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DOE OSTI2023

Extending the thermodynamic form factor bootstrap program: multiple particle-hole excitations, crossing symmetry, and reparameterization invariance

In this study, we further the thermodynamic bootstrap program which involves a set of recently developed ideas used to determine thermodynamic form factors of local operators in integrable quantum field theories. These form factors are essential building blocks for dynamic correlation functions at finite temperatures or non-equilibrium stationary states. In this work we extend this program in three ways. Firstly, we demonstrate that the conjectured annihilation pole axiom is valid in the low energy particle-hole excitations. Secondly, we introduce a crossing relation, which establishes a connection between form factors with different excitation content. Typically, the crossing relation is a consequence of Lorentz invariance, but due to the finite energy density of the considered states, Lorentz invariance is broken. Nonetheless a crossing relation involving excitations with both particles and holes can established using the finite volume representation of the thermodynamic form factors. Finally, we demonstrate that the thermodynamic form factors satisfy a reparameterization invariance, an invariance which encompasses crossing. Reparameterization invariance exploits the fact that the details of the representation of the thermodynamic state are unimportant. In the course of developing these results, we demonstrate the internal consistency of the thermodynamic form factor bootstrap program in a number of ways. Finally, we provide explicit computations of form factors of conserved charges and densities with crossed excitations and show our results can be used to infer information about thermodynamic form factors in the Lieb-Liniger model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Pneumothorax Complicating Coaxial and Non-coaxial CT-Guided Lung Biopsy: Comparative Analysis of Determining Risk Factors and Management of Pneumothorax in a Retrospective Review of 650 Patients

PurposeTo assess the scope and determining risk factors related to the development of pneumothorax throughout CT-guided biopsy of pulmonary lesions in coaxial and non-coaxial techniques and the outcome of its management.Materials and MethodsThe study included CT-guided percutaneous lung biopsies in 650 consecutive patients (407 males, 243 females; mean age 54.6 years, SD 5.2) from November 2008 to June 2013 in a retrospective design. Patients were classified according to lung biopsy technique into coaxial group (318 lesions) and non-coaxial group (332 lesions). Exclusion criteria for biopsy were lesions <5 mm in diameter, uncorrectable coagulopathy, positive-pressure ventilation, severe respiratory compromise, pulmonary arterial hypertension, or refusal of the procedure. Risk factors related to the occurrence of pneumothorax were classified into: (a) Technical risk factors, (b) patient-related risk factors, and (c) lesion-associated risk factors. Radiological assessments were performed by two radiologists in consensus. Mann–Whitney U test and Fisher’s exact tests were used for statistical analysis. p values <0.05 were considered statistically significant.ResultsThe incidence of pneumothorax complicating CT-guided lung biopsy was less in the non-coaxial group (23.2 %, 77 out of 332) than the coaxial group (27 %, 86 out of 318). However, the difference in incidence between both groups was statistically insignificant (p = 0.14). Significant risk factors for the development of pneumothorax in both groups were emphysema (p < 0.001 in both groups), traversing a fissure with the biopsy needle (p value 0.005 in non-coaxial group and 0.001 in coaxial group), small lesion, less than 2 cm in diameter (p value of 0.02 in both groups), location of the lesion in the basal or mid sections of the lung (p = 0.003 and <0.001 in non-coaxial and coaxial groups, respectively), and increased needle track path within the lung tissue of more than 2.5 cm (p = 0.01 in both groups). The incidence of pneumothorax in the non-coaxial group was significantly correlated to the number of specimens obtained (p = 0.006). This factor was statistically insignificant in the coaxial group (p = 0.45). The biopsy yield was more diagnostic and conclusive in the coaxial group in comparison to the non-coaxial group (p = 0.008). Simultaneous incidence of pneumothorax and pulmonary hemorrhage was 27.3 % (21/77) in non-coaxial group and in 30.2 % (26/86) in coaxial group. Conservative management was sufficient for treatment of 91 out of 101 patients of pneumothorax in both groups (90.1 %). Manual evacuation of pneumothorax was efficient in 44/51 patients (86.3 %) in both groups and intercostal chest tube was applied after failure of manual evacuation (7 patients: 13.7 %), from which one patient developed a persistent air leakage necessitating pleurodesis.ConclusionPneumothorax complicating CT-guided core biopsy of pulmonary lesions, showed the insignificant difference between coaxial and non-coaxial techniques. However, both techniques have the same significant risk factors including small and basal lesions, increased lesion’s depth from pleural surface, and increased length of aerated lung parenchyma crossed by biopsy needle and passing through pulmonary fissures in the needle tract.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2015

Extracellular matrix-inspired growth factor delivery systems for bone regeneration

Growth factors are very promising molecules to enhance bone regeneration. However, their translation to clinical use has been seriously limited, facing issues related to safety and cost-effectiveness. These problems derive from the vastly supra-physiological doses of growth factor used without optimized delivery systems. Therefore, these issues have motivated the development of new delivery systems allowing better control of the spatio-temporal release and signaling of growth factors. Because the extracellular matrix (ECM) naturally plays a fundamental role in coordinating growth factor activity in vivo, a number of novel delivery systems have been inspired by the growth factor regulatory function of the ECM. After introducing the role of growth factors during the bone regeneration process, this review exposes different issues that growth factor-based therapies have encountered in the clinic and highlights recent delivery approaches based on the natural interaction between growth factor and the ECM.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2014

Effect of the overlapping factor on the microstructure and mechanical properties of pulsed Nd:YAG laser welded Ti6Al4V sheets

The effect of the overlapping factor on the microstructures and mechanical properties of pulsed Nd:YAG laser welded Ti6Al4V alloy sheets was investigated by microstructural observations, microhardness tests, tensile tests and fatigue tests. A microstructural examination shows that by increasing the overlapping factor, the grains in the fusion zone become coarser, and the width of the heat affected zone increases. As overlapping factor increases, the width of region composed completely of martensite α′ and the secondary α phase in the heat affected zone increases, consequently the gradient of microstructure along the direction from the fusion zone to base metal decreases, so does the gradient of microhardness. The results of tensile and fatigue tests reveal that the joints made using medium overlapping factor exhibit better mechanical properties than those welded with low and high overlapping factors. Based on the experimental results, it can be stated that a sound weld of Ti6Al4V alloy can be obtained if an appropriate overlapping factor is used. - Highlights: • The weld quality of Ti6Al4V alloy under various overlapping factors was assessed. • Tensile and fatigue tests were conducted with as-welded specimen. • Localized strain across the weld was measured using DIC photogrammetry system. • A sound weld of Ti6Al4V alloy is obtained by using right overlapping factor.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Design of exchange-correlation functionals through the correlation factor approach

The correlation factor model is developed in which the spherically averaged exchange-correlation hole of Kohn-Sham theory is factorized into an exchange hole model and a correlation factor. The exchange hole model reproduces the exact exchange energy per particle. The correlation factor is constructed in such a manner that the exchange-correlation energy correctly reduces to exact exchange in the high density and rapidly varying limits. Four different correlation factor models are presented which satisfy varying sets of physical constraints. Three models are free from empirical adjustments to experimental data, while one correlation factor model draws on one empirical parameter. The correlation factor models are derived in detail and the resulting exchange-correlation holes are analyzed. Furthermore, the exchange-correlation energies obtained from the correlation factor models are employed to calculate total energies, atomization energies, and barrier heights. It is shown that accurate, non-empirical functionals can be constructed building on exact exchange. Avenues for further improvements are outlined as well.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

SU-E-T-101: Determination and Comparison of Correction Factors Obtained for TLDs in Small Field Lung Heterogenous Phantom Using Acuros XB and EGSnrc

Purpose: To determine and compare the correction factors obtained for TLDs in 2 × 2cm{sup 2} small field in lung heterogenous phantom using Acuros XB (AXB) and EGSnrc. Methods: This study will simulate the correction factors due to the perturbation of TLD-100 chips (Harshaw/Thermoscientific, 3 × 3 × 0.9mm{sup 3}, 2.64g/cm{sup 3}) in small field lung medium for Stereotactic Body Radiation Therapy (SBRT). A physical lung phantom was simulated by a 14cm thick composite cork phantom (0.27g/cm{sup 3}, HU:-743 ± 11) sandwiched between 4cm thick Plastic Water (CIRS,Norfolk). Composite cork has been shown to be a good lung substitute material for dosimetric studies. 6MV photon beam from Varian Clinac iX (Varian Medical Systems, Palo Alto, CA) with field size 2 × 2cm{sup 2} was simulated. Depth dose profiles were obtained from the Eclipse treatment planning system Acuros XB (AXB) and independently from DOSxyznrc, EGSnrc. Correction factors was calculated by the ratio of unperturbed to perturbed dose. Since AXB has limitations in simulating actual material compositions, EGSnrc will also simulate the AXB-based material composition for comparison to the actual lung phantom. Results: TLD-100, with its finite size and relatively high density, causes significant perturbation in 2 × 2cm{sup 2} small field in a low lung density phantom. Correction factors calculated by both EGSnrc and AXB was found to be as low as 0.9. It is expected that the correction factor obtained by EGSnrc wlll be more accurate as it is able to simulate the actual phantom material compositions. AXB have a limited material library, therefore it only approximates the composition of TLD, Composite cork and Plastic water, contributing to uncertainties in TLD correction factors. Conclusion: It is expected that the correction factors obtained by EGSnrc will be more accurate. Studies will be done to investigate the correction factors for higher energies where perturbation may be more pronounced.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

SU-E-T-30: A Factor for Converting Dose to a Gold Nanoparticle Mixture to a Biologically-Relevant Dose

Purpose: Monte Carlo studies of gold nanoparticle (GNP) dose enhancement on macroscopic scales in radiotherapy have modeled GNPs in tissue as a homogeneous mixture of gold and tissue. Using an explicit model of GNPs randomly positioned in a small volume (1 µm{sup 3}) of tissue, this study aims to quantify the dose to the biologically relevant component of a goldtissue mixture, enabling a conversion from macroscopically-scored dose. Methods: Using the PENELOPE Monte Carlo code with the penEasy package, we modeled a 1 µm{sup 3} volume containing either a tissue-gold mixture or GNPs suspended in ICRU 4-component tissue at various gold concentrations (0, 5, 10, and 15 mg Au/g tissue) and GNP diameters (20, 30, 40, 50 nm). The volume was irradiated with monoenergetic photon and electron beams, ranging from 110 eV to 6 MeV. Interaction forcing was utilized to increase simulation efficiency. Energy deposition was scored in the tissue for each case and was converted to dose. For each scenario, we calculated a conversion factor, the ratio of dose-to-tissue to dose-to-mixture as a function of energy. Results: The conversion factor was plotted as a function of energy for both photons and electrons. For electrons, the conversion factor was relatively unaffected by any of the parameters, including energy, ranging between 0.98–1.02. For photons, the factor was very energy dependent, with a range of 0.49–1.02. The factor was lowest for 10–100 keV photons. The conversion factor generally decreased with increasing GNP concentration and increasing GNP size. Conclusion: With a large variation in the conversion factor with incident energy, dose deposition is dependent on the spectrum incident on a volume. By scoring the energy spectrum in a given volume, one can provide a scenario-specific conversion factor, allowing fast, detailed Monte Carlo simulations without the need for explicit GNP-definition.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

SU-F-T-67: Correction Factors for Monitor Unit Verification of Clinical Electron Beams

Purpose: Monitor units calculated by electron Monte Carlo treatment planning systems are often higher than TG-71 hand calculations for a majority of patients. Here I’ve calculated tables of geometry and heterogeneity correction factors for correcting electron hand calculations. Method: A flat water phantom with spherical volumes having radii ranging from 3 to 15 cm was created. The spheres were centered with respect to the flat water phantom, and all shapes shared a surface at 100 cm SSD. D{sub max} dose at 100 cm SSD was calculated for each cone and energy on the flat phantom and for the spherical volumes in the absence of the flat phantom. The ratio of dose in the sphere to dose in the flat phantom defined the geometrical correction factor. The heterogeneity factors were then calculated from the unrestricted collisional stopping power for tissues encountered in electron beam treatments. These factors were then used in patient second check calculations. Patient curvature was estimated by the largest sphere that aligns to the patient contour, and appropriate tissue density was read from the physical properties provided by the CT. The resulting MU were compared to those calculated by the treatment planning system and TG-71 hand calculations. Results: The geometry and heterogeneity correction factors range from ∼(0.8–1.0) and ∼(0.9–1.01) respectively for the energies and cones presented. Percent differences for TG-71 hand calculations drop from ∼(3–14)% to ∼(0–2)%. Conclusion: Monitor units calculated with the correction factors typically decrease the percent difference to under actionable levels, < 5%. While these correction factors work for a majority of patients, there are some patient anatomies that do not fit the assumptions made. Using these factors in hand calculations is a first step in bringing the verification monitor units into agreement with the treatment planning system MU.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2019

Precision Measurement of the Proton Magnetic Form Factor at High Q2

Elastic electromagnetic form factors characterize the distribution of electric charge and magnetization current inside the nucleon and reflect the internal structure determined by Quantum Chromodynamics. Existing data on the proton magnetic form factor at high Q2 (the 4-momentum transfer squared) have large statistical and systematic uncertainties. The GMp experiment E12-07-108 was one of the first set of experiments to run in Hall A at Jefferson Lab after the 12 GeV upgrade with the goal of this experiment to precisely measure the electron-proton elastic cross section for Q2 up to 17 GeV2 with an accuracy of better than 2% - several times better than existing data in this Q2 range. This will allow further tests of form factor scaling predicted by pQCD and, additionally, will be an important benchmark for many other experiments where elastic electron-proton scattering is used for normalization. Since, GMp data were taken at lower ?(virtual photon polarization) than SLAC data, the measured cross sections recieve a smaller contribution from the electric form factor. This dissertation analyzed the GMp experiment data for five different kinematic settings determining the form factor with total uncertainties nearly two times smaller than the existing data at these Q2. This dissertation also presents the results of all Fall 2016 and Spring 2016 GMp experiment data. The proton magnetic form factors were extracted using both the Rosenbluth separation method and a parameterization of the form factor ratio (?pGpE=GpM) obtained from a fit to the existing cross section data. At the end of this thesis, the extracted GMp form factor data is compared to the existing data. The results for ?pGpE=GpM from Rosenbluth separations are found to be consistent with previous extractions, but with significantly reduced uncertainties, further highlighting the discrepancy with the polarization transfer technique. This data set can provide significant additional constraints on contributions from two-photon exchange.

Narayan Gautam, Thir↗

DOE OSTI2018

Demonstrating the Value of Human Factors for Process Design in a Controlled Experiment

A controlled between-groups experiment was conducted to demonstrate the value of human factors for process design. Most evidence to convey the benefits of human factors is derived from reactive studies of existing flawed systems designed with little or no human factors involvement. Controlled experiments conducted explicitly to demonstrate the benefits of human factors have been scarce since the 1990s. Further, most previous research focused on product or interface design as opposed to process design. The present study was designed to fill these research gaps. Toward that end, 24 Sandia National Laboratories employees completed a simple visual inspection task simulating receipt inspection. The experimental group process was designed to conform to human factors and visual inspection principles, whereas the control group process was designed without consideration of such principles. Results indicated the experimental group exhibited superior performance accuracy, lower workload, and more favorable usability ratings as compared to the control group. Given the differences observed in the simple task used in the present study, the author concluded that incorporating human factors should have even greater benefits for complex products and processes. The study provides evidence to help human factors practitioners revitalize the critical message regarding the benefits of human factors involvement for a new generation of designers.

42 ENGINEERING↗

DOE OSTI2019

Analytical Examination of the Relationship between Fuel Properties, Engine Efficiency, and R Factor Values

The variability in gasoline energy content, though most frequently not a consumer concern, is an issue of concern for vehicle manufacturers in demonstrating compliance with regulatory requirements. Advancements in both vehicle technology, test methodology, and fuel formulations have increased the level of visibility and concern with regard to the energy content of fuels used for regulatory testing. The R factor was introduced into fuel economy calculations for vehicle certification in the late 1980s as a means of addressing batch-to-batch variations in the heating value of certification fuels and the resulting variations in fuel economy results. While previous studies have investigated values of the R factor for modern vehicles through experimentation, subsequent engine studies have made clear that it is difficult to distinguish between the confounding factors that influence engine efficiency when R is being studied experimentally. The proposed study focuses on an analytical approach to examining the heating value effects so that R values can be studied without the influence of confounding effects of other fuel properties. Data previously published for a 1.6-liter naturally-aspirated engine are used as a case study to explore the relationship between fuel properties, engine efficiency, and R factor values. The results demonstrate that engine efficiency does vary as a result of differences in heating value among fuels, although other factors that are variant among fuels also impact efficiency. R factor values depend not only on the difference in heating value between two fuels, but also on the directionality of the change and on engine operating loads. The latter is integral because the reference engine efficiency point is itself a function of the engine operating condition. R factor values asymptotically approach unity as engine operating load increases. Increasing engine efficiency causes R values for a given test fuel to increase. A method is presented for which the test data from only one fuel is required to establish R factor values for individual vehicles and test cycles. An alternative method of establishing Indolene fuel economy equivalency for certification tests is also discussed.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2025

Joint Factorization of QCD and QED Radiation in Lepton-Hadron Scattering

The factorization theorem plays an important role in the analysis of high energy quantum chromodynamic (QCD) processes, separating the nonperturbative hadronic interaction into the universal parton distribution functions (PDFs) and fragmentation functions (FFs) and the process-dependent interactions into short distance perturbative calculations, with any interference power suppressed. With a virtual photon exchange, lepton-hadron deep inelastic scattering (DIS) provides an electromagnetic hard probe for the partonic structure of colliding hadrons and has played an important role in the development of QCD factorization. However, the collision induced QED radiation can change the momentum of the exchanged but unobserved virtual photon, making the photon-hadron frame, where the factorization formalism for DIS and semi-inclusive DIS (SIDIS) was derived, ill defined. A new analogous factorization approach has been introduced to separate the leading power process-independent QED radiative contributions to the single photon exchange by introducing lepton distribution functions (LDFs) and lepton fragmentation functions (LFFs), while process-dependent effects are perturbatively calculated with large logarithms removed [J. High Energ. Phys. 2021, 157 (2021)]. These LDFs and LFFs are considered global, as they appear in many different interactions, such as e+e-, DIS and SIDIS, so data from experiments can be used to fit and describe these functions across a wide range of lepton scattering. In this work, I will apply this new hybrid factorization approach to lepton-hadron DIS and SIDIS. For DIS, I derive the NLO short distance perturbative contribution to the cross section and demonstrate the effects the QED radiation has on the cross section using this approach using the CTEQ parameterization for the QCD functions. As part of the SIDIS analysis, I study the cross-section in two different kinematic regions: (1) the scattered lepton and observed hadron are not near back-to-back, and (2) they are close to back-to-back, where collinear QCD factorization works for (1) and TMD QCD factorization for (2) while collinear QED factorization works for both. As part of this work, I show the effects on the SIDIS cross section using fixed order calculations for the unpolarized structure function by first showing the effect of the radiative corrections on the main kinematic variables, especially how the internal transverse momentum is significantly correlated to the external angular dependence, and then the unpolarized structure function (or cross section) with matching between the descriptions for low and high transverse momentum. This work will impact the calculations for predictions for data from COMPASS and various Jefferson Lab experiments.

Cammarota, Justin [Univ. of Kentucky, Lexington, K↗

DOE OSTI2026

Westcott g factors extended to arbitrary neutron energy spectra

Westcott 𝑔 factors are used in Neutron Activation Analysis (NAA) and Prompt Gamma-ray Activation Analysis (PGAA) to evaluate the impact of non-1∕𝑣 behavior in the neutron-capture cross sections of certain nuclei on activation product yields. This non-1∕𝑣 behavior arises from the presence of neutron resonances in the neutron- capture cross sections that overlap with the source neutron spectrum at low (< 5 eV) energies. Historically, Westcott 𝑔 factors that have been cataloged for NAA and PGAA applications are the result of calculations that assume a Maxwellian neutron flux distribution with a given temperature. In this work, we use this approach with updated neutron-capture cross sections from the Evaluated Nuclear Data File, version VIII.1 (ENDF/B-VIII.1) to tabulate Westcott 𝑔 factor values for a broad range of Maxwellian distribution temperatures, comparing the results against currently-available 𝑔 factors from International Atomic Energy Agency tables and other sources. Here, it was discovered during this analysis that the use of guided thermal and cold-neutron beams at certain facilities necessitates an approach for evaluating Westcott 𝑔 factors based on arbitrary non-Maxwellian spectra. In this paper, we present an approach for calculating 𝑔 factors with user-specified neutron spectra, and we demonstrate these methods to obtain Westcott 𝑔-factors for guided- and cold-neutron beams at the Budapest Research Reactor and the Forschungsreaktor München II reactor. As part of this work, open-source software has been developed that can be used to perform these calculations for applications in PGAA and NAA experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2014

Source Apportionment of Stack Emissions from Research and Development Facilities Using Positive Matrix Factorization

Emissions from research and development (R&D) facilities are difficult to characterize due to the wide variety of processes used, changing nature of research, and large number of chemicals. Positive matrix factorization (PMF) was applied to volatile organic compounds (VOCs) concentrations measured in the main exhaust stacks of four different R&D buildings to identify the number and composition of major contributing sources. PMF identified from 9-11 source-related factors contributing to the stack emissions depending on the building. The factors that were similar between buildings were major contributors to trichloroethylene (TCE), acetone, and ethanol emissions. Several other factors had similar profiles for two or more buildings but not for all four. One factor for each building was a combination of p/m-xylene, o-xylene and ethylbenzene. At least one factor for each building was identified that contained a broad mix of many species and constraints were used in PMF to modify the factors to resemble more closely the off-shift concentration profiles. PMF accepted the constraints with little decrease in model fit. Although the PMF model predicted the profiles of the off-shift samples, the percent of total emissions was under-predicted by the model versus the measured data.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

Emission factors of industrial boilers burning biomass-derived fuels

Boilers are combustion devices that provide process heat and are integral to many industrial facilities. Historically, outside of the pulp and paper industry, most boilers burned fossil fuels, although interest in decarbonization has been leading to an increased use of renewable fuels in boilers. These boilers, including those in the biorefineries, are often large sources of air pollutant emissions, and the characterization of these emissions is critical to obtaining air permits and ensuring protection of the surrounding air quality. Several industrial boilers and new biorefineries allow utilization of biomass-derived fuels (e.g. wastewater sludge, lignin, etc.) produced during their operation as a fuel for the boiler to meet process energy needs. However, there is limited empirical data on emission factors for the burning of unconventional fuels, such as solid-gas mixtures containing biomass residues. To fill this gap, we carry out a comprehensive data survey, collecting information on emission factors for boilers burning either a single or a mixture of solid and gaseous biomass-derived fuels. We review multiple hard-to-obtain and unconventional data sources, such as air permit applications, stack test data, and industry-sponsored data collection efforts, to compile emission factors for biomass-derived fuels. We then compare this data with wood residue emission factors from the U.S. Environmental Protection Agency’s AP-42 emission factor database. Our results indicate that the emission factors for boilers burning unconventional fuels vary widely depending on the fuel composition, boiler type, and fuel characteristics. Overall, we find that median emission factors of selected biomass-derived fuels are typically lower than those of wood residue boilers in AP-42. The information collected herein could be useful to permitting agencies and industries utilizing boilers who may want to reduce the carbon impact of their facilities by combusting biomass-derived wastes for process energy needs, for more accurate emission estimation for permitting.

09 BIOMASS FUELS↗

DOE OSTI2014

Monte Carlo calculations of electron beam quality conversion factors for several ion chamber types

Purpose: To provide a comprehensive investigation of electron beam reference dosimetry using Monte Carlo simulations of the response of 10 plane-parallel and 18 cylindrical ion chamber types. Specific emphasis is placed on the determination of the optimal shift of the chambers’ effective point of measurement (EPOM) and beam quality conversion factors. Methods: The EGSnrc system is used for calculations of the absorbed dose to gas in ion chamber models and the absorbed dose to water as a function of depth in a water phantom on which cobalt-60 and several electron beam source models are incident. The optimal EPOM shifts of the ion chambers are determined by comparing calculations of R{sub 50} converted from I{sub 50} (calculated using ion chamber simulations in phantom) to R{sub 50} calculated using simulations of the absorbed dose to water vs depth in water. Beam quality conversion factors are determined as the calculated ratio of the absorbed dose to water to the absorbed dose to air in the ion chamber at the reference depth in a cobalt-60 beam to that in electron beams. Results: For most plane-parallel chambers, the optimal EPOM shift is inside of the active cavity but different from the shift determined with water-equivalent scaling of the front window of the chamber. These optimal shifts for plane-parallel chambers also reduce the scatter of beam quality conversion factors, k{sub Q}, as a function of R{sub 50}. The optimal shift of cylindrical chambers is found to be less than the 0.5 r{sub cav} recommended by current dosimetry protocols. In most cases, the values of the optimal shift are close to 0.3 r{sub cav}. Values of k{sub ecal} are calculated and compared to those from the TG-51 protocol and differences are explained using accurate individual correction factors for a subset of ion chambers investigated. High-precision fits to beam quality conversion factors normalized to unity in a beam with R{sub 50} = 7.5 cm (k{sub Q}{sup ′}) are provided. These factors avoid the use of gradient correction factors as used in the TG-51 protocol although a chamber dependent optimal shift in the EPOM is required when using plane-parallel chambers while no shift is needed with cylindrical chambers. The sensitivity of these results to parameters used to model the ion chambers is discussed and the uncertainty related to the practical use of these results is evaluated. Conclusions: These results will prove useful as electron beam reference dosimetry protocols are being updated. The analysis of this work indicates that cylindrical ion chambers may be appropriate for use in low-energy electron beams but measurements are required to characterize their use in these beams.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2015

Single-particle spectroscopic factors for spherical nuclei

Within the self-consistent theory of finite Fermi systems, the total single-particle spectroscopic factors for seven doubly magic nuclei of {sup 40}Ca, {sup 48}Ca, {sup 56}Ni, {sup 78}Ni, {sup 100}Sn, {sup 132}Sn, and {sup 208}Pb and for the {sup 188–212}Pb chain of semimagic even lead isotopes are calculated by the energy-density-functional method implemented with a functional in the form proposed by Fayans and his coauthors. The spectroscopic factor is expressed in terms of the Z factor, which is the residue of the single-particle Green’s function at the single-particle pole. The total Z factor calculated in the present study involves both effects of coupling to phonons and the volume Z factor, which is due to the fact that the mass operator features an energy dependence not associated with surface phonons. The volume Z factor is on the same order of magnitude as the phonon-coupling contribution. The volume effect depends only slightly on the nuclear species and on the single-particle state λ. On the contrary, the phonon contribution to the total spectroscopic factor changes upon going over from one state to another and from one nuclear species to another.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2018

Quality factor assessment of finite-size all-dielectric metasurfaces at the magnetic dipole resonance

Recently there has been a large interest in achieving metasurface resonances with large quality factors. In this article, we examine metasurfaces that comprised a finite number of magnetic dipoles oriented parallel or orthogonal to the plane of the metasurface and determine analytic formulas for their resonances’ quality factors. These conditions are experimentally achievable in finite-size metasurfaces made of dielectric cubic resonators at the magnetic dipole resonance. Our results show that finite metasurfaces made of parallel (to the plane) magnetic dipoles exhibit low quality factor resonances with a quality factor that is independent of the number of resonators. More importantly, finite metasurfaces made of orthogonal (to the plane) magnetic dipoles lead to resonances with large quality factors, which ultimately depend on the number of resonators comprising the metasurface. In particular, by properly modulating the array of dipole moments by having a distribution of resonator polarizabilities, one can potentially increase the quality factor of metasurface resonances even further. These results provide design guidelines to achieve a sought quality factor applicable to any resonator geometry for the development of new devices such as photodetectors, modulators, and sensors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗