of the time at the sites. Ground disturbing remediation activities were carried out at Clean Slate II from October 31, 2017, until July 26, 2018. Station 404 is located closest to the remediation area and is downwind of the area when winds are from the south. By late November, analysis of dust from the air sampler at Station 404 registered increases in plutonium-239+240 ( 239+240 Pu) concentrations. Peak plutonium concentrations, accompanied by elevated gross alpha concentrations and the detection of americium-241 ( 241 Am) by gamma spectroscopy, occurred between March and May 2018. During spring and early summer of 2018, elevated radionuclide concentrations were also measured in dust collected from the air sampler at Station 405, which is more than twice the distance from the remediation activity as Station 404. A minor but sustained increase in gross alpha concentration of suspended dust collected at Stations 400, 401, and 403 was also observed starting in May 2018 and continuing into August. Stations 401 and 403 are approximately 4.8 to 6.4 km (three to four miles) from Clean Slate II and Station 400 is approximately 13 km (eight miles) from that site. The radionuclide content of material that saltated into the passive Big Spring Number Eight (BSNE) traps during the Clean Slate II remediation period increased in both the traps facing toward and away from the fenced contamination area at Station 404, with the largest increases in concentration (almost five times the previous 239+240 Pu concentration) observed in the traps facing the fenced area. The radionuclide concentration in material in the trap facing away from the fence more than doubled from that measured in 2017. A similar increase was observed for the saltation trap facing away from the fenced area at Station 405, although no increase was observed for material captured in the trap facing the fenced area. Particles ranging in size from 50 to 500 µm generally move by saltation processes and are not expected to significantly contribute to dose for someone breathing in the standard respiratory zone for adult humans (1.5 to 1.7 m [4.9 to 5.6 ft] above ground level) because they are too large to be entrained in the air as suspended dust. Remediation activities at Clean Slate III began on September 5, 2018, and continued until a brief hiatus started on December 20, 2018. Although Station 401 is much closer to the remediation area than Station 403, the first increase in gross alpha and 239+240 Pu concentrations was noted in dust from filters collected at Station 403 in early November 2018. The highest radionuclide concentrations of 2018 at the Clean Slate III stations were recorded in air samples taken from Stations 401 and 403 in late December 2018 and these concentrations were comparable between the two station locations. Gamma rate data measured by the PICs was slightly higher than the annual average at Stations 401 and 403 after remediation activities began, but no single measurement was outside of the range observed in 2018 prior to remediation activities. No increase in radionuclide concentration was observed for the Clean Slate III remediation time period on air filters collected from the other stations. Radiological monitoring at Station 400—which is located at the ROC, and therefore the closest regularly staffed work location to the Clean Slate sites—recorded a higher mean gross alpha activity from dust collected on air sampler filters than in previous years. The individual biweekly air filters yielded measurements of gross alpha that were at or below the mean plus one standard deviation measured in CY2017, except for the period from April 25, 2018, through September 12, 2018. Nonetheless, gamma spectroscopy of all air filters from Station 400 identified only naturally occurring radionuclides, with no detection of americium-241 ( 241 Am) (which is used as an indicator of plutonium-241[ 241 Pu]). Alpha spectroscopy of selected air filters collected at Station 400 did not detect plutonium-238 ( 238 Pu) or 239+240 Pu above the analytical detection limit. Gross beta and gamma exposure rate data were comparable to data from regional CEMP stations. No saltation traps are deployed at Station 400. Considering the ambient monitoring periods during CY2018, the monitoring stations adjacent to the Clean Slate sites recorded above-background 238 Pu and 239+240 Pu concentrations (SNL, 1998; Turner et al., 2003) in samples collected by passive saltation traps and on selected air filters. These observations were consistent with previous years and indicated that radionuclide movement occurred under ambient conditions by processes of both saltation and suspension. The presence of radionuclides in all saltation traps, both upwind and downwind of the fenced contamination areas, was consistent with previous radiological survey results (EG&G, 1979) that show lower concentration radiologically contaminated material dispersed outside the fenced area. Although 239+240 Pu concentrations in the air filter samples were sometimes orders of magnitude higher than background, the concentrations were below risk-based action levels defined for an industrial area worker scenario (U.S. DOE, 2014). The interception of airborne dust with above-background radionuclide concentrations demonstrates that dispersal processes are continuing. Strong winds are the driver for both suspension and saltation of dust and soil. The recorded wind speed and PM10 during remediation activities at Clean Slate II and III identified discrete wind events lasting approximately five to eight hours each, which accounted for the greatest PM 10 concentrations at the monitoring stations. These events captured the effect of winds from the northwest and from the south. The observed differences in dust loading and radionuclide concentrations for the monitoring stations when they were either upwind or downwind of the contamination area identify the remediation area as a source of plutonium contaminated dust. The increase in concentration of radionuclides in airborne dust during the remediation activities, compared with measurements under previous ambient conditions (mean 239+240 Pu concentrations during remediation activities are approximately nine to 40 times higher compared to pre-remediation concentrations, depending on monitoring station), highlights the impact of land disturbance on wind-borne contaminant transport from the Clean Slate test areas. The meteorological and particulate matter monitoring indicated that conditions for wind-borne contaminant movement exist at the Clean Slate sites, and that transport of radionuclide-contaminated soil by both suspension and saltation occurred under ambient conditions and accelerated when the sites were disturbed. The 239+240 Pu alpha spectroscopy results indicated that airborne concentrations during remediation activities ranged from 2 × 10-16 to 380 × 10-16 µCi/ml. These results can be compared to the derived air concentration limit for 239 Pu of 6 × 10-11 µCi/ml for occupational workers contained in Code of Federal Regulations 10 CFR 835, Occupational Radiation Protection. Even though the air sampling results document an increase in concentration during remediation activities, the observed concentrations are less than 0.06 percent of the occupational limit. The Corrective Action Unit (CAU) closure strategy uses a risk-based approach, whereby acceptable contaminant concentrations are determined as a function of anticipated human exposure.

54 ENVIRONMENTAL SCIENCES↗

Cellular Response to Proton Irradiation: A Simulation Study with TOPAS-nBio

The cellular response to ionizing radiation continues to be of significant research interest in cancer radiotherapy, and DNA is recognized as the critical target for most of the biologic effects of radiation. Incident particles can cause initial DNA damages through physical and chemical interactions within a short time scale. Initial DNA damages can undergo repair via different pathways available at different stages of the cell cycle. The misrepair of DNA damage results in genomic rearrangement and causes mutations and chromosome aberrations, which are drivers of cell death. This work presents an integrated study of simulating cell response after proton irradiation with energies of 0.5–500 MeV (LET of 60–0.2 keV/µm). A model of a whole nucleus with fractal DNA geometry was implemented in TOPAS-nBio for initial DNA damage simulations. The default physics and chemistry models in TOPAS-nBio were used to describe interactions of primary particles, secondary particles, and radiolysis products within the nucleus. The initial DNA double-strand break (DSB) yield was found to increase from 6.5 DSB/Gy/Gbp at low-linear energy transfer (LET) of 0.2 keV/µm to 21.2 DSB/Gy/Gbp at high LET of 60 keV/µm. A mechanistic repair model was applied to predict the characteristics of DNA damage repair and dose response of chromosome aberrations. It was found that more than 95% of the DSBs are repaired within the first 24 h and the misrepaired DSB fraction increases rapidly with LET and reaches 15.8% at 60 keV/µm with an estimated chromosome aberration detection threshold of 3 Mbp. The dicentric and acentric fragment yields and the dose response of micronuclei formation after proton irradiation were calculated and compared with experimental results.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Growth mechanism and composition of ultrasmooth a-C:H:Si films grown from energetic ions for superlubricity

Growth mechanism and ion energy dependence of composition of ultrasmooth a-C:H:Si films grown from ionization of tetramethylsilane (TMS) and toluene mixture at a fixed gas ratio have been investigated by varying the applied bias voltage. The dynamic scaling theory is employed to evaluate the roughness evolution of a-C:H:Si films, and to extract roughness and growth exponents of α ∼ 0.51 and β ∼ 0, respectively. The atomically smooth surface of a-C:H:Si films with Ra ∼ 0.1 nm is thermally activated by the energetic ion-impact induced subsurface “polishing” process for ion dominated deposition. The ion energy (bias voltage) plays a paramount role in determining the hydrogen incorporation, bonding structure and final stoichiometry of a-C:H:Si films. The hydrogen content in the films measured by ERDA gradually decreases from 36.7 to 17.3 at. % with increasing the bias voltage from 0.25 to 3.5 kV, while the carbon content in the films increases correspondingly from 52.5 to 70.1 at. %. The Si content is kept almost constant at ∼9–10 at. %. Depending on the ion-surface interactions, the bonding structure of a-C:H:Si films grown in different ion energy regions evolves from chain-developed polymer-like to cross-linked diamond-like to sp{sup 2}-bonded a–C as revealed by XPS, Raman, and FTIR analysis. Such a structural evolution is reflected in their measured nanomechanical properties such as hardness, modulus, and compressive stress. An enhanced viscoplastic behavior (i.e., viscoplastic exponent of ∼0.06) is observed for polymeric a-C:H:Si films. A hydrogen content threshold (H > 20 at. %) exists for the as-grown a-C:H:Si films to exhibit superlow friction in dry N{sub 2} atmosphere. An extremely low friction coefficient of ∼0.001 can be obtained for polymer-like a-C:H:Si film. These near-frictionless a-C:H:Si films are strongly promising for applications in industrial lubricating systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Analytical electron microscopy investigation of elemental composition and bonding structure at the Sb-doped Ni-fully-silicide/SiO{sub 2} interface

It is very important to control the elemental composition and bonding structure at the gate electrode/gate dielectrics interface in metal-oxide-semiconductor transistor devices because this determines the threshold voltage of the gate electrode. In this study, we investigated the structure at the interface between the antimony (Sb)-doped nickel-fully-silicide gate electrode and SiO{sub 2} dielectrics by employing high-spatial resolution techniques such as energy dispersive x-ray spectroscopy and electron energy-loss spectroscopy using a scanning transmission electron microscope. In one region, we found a thin nickel layer at the NiSi/SiO{sub 2} interface originating from the migration of native oxide at the face of the poly-silicon. In another region, a Sb pileup was detected at the NiSi/SiO{sub 2} interface where the Ni L{sub 3}-edge spectrum showed Ni-Sb bonding, then it was suggested that Sb atoms exist at the bottom of NiSi, substituting for Si atoms in NiSi.

36 MATERIALS SCIENCE↗

SU-F-T-564: 3 Year Experience of Treatment Plan QualityAssurance for Vero SBRT Patients

Purpose: To verify treatment plan monitor units from iPlan treatment planning system for Vero Stereotactic Body Radiotherapy (SBRT) treatment using both software-based and (homogeneous and heterogeneous) phantom-based approaches. Methods: Dynamic conformal arcs (DCA) were used for SBRT treatment of oligometastasis patients using Vero linear accelerator. For each plan, Monte Carlo calculated treatment plans MU (prescribed dose to water with 1% variance) is verified first by RadCalc software with 3% difference threshold. Beyond 3% differences, treatment plans were copied onto (homogeneous) Scanditronix phantom for non-lung patients and copied onto (heterogeneous) CIRS phantom for lung patients and the corresponding plan dose was measured using a cc01 ion chamber. The difference between the planed and measured dose was recorded. For the past 3 years, we have treated 180 patients with 315 targets. Out of these patients, 99 targets treatment plan RadCalc calculation exceeded 3% threshold and phantom based measurements were performed with 26 plans using Scanditronix phantom and 73 plans using CIRS phantom. Mean and standard deviation of the dose differences were obtained and presented. Results: For all patient RadCalc calculations, the mean dose difference is 0.76% with a standard deviation of 5.97%. For non-lung patient plan Scanditronix phantom measurements, the mean dose difference is 0.54% with standard deviation of 2.53%; for lung patient plan CIRS phantom measurements, the mean dose difference is −0.04% with a standard deviation of 1.09%; The maximum dose difference is 3.47% for Scanditronix phantom measurements and 3.08% for CIRS phantom measurements. Conclusion: Limitations in secondary MU check software lead to perceived large dose discrepancies for some of the lung patient SBRT treatment plans. Homogeneous and heterogeneous phantoms were used in plan quality assurance for non-lung patients and lung patients, respectively. Phantom based QA showed the relative good agreement between iPlan calculated dose and measured dose.

60 APPLIED LIFE SCIENCES↗

Validity of the Wannier threshold law for angular correlation width in double photoionization of atoms

We calculated using the ab initio method the three-fold differential cross section of a single-photon double photoionization of helium at equal energy sharing and derived the Gaussian width parameter {gamma}, describing the angular interelectron correlations, for the total electron energy E ranging from 0.1 to 100 eV. The results are in perfect agreement with experimental data. Contrary to common expectations, the results demonstrate that the Wannier threshold law for the Gaussian width parameter {gamma}{proportional_to}E{sup 1/4} is not correct at energies attainable in modern experiments. It is shown that the {gamma} dependence on the energy is much better described by the modified threshold law, obtained by Kazansky and Ostrovsky [J. Phys. B 26, 2231 (1993)]. Also, we explored the Gaussian width parameter for double photoionization of targets with strongly asymmetrical initial-state configuration: the atomic hydrogen negative ion H{sup -} and the helium atom in the 2s {sup 1}S and 3s {sup 1}S excited states. We found that the Gaussian width dependence on the total ejected electron energy for these targets has a maximum at low energies. We also show that the correlation parameter dependence on the interelectron angle for these targets is essentially non-Gaussian and has a number of peaks equal to the number of the initial-state radial nodes, which provide new facilities for the qualitative analysis of the electron structure of the target atom.

74 ATOMIC AND MOLECULAR PHYSICS↗

Highly Contrasting Static Charging and Bias Stress Effects in Pentacene Transistors with Polystyrene Heterostructures Incorporating Oxidizable N , N '-Bis(4-methoxyphenyl)aniline Side Chains as Gate Dielectrics

Charge storage and trapping properties of polymer dielectrics govern the charge densities of adjacent semiconductors and greatly influence the on-off switching voltage (threshold voltage, V th ) of organic field-effect transistors (OFETs) when the polymers are used as gate insulators. Intentional charging of polymer dielectrics in OFETs can change V th and affect the bias stress. We describe a chemical design and fabrication protocol to construct multilayer-stack dielectrics for pentacene-based OFETs using different polystyrene (PS)-based polymers in each layer, with oxidizable N,N-bis(4-methoxyphenyl)anilino (TPAOMe)-substituted styrene copolymers in arbitrary vertical positions in the stacks. Thermal, byproduct-free crosslinking of benzocyclobutene subunits provides integrity to the multilayer structure by preventing dissolution of the previous deposited layer. Neutron reflectivity data verified the multilayer morphology. We compared the Vth shift before and after charging the stacks by application of ±100V across 0.5-1 µm total film thicknesses. Bias stress was the dominant effect in bilayer devices with a TPAOMe layer in contact with the pentacene, indicated by the direction of V th shift associated with either polarity of external electric field. In structures with no TPAOMe subunit in contact with the pentacene, when charging with -100V on top of the source and drain electrodes, electron injection from pentacene to dielectric was the major charging mechanism, again consistent with the bias stress direction. When charging with +100V, bilayer devices without TPAOMe showed little change in V th , suggesting there was no bias stress effect or charge injection in these devices for this charging polarity. For the bilayer devices with the TPAOMe layer in the bottom, and the trilayer devices with TPOMe in the middle, when +100V was applied, the V th shifts were opposite those expected from bias stress. Dipole formation or partial ionization of chargeable groups at the interface between the dielectric layers are likely polarization mechanisms in these cases. A simple analytical model supports the plausibility of these mechanisms. This work provides examples of both stabilization and shifting of V th , and therefore controlling charge carrier density, in semiconductors overlying the dielectric multilayers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimizing the accuracy of a helical diode array dosimeter: A comprehensive calibration methodology coupled with a novel virtual inclinometer

Purpose: The goal of any dosimeter is to be as accurate as possible when measuring absolute dose to compare with calculated dose. This limits the uncertainties associated with the dosimeter itself and allows the task of dose QA to focus on detecting errors in the treatment planning (TPS) and/or delivery systems. This work introduces enhancements to the measurement accuracy of a 3D dosimeter comprised of a helical plane of diodes in a volumetric phantom. Methods: We describe the methods and derivations of new corrections that account for repetition rate dependence, intrinsic relative sensitivity per diode, field size dependence based on the dynamic field size determination, and positional correction. Required and described is an accurate ''virtual inclinometer'' algorithm. The system allows for calibrating the array directly against an ion chamber signal collected with high angular resolution. These enhancements are quantitatively validated using several strategies including ion chamber measurements taken using a ''blank'' plastic shell mimicking the actual phantom, and comparison to high resolution dose calculations for a variety of fields: static, simple arcs, and VMAT. A number of sophisticated treatment planning algorithms were benchmarked against ion chamber measurements for their ability to handle a large air cavity in the phantom. Results: Each calibration correction is quantified and presented vs its independent variable(s). The virtual inclinometer is validated by direct comparison to the gantry angle vs time data from machine log files. The effects of the calibration are quantified and improvements are seen in the dose agreement with the ion chamber reference measurements and with the TPS calculations. These improved agreements are a result of removing prior limitations and assumptions in the calibration methodology. Average gamma analysis passing rates for VMAT plans based on the AAPM TG-119 report are 98.4 and 93.3% for the 3%/3 mm and 2%/2 mm dose-error/distance to agreement threshold criteria, respectively, with the global dose-error normalization. With the local dose-error normalization, the average passing rates are reduced to 94.6 and 85.7% for the 3%/3 mm and 2%/2 mm criteria, respectively. Some algorithms in the convolution/superposition family are not sufficiently accurate in predicting the exit dose in the presence of a 15 cm diameter air cavity. Conclusions: Introduction of the improved calibration methodology, enabled by a robust virtual inclinometer algorithm, improves the accuracy of the dosimeter's absolute dose measurements. With our treatment planning and delivery chain, gamma analysis passing rates for the VMAT plans based on the AAPM TG-119 report are expected to be above 91% and average at about 95% level for {gamma}(3%/3 mm) with the local dose-error normalization. This stringent comparison methodology is more indicative of the true VMAT system commissioning accuracy compared to the often quoted dose-error normalization to a single high value.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Rovibrationally selected ion-molecule collision study using the molecular beam vacuum ultraviolet laser pulsed field ionization-photoion method: Charge transfer reaction of N{sub 2}{sup +}(X {sup 2}{Sigma}{sub g}{sup +}; v{sup +}= 0-2; N{sup +}= 0-9) + Ar

We have developed an ion-molecule reaction apparatus for state-selected absolute total cross section measurements by implementing a high-resolution molecular beam vacuum ultraviolet (VUV) laser pulsed field ionization-photoion (PFI-PI) ion source to a double-quadrupole double-octopole ion-guide mass spectrometer. Using the total cross section measurement of the state-selected N{sub 2}{sup +}(v{sup +}, N{sup +}) + Ar charge transfer (CT) reaction as an example, we describe in detail the design of the VUV laser PFI-PI ion source used, which has made possible the preparation of reactant N{sub 2}{sup +}(X {sup 2}{Sigma}{sub g}{sup +}, v{sup +}= 0-2, N{sup +}= 0-9) PFI-PIs with high quantum state purity, high intensity, and high kinetic energy resolution. The PFI-PIs and prompt ions produced in the ion source are shown to have different kinetic energies, allowing the clean rejection of prompt ions from the PFI-PI beam by applying a retarding potential barrier upstream of the PFI-PI source. By optimizing the width and amplitude of the pulsed electric fields employed to the VUV-PFI-PI source, we show that the reactant N{sub 2}{sup +} PFI-PI beam can be formed with a laboratory kinetic energy resolution of {Delta}E{sub lab}={+-} 50 meV. As a result, the total cross section measurement can be conducted at center-of-mass kinetic energies (E{sub cm}'s) down to thermal energies. Absolute total rovibrationally selected cross sections {sigma}(v{sup +}= 0-2, N{sup +}= 0-9) for the N{sub 2}{sup +}(X {sup 2}{Sigma}{sub g}{sup +}; v{sup +}= 0-2, N{sup +}= 0-9) + Ar CT reaction have been measured in the E{sub cm} range of 0.04-10.0 eV, revealing strong vibrational enhancements and E{sub cm}-dependencies of {sigma}(v{sup +}= 0-2, N{sup +}= 0-9). The thermochemical threshold at E{sub cm}= 0.179 eV for the formation of Ar{sup +} from N{sub 2}{sup +}(X; v{sup +}= 0, N{sup +}) + Ar was observed by the measured {sigma}(v{sup +}= 0), confirming the narrow {Delta}E{sub cm} spread achieved in the present study. The {sigma}(v{sup +}= 0-2; N{sup +}) values obtained here are compared with previous experimental and theoretical results. The theoretical predictions calculated based on the Landau-Zener-Stueckelberg formulism are found to be in fair agreement with the present measured {sigma}(v{sup +}= 1 or 2; N{sup +}). Taking into account of the experimental uncertainties, the measured {sigma}(v{sup +}= 1 or 2, N{sup +}) for N{sup +}= 0-9 at E{sub cm}= 0.04-10.0 eV are found to be independent of N{sup +}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

THE PROPERTIES OF X-RAY COLD FRONTS IN A STATISTICAL SAMPLE OF SIMULATED GALAXY CLUSTERS

We examine the incidence of cold fronts in a large sample of galaxy clusters extracted from a (512 h {sup -1} Mpc) hydrodynamic/N-body cosmological simulation with adiabatic gas physics computed with the Enzo adaptive mesh refinement code. This simulation contains a sample of roughly 4000 galaxy clusters with M {>=}10{sup 14} M{sub sun} at z = 0. For each simulated galaxy cluster, we have created mock 0.3-8.0 keV X-ray observations and spectroscopic-like temperature maps. We have searched these maps with a new automated algorithm to identify the presence of cold fronts in projection. Using a threshold of a minimum of 10 cold front pixels in our images, corresponding to a total comoving length L{sub cf}>156 h {sup -1} kpc, we find that roughly 10%-12% of all projections in a mass-limited sample would be classified as cold front clusters. Interestingly, the fraction of clusters with extended cold front features in our synthetic maps of a mass-limited sample trends only weakly with redshift out to z = 1.0. However, when using different selection functions, including a simulated flux limit, the trending with redshift changes significantly. The likelihood of finding cold fronts in the simulated clusters in our sample is a strong function of cluster mass. In clusters with M>7.5 x 10{sup 14} M{sub sun} the cold front fraction is 40%-50%. We also show that the presence of cold fronts is strongly correlated with disturbed morphology as measured by quantitative structure measures. Finally, we find that the incidence of cold fronts in the simulated cluster images is strongly dependent on baryonic physics.

79 ASTRONOMY AND ASTROPHYSICS↗

VMAT QA: Measurement-guided 4D dose reconstruction on a patient

Purpose: To develop and validate a volume-modulated arc therapy (VMAT) quality assurance (QA) tool that takes as input a time-resolved, low-density ({approx}10 mm) cylindrical surface dose map from a commercial helical diode array, and outputs a high density, volumetric, time-resolved dose matrix on an arbitrary patient dataset. This first validation study is limited to a homogeneous 'patient.'Methods: A VMAT treatment is delivered to a diode array phantom (ARCCHECK, Sun Nuclear Corp., Melbourne, FL). 3DVH software (Sun Nuclear) derives the high-density volumetric dose using measurement-guided dose reconstruction (MGDR). MGDR cylindrical phantom results are then used to perturb the three-dimensional (3D) treatment planning dose on the patient dataset, producing a semiempirical volumetric dose grid. Four-dimensional (4D) dose reconstruction on the patient is also possible by morphing individual sub-beam doses instead of the composite. For conventional (3D) dose comparison two methods were developed, using the four plans (Multi-Target, C-shape, Mock Prostate, and Head and Neck), including their structures and objectives, from the AAPM TG-119 report. First, 3DVH and treatment planning system (TPS) cumulative point doses were compared to ion chamber in a cube water-equivalent phantom ('patient'). The shape of the phantom is different from the ARCCHECK and furthermore the targets were placed asymmetrically. Second, coronal and sagittal absolute film dose distributions in the cube were compared with 3DVH and TPS. For time-resolved (4D) comparisons, three tests were performed. First, volumetric dose differences were calculated between the 3D MGDR and cumulative time-resolved patient (4D MGDR) dose at the end of delivery, where they ideally should be identical. Second, time-resolved (10 Hz sampling rate) ion chamber doses were compared to cumulative point dose vs time curves from 4D MGDR. Finally, accelerator output was varied to assess the linearity of the 4D MGDR with global fluence change. Results: Across four TG-119 plans, the average PTV point dose difference in the cube between 3DVH and ion chamber is 0.1 {+-} 1.0%. Average film vs TPS {gamma}-analysis passing rates are 83.0%, 91.1%, and 98.4% for 1%/2 mm, 2%/2 mm, and 3%/3 mm threshold combinations, respectively, while average film vs 3DVH {gamma}-analysis passing rates are 88.6%, 96.1%, and 99.5% for the same respective criteria. 4D MGDR was also sufficiently accurate. First, for 99.5% voxels in each case, the doses from 3D and 4D MGDR at the end of delivery agree within 0.5%local dose-error/1 mm distance. Moreover, all failing voxels are confined to the edge of the cylindrical reconstruction volume. Second, dose vs time curves track between the ion chamber and 4D MGDR within 1%. Finally, 4D MGDR dose changes linearly with the accelerator output: the difference between cumulative ion chamber and MGDR dose changed by no more than 1% (randomly) with the output variation range of 10%. Conclusions: Even for a well-commissioned TPS, comparison metrics show better agreement on average to MGDR than to TPS on the arbitrary-shaped measurable 'patient.' The method requires no more accelerator time than standard QA, while producing more clinically relevant information. Validation in a heterogeneous thoracic phantom is under way, as is the ultimate application of 4D MGDR to virtual motion studies.

60 APPLIED LIFE SCIENCES↗