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DOE OSTI2020

Multi-Scale Lithofacies and Chemostratigraphic Analysis of Two Middle Devonian Marcellus Shale Wells in Northern West Virginia, USA

The Marcellus Shale Energy and Environmental Laboratory (MSEEL) consists of two project areas within the dry gas producing region of the Marcellus shale play in Monongalia County, West Virginia. MSEEL is a collaborative field project led by West Virginia University, with Northeast Natural Energy LLC, several industrial partners, and sponsored by the US Department of Energy National Energy Technology Laboratory. The study areas are drilled approximately 8.5 miles apart to better understand the vertical and lateral changes in stratigraphy over a short distance. Two vertical pilot wells, MIP-3H and Boggess 17H were drilled in the fall of 2015 and spring of 2019, respectively. Core was recovered from the MIP-3H (API: 47-061-01707-00-00) 112 feet (34m) between depths of 7445 to 7557 feet, and from the Boggess 17H (API: 47-061-01812-00-00) 139 feet (42m) between depths of 7908 and 8012 ft. A full suite of triple combo (gamma ray, neutron, density logs), image logs, and advanced logging tools were run in both wells and calibrated to core analysis. Core analysis includes medical computed tomography (CT) scans, mineralogy and chemostratigraphy determined from handheld X-Ray fluorescence (hhXRF) and X-Ray powder diffraction (XRD) measurements, and determination of total organic content (TOC). Lithofacies were determined at core-scale using traditional core description techniques and medical CT-scan images. Log-scale facies are based on mineralogy and TOC data and developed using petrophysical logging data calibrated to core data (XRD and pyrolysis data). Chemostratigraphic analysis utilized hhXRF data to determine the major and trace element trends in the cores. In the two wells six shale lithofacies were recognized at the core and log scale. Both wells show organic-rich facies (TOC > 6.5%) primarily in the middle and lower Marcellus, with a slight decrease in thickness of this interval in the Boggess 17H. This interval is interpreted as an increase in paleo-productivity (increased Ni, Zn, and V), decreased sedimentation (decreased detrital proxies), and anoxic to euxinic conditions (increased Mo and chalcophile elements). Paleo-redox conditions in both wells are dynamic throughout deposition transitioning between euxinic/anoxic to dysoxic/oxic. This trend is seen through elemental proxies and calcite/pyrite concretion distributions.

03 NATURAL GAS↗

DOE OSTI2018

Search for Gamma-Ray Emission from Local Primordial Black Holes with the Fermi Large Area Telescope

Black holes with masses below approximately 10 15 g are expected to emit gamma-rays with energies above a few tens of MeV, which can be detected by the Fermi Large Area Telescope (LAT). Although black holes with these masses cannot be formed as a result of stellar evolution, they may have formed in the early universe and are therefore called primordial black holes (PBHs). Previous searches for PBHs have focused on either short-timescale bursts or the contribution of PBHs to the isotropic gamma-ray emission. We show that, in cases of individual PBHs, the Fermi-LAT is most sensitive to PBHs with temperatures above approximately 16 GeV and masses 6 × 10 11 g, which it can detect out to a distance of about 0.03 pc. These PBHs have a remaining lifetime of months to years at the start of the Fermi mission. They would appear as potentially moving point sources with gamma-ray emission that become spectrally harder and brighter with time until the PBH completely evaporates. In this paper, we develop a new algorithm to detect the proper motion of gamma-ray point sources, and apply it to 318 unassociated point sources at a high galactic latitude in the third Fermi-LAT source catalog. None of the unassociated point sources with spectra consistent with PBH evaporation show significant proper motion. Finally, using the nondetection of PBH candidates, we derive a 99% confidence limit on the PBH evaporation rate in the vicinity of Earth, ${\dot{\rho }}_{\mathrm{PBH}}\lt 7.2\times {10}^{3}\ {\mathrm{pc}}^{-3}\,{\mathrm{yr}}^{-1}$. This limit is similar to the limits obtained with ground-based gamma-ray observatories.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Turbulent shear-layer mixing: initial conditions, and direct-numerical and large-eddy simulations

Aspects of turbulent shear-layer mixing are investigated over a range of shear-layer Reynolds numbers, $Re_{\unicode[STIX]{x1D6FF}}=\unicode[STIX]{x0394}U\unicode[STIX]{x1D6FF}/\unicode[STIX]{x1D708}$ , based on the shear-layer free-stream velocity difference, $\unicode[STIX]{x0394}U$ , and mixing-zone thickness, $\unicode[STIX]{x1D6FF}$ , to probe the role of initial conditions in mixing stages and the evolution of the scalar-field probability density function (p.d.f.) and variance. Scalar transport is calculated for unity Schmidt numbers, approximating gas-phase diffusion. The study is based on direct-numerical simulation (DNS) and large-eddy simulation (LES), comparing different subgrid-scale (SGS) models for incompressible, uniform-density, temporally evolving forced shear-layer flows. Moderate-Reynolds-number DNS results help assess and validate LES SGS models in terms of scalar-spectrum and mixing estimates, as well as other metrics, to $Re_{\unicode[STIX]{x1D6FF}}\lesssim 3.3\times 10^{4}$ . High-Reynolds-number LES investigations to $Re_{\unicode[STIX]{x1D6FF}}\lesssim 5\times 10^{5}$ help identify flow parameters and conditions that influence the evolution of scalar variance and p.d.f., e.g. marching versus non-marching. Initial conditions that generate shear flows with different mixing behaviour elucidate flow characteristics in each flow regime and identify elements that induce p.d.f. transition and scalar-variance behaviour. P.d.f. transition is found to be largely insensitive to local flow parameters, such as $Re_{\unicode[STIX]{x1D6FF}}$ , or a previously proposed vortex-pairing parameter based on downstream distance, or other equivalent criteria. The present study also allows a quantitative comparison of LES SGS models in moderate- and high- $Re_{\unicode[STIX]{x1D6FF}}$ forced shear-layer flows.

Mechanics↗

DOE OSTI2023

Self-Sustainable IoT-Based Remote Sensing Powered by Energy Harvesting Using Stacked Piezoelectric Transducer and Thermoelectric Generator

We propose a self-powered remote multi-sensing system for traffic sensing which is powered by the collective energy harvested from the mechanical vibration of the road caused by the passing vehicles and from the temperature gradient between the asphalt of the road and the soil underneath. A stacked piezoelectric transducer converts mechanical vibrations into electrical energy and a thermoelectric generator harvests the thermal energy from the thermal gradient. Electrical energy signals from the stacked piezoelectric transducer and the thermoelectric generators are converted into usable DC power to recharge the battery using AC-DC and DC-DC converters working simultaneously. The multi-sensing system comprises an embedded system with a microcontroller that acquires data from the sensors and sends the sensory data to an IoT transceiver which transmits the data as RF packets to an ethernet gateway. The gateway converts the RF packets into Internet Protocol (IP) packets and sends them to a remote server. Laboratory and road-testing results showed over 98% sensory data accuracy with the system functioning solely powered by the energy harvested from the alternative energy sources. The successful maximum transmission distance obtained between the IoT, and the gateway was approximately 1 mile, which is a considerable transmission distance achieved in an urban environment. Successful operation of the self-powered multi-sensing system under both laboratory and road conditions contributes considerably to the fields of energy harvesting and self-powered remote sensing systems. The energy flow chart and efficiency for the steps in the system were found to be mechanical power from vehicles to the energy harvester of 0.25%, stacked PZT transducer efficiency was found to be 37%, and for the TEGs the efficiency is 11%. AC-to-DC and DC-to-DC converters’ efficiencies were found to be 90% and 11%. The wireless communication RF transceiver efficiency was found to be 62.5%.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Sub-particle reaction and photocurrent mapping to optimize catalyst-modified photoanodes

The splitting of water photoelectrochemically into hydrogen and oxygen represents a promising technology for converting solar energy to fuel. The main challenge is to ensure that photogenerated holes efficiently oxidize water, which generally requires modification of the photoanode with an oxygen evolution catalyst (OEC) to increase the photocurrent and reduce the onset potential. However, because excess OEC material can hinder light absorption and decrease photoanode performance, its deposition needs to be carefully controlled—yet it is unclear which semiconductor surface sites give optimal improvement if targeted for OEC deposition, and whether sites catalysing water oxidation also contribute to competing charge-carrier recombination with photogenerated electrons. Surface heterogeneity exacerbates these uncertainties, especially for nanostructured photoanodes benefiting from small charge-carrier transport distances. In this study, we use super-resolution imaging, operated in a chargecarrier- selective manner and with a spatiotemporal resolution of approximately 30 nanometres and 15 milliseconds, to map both the electron- and hole-driven photoelectrocatalytic activities on single titanium oxide nanorods. We then map, with sub-particle resolution (about 390 nanometres), the photocurrent associated with water oxidation, and find that the most active sites for water oxidation are also the most important sites for charge-carrier recombination. Site-selective deposition of an OEC, guided by the activity maps, improves the overall performance of a given nanorod—even though more improvement in photocurrent efficiency correlates with less reduction in onset potential (and vice versa) at the subparticle level. Moreover, the optimal catalyst deposition sites for photocurrent enhancement are the lower-activity sites, and for onset potential reduction the optimal sites are the sites with more positive onset potential, contrary to what is obtainable under typical deposition conditions. These findings allow us to suggest an activity-based strategy for rationally engineering catalyst-improved photoelectrodes, which should be widely applicable because our measurements can be performed for many different semiconductor and catalyst materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Computing quality scores and uncertainty for approximate pattern matching in geospatial semantic graphs

Geospatial semantic graphs provide a robust foundation for representing and analyzing remote sensor data. In particular, they support a variety of pattern search operations that capture the spatial and temporal relationships among the objects and events in the data. However, in the presence of large data corpora, even a carefully constructed search query may return a large number of unintended matches. This work considers the problem of calculating a quality score for each match to the query, given that the underlying data are uncertain. As a result, we present a preliminary evaluation of three methods for determining both match quality scores and associated uncertainty bounds, illustrated in the context of an example based on overhead imagery data.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Size- and temperature-dependent magnetization of iron nanoclusters

In this paper, the magnetic behavior of bcc iron nanoclusters, with diameters between 2 and 8 nm, is investigated by means of spin dynamics simulations coupled to molecular dynamics, using a distance-dependent exchange interaction. Finite-size effects in the total magnetization as well as the influence of the free surface and the surface/core proportion of the nanoclusters are analyzed in detail for a wide temperature range, going beyond the cluster and bulk Curie temperatures. Comparison is made with experimental data and with theoretical models based on the mean-field Ising model adapted to small clusters, and taking into account the influence of low coordinated spins at free surfaces. Our results for the temperature dependence of the average magnetization per atom M (T), including the thermalization of the transnational lattice degrees of freedom, are in very good agreement with available experimental measurements on small Fe nanoclusters. In contrast, significant discrepancies with experiment are observed if the translational degrees of freedom are artificially frozen. The finite-size effects on M (T) are found to be particularly important near the cluster Curie temperature. Simulated magnetization above the Curie temperature scales with cluster size as predicted by models assuming short-range magnetic ordering. Analytical approximations to the magnetization as a function of temperature and size are proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

SU-F-T-506: Development and Commissioning of the Effective and Efficient Grid Therapy Using High Dose Rate Flattening Filter Free Beam and Multileaf Collimator

Purpose: Treating bulky tumors with grid therapy (GT) has demonstrated high response rates. Long delivery time (∼15min), with consequent increased risk of intrafraction motion, is a major disadvantage of conventional MLC-based GT (MLC-GT). The goal of this study was to develop and commission a MLC-GT technique with similar dosimetric characteristics, but more efficient delivery. Methods: Grid plan was designed with 10X-FFF (2400MU/min) beam and MLC in a commercial treatment planning system (TPS). Grid size was 1cm by 1cm and grid-to-grid distance was 2cm. Field-in-field technique was used to flatten the dose profile at depth of 10cm. Prescription was 15Gy at 1.5cm depth. Doses were verified at depths of 1.5cm, 5cm and 10cm. Point dose was measured with a plastic scintillator detector (PSD) while the planar dose was measured with calibrated Gafchromic EBT3 films in a 20cm think, 30cmx30cm solid water phantom. The measured doses were compared to the doses calculated in the treatment planning system. Percent depth dose (PDD) within the grid was also measured using EBT3 film. Five clinical cases were planned to compare beam-on time. Results: The valley-to-peak dose ratio at the 3 depths was approximately 10–15%, which is very similar to published result. The average point dose difference between the PSD measurements and TPS calculation is 2.1±0.6%. Film dosimetry revealed good agreement between the delivered and calculated dose. The average gamma passing rates at the 3 depths were 95% (3%, 1mm). The average percent difference between the measured PDD and calculated PDD was 2.1% within the depth of 20cm. The phantom plan delivery time was 3.6 min. Average beam-on time was reduced by 66.1±5.6% for the 5 clinical cases. Conclusion: An effective and efficient GT technique was developed and commissioned for the treatment of bulky tumors using FFF beam combined with MLC and automation. The Department of Radiation Oncology at Henry Ford Health System receives research support from Varian Medical Systems and Philips Health Care.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2018

A new method approximating offset curve by Bézier curve using parallel derivative curves

In this paper, we present a new method for the offset approximation of an n-th degree Bézier curve by an n+1-th degree Bézier curve using parallel derivative curves. Our method is based on the Gauss map approximation of the n-th degree Bézier curve by the n+1-th degree Bézier curve whose derivative curve is parallel to that of the n-th degree Bézier curve. Thus, the convolution of the Gauss map approximation curve and n-th Bézier curve is a polynomial of degree n+1, which is our offset approximation of the n-th degree Bézier curve. Our approximation method has two advantages. One is that the offset approximation method yields a non-rational (polynomial) curve which is obtained by the simple sum of two Bézier curves. The other is that the offset approximation curve satisfying the endpoint interpolation of the given offset curve automatically has the same tangent lines as the offset curve at both endpoints. We illustrate our offset approximation method with some numerical examples.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Effective interactions between nanoparticles: Creating temperature-independent solvation environments for self-assembly

The extent to which solvent-mediated effective interactions between nanoparticles can be predicted based on structure and associated thermodynamic estimators for bulk solvents and for solvation of single and pairs of nanoparticles is studied here. As a test of the approach, we analyse the strategy for creating temperature-independent solvent environments using a series of homologous chain fluids as solvents, as suggested by an experimental paper [M. I. Bodnarchuk et al., J. Am. Chem. Soc. 132, 11967 (2010)]. Our conclusions are based on molecular dynamics simulations of Au{sub 140}(SC{sub 10}H{sub 21}){sub 62} nanoparticles in n-alkane solvents, specifically hexane, octane, decane and dodecane, using the TraPPE-UA potential to model the alkanes and alkylthiols. The 140-atom gold core of the nanocrystal is held rigid in a truncated octahedral geometry and the gold-thiolate interaction is modeled using a Morse potential. The experimental observation was that the structural and rheological properties of n-alkane solvents are constant over a temperature range determined by equivalent solvent vapour pressures. We show that this is a consequence of the fact that long chain alkane liquids behave to a good approximation as simple liquids formed by packing of monomeric methyl/methylene units. Over the corresponding temperature range (233–361 K), the solvation environment is approximately constant at the single and pair nanoparticle levels under good solvent conditions. However, quantitative variations of the order of 10%–20% do exist in various quantities, such as molar volume of solute at infinite dilution, entropy of solvation, and onset distance for soft repulsions. In the opposite limit of a poor solvent, represented by vacuum in this study, the effective interactions between nanoparticles are no longer temperature-independent with attractive interactions increasing by up to 50% on decreasing the temperature from 361 K to 290 K, accompanied by an increase in emergent anisotropy due to correlation of mass dipoles on the two nanoparticles. One expects therefore that during self-assembly using solvent evaporation, temperature can be used as a structure-directing factor as long as good solvent conditions are maintained. It also suggests that disordered configurations may emerge as solvent quality decreases due to increasing role of short-range attractions and ligand fluctuation-driven anisotropy. The possibilities of using structural estimators of various thermodynamic quantities to analyse the interplay of ligand fluctuations and solvent quality in self-assembly as well as to design solvation environments are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Shear-Wave Radiation Patterns from Explosive and Earthquake Sources in Scattering, Heterogeneous Media

Distinguishing whether a seismic event is an earthquake or an explosion is a core problem in explosion monitoring. For simplistic models, earthquakes produce a predictable S-wavefield based on their radiation pattern, while an explosion produces no S-wavefield. However, observations from nuclear tests show that explosions can produce significant S-wave energy on both horizontal components. We perform numerical experiments using SPECFEM to constrain when an S-wavefield generated from an explosion might differ from one produced by an earthquake. We generate the S-wavefield for our explosions by placing the source location within a small region consisting of large velocity heterogeneities. For the 2D cases investigated here, a crucial condition is that the size of the region of heterogeneities must be much smaller (approximately 1/12th) than the minimum wavelength of the wavefield for our simulation setups. We investigate both isotropic heterogeneities and anisotropic heterogeneities. Initial results demonstrate that the heterogeneous region lowers the P/S amplitude ratios of an explosion. The presence of strong anisotropic heterogeneities near the source can also produce an S-wavefield with similar amplitudes to the P-wavefield. Lastly, we show that S-wave polarization angles vary as a function of azimuth and distance for explosive sources in the presence of small-scale heterogeneities.

58 GEOSCIENCES↗

DOE OSTI2016

Stability of a modified Peaceman–Rachford method for the paraxial Helmholtz equation on adaptive grids

This study concerns the asymptotic stability of an eikonal, or ray, transformation based Peaceman–Rachford splitting method for solving the paraxial Helmholtz equation with high wave numbers. Arbitrary nonuniform grids are considered in transverse and beam propagation directions. The differential equation targeted has been used for modeling propagations of high intensity laser pulses over a long distance without diffractions. Self-focusing of high intensity beams may be balanced with the de-focusing effect of created ionized plasma channel in the situation, and applications of grid adaptations are frequently essential. It is shown rigorously that the fully discretized oscillation-free decomposition method on arbitrary adaptive grids is asymptotically stable with a stability index one. Simulation experiments are carried out to illustrate our concern and conclusions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Unveiling the Finite Temperature Physics of Hydrogen Chains via Auxiliary Field Quantum Monte Carlo

The ability to accurately predict the finite temperature properties and phase diagrams of realistic quantum solids is central to uncovering new phases and engineering materials with novel properties ripe for device applications. Nonetheless, there remain comparatively few many-body techniques capable of elucidating the finite temperature physics of solids from first principles. Here, we take a significant step toward developing such a technique by generalizing our previous, exact fully ab initio finite temperature Auxiliary Field Quantum Monte Carlo (FT-AFQMC) method to model periodic solids and employing it to uncover the finite temperature physics of periodic hydrogen chains. Our chains’ unit cells consist of 10 hydrogen atoms modeled in a minimal basis, and we sample 5 k-points from the first Brillouin zone to arrive at a supercell consisting of 50 orbitals and 50 electrons. Based upon our calculations of these chains’ many-body energies, free energies, entropies, heat capacities, double and natural occupancies, and charge and spin correlation functions, we outline their metal–insulator and magnetic ordering as a function of both H–H bond distance and temperature. At low temperatures approaching the ground state, we observe both metal–insulator and ferromagnetic–antiferromagnetic crossovers at bond lengths between 0.5 and 0.75 Å. We then demonstrate how this low-temperature ordering evolves into a metallic phase with decreasing magnetic order at higher temperatures. In order to contextualize our results, we compare the features we observe to those previously seen in one-dimensional, half-filled Hubbard models at finite temperature and in ground state hydrogen chains. Interestingly, we identify signatures of the Pomeranchuk effect in hydrogen chains for the first time and show that spin and charge excitations that typically arise at distinct temperatures in the Hubbard model are indistinguishably coupled in these systems. Beyond qualitatively revealing the many-body phase behavior of hydrogen chains in a numerically exact manner without invoking the phaseless approximation, our efforts shed light on the further theoretical developments that will be required to construct the phase diagrams of the more complex transition metal, lanthanide, and actinide solids of longstanding interest to physicists.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Patient-based estimation of organ dose for a population of 58 adult patients across 13 protocol categories

Purpose: This study aimed to provide a comprehensive patient-specific organ dose estimation across a multiplicity of computed tomography (CT) examination protocols. Methods: A validated Monte Carlo program was employed to model a common CT system (LightSpeed VCT, GE Healthcare). The organ and effective doses were estimated from 13 commonly used body and neurological CT examination. The dose estimation was performed on 58 adult computational extended cardiac-torso phantoms (35 male, 23 female, mean age 51.5 years, mean weight 80.2 kg). The organ dose normalized by CTDI{sub vol} (h factor) and effective dose normalized by the dose length product (DLP) (k factor) were calculated from the results. A mathematical model was derived for the correlation between the h and k factors with the patient size across the protocols. Based on this mathematical model, a dose estimation iPhone operating system application was designed and developed to be used as a tool to estimate dose to the patients for a variety of routinely used CT examinations. Results: The organ dose results across all the protocols showed an exponential decrease with patient body size. The correlation was generally strong for the organs which were fully or partially located inside the scan coverage (Pearson sample correlation coefficient (r) of 0.49). The correlation was weaker for organs outside the scan coverage for which distance between the organ and the irradiation area was a stronger predictor of dose to the organ. For body protocols, the effective dose before and after normalization by DLP decreased exponentially with increasing patient's body diameter (r > 0.85). The exponential relationship between effective dose and patient's body diameter was significantly weaker for neurological protocols (r < 0.41), where the trunk length was a slightly stronger predictor of effective dose (0.15 < r < 0.46). Conclusions: While the most accurate estimation of a patient dose requires specific modeling of the patient anatomy, a first order approximation of organ and effective doses from routine CT scan protocols can be reasonably estimated using size specific factors. Estimation accuracy is generally poor for organ outside the scan range and for neurological protocols. The dose calculator designed in this study can be used to conveniently estimate and report the dose values for a patient across a multiplicity of CT scan protocols.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

SU-E-J-12: An Image-Guided Soft Robotic Patient Positioning System for Maskless Head-And-Neck Cancer Radiotherapy: A Proof-Of-Concept Study

Purpose: We propose a surface-image-guided soft robotic patient positioning system for maskless head-and-neck radiotherapy. The ultimate goal of this project is to utilize a soft robot to realize non-rigid patient positioning and real-time motion compensation. In this proof-of-concept study, we design a position-based visual servoing control system for an air-bladder-based soft robot and investigate its performance in controlling the flexion/extension cranial motion on a mannequin head phantom. Methods: The current system consists of Microsoft Kinect depth camera, an inflatable air bladder (IAB), pressured air source, pneumatic valve actuators, custom-built current regulators, and a National Instruments myRIO microcontroller. The performance of the designed system was evaluated on a mannequin head, with a ball joint fixed below its neck to simulate torso-induced head motion along flexion/extension direction. The IAB is placed beneath the mannequin head. The Kinect camera captures images of the mannequin head, extracts the face, and measures the position of the head relative to the camera. This distance is sent to the myRIO, which runs control algorithms and sends actuation commands to the valves, inflating and deflating the IAB to induce head motion. Results: For a step input, i.e. regulation of the head to a constant displacement, the maximum error was a 6% overshoot, which the system then reduces to 0% steady-state error. In this initial investigation, the settling time to reach the regulated position was approximately 8 seconds, with 2 seconds of delay between the command start of motion due to capacitance of the pneumatics, for a total of 10 seconds to regulate the error. Conclusion: The surface image-guided soft robotic patient positioning system can achieve accurate mannequin head flexion/extension motion. Given this promising initial Result, the extension of the current one-dimensional soft robot control to multiple IABs for non-rigid positioning control will be pursued.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

SU-E-T-679: Retrospective Analysis of the Sensitivity of Planar Dose Measurements To Gamma Analysis Criteria

Purpose: IMRT QA using planar dose measurements is still a widely used method for checking the accuracy of treatment plans. A pass/fail judgment is made using gamma analysis based on a single endpoint. Using more stringent criteria is a way to increase the sensitivity to planning and delivery errors. Before such implementation, it is necessary to understand how the sensitivity to different gamma criteria settings affects gamma passing rates (GPR). Methods: 752 IMRT QA measurements were re-analyzed with varying distance to agreement (DTA) and dose difference (DD) percentages using a Matlab program. Other quantifying information such as the mean dose difference in the treatment target (defined as points that are greater than 80% of maximal dose) were stored in a relational database for retrospective analysis. Results: The average and standard deviation of GPR (%) fell from 99.84 ± (0.43) to 89.61 ± (6.08) when restricting DD from 5 − 1% respectively, as compared to a drop from 99.15 ± (1.19) to 95.00 ± (4.43), when restricting the DTA from 5 − 1 mm respectively. The mean dose difference (%) in the treatment target between measured and calculated dose was −1.96 ± (0. 83), −0.09 ± (0.98), and 1.44 ± (0. 86) for each of our institution’s three matched linear accelerators (LINAC 1, 2, and 3 respectively). For plans that are approximately 2.7 sigma below the mean GPR, an average of 78.4% of those plans were measured on LINAC 1 or 3, while only 48% of the total plans were run on those machines. Conclusion: The data demonstrates that when restricting gamma criterion, such as the DD, the greatest indicator of reduced GPR in our institution is which matched LINAC the plan was measured on. While small, these differences manifest themselves to levels comparable to other treatment related differences and possibly confound the gamma analysis.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2024

Coil optimization for quasi-helically symmetric stellarator configurations

Filament-based coil optimizations are performed for several quasi-helical stellarator configurations, beginning with the one from Landreman & Paul ( Phys. Rev. Lett. , vol. 128, 2022, 035001), demonstrating that precise quasi-helical symmetry can be achieved with realistic coils. Several constraints are placed on the shape and spacing of the coils, such as low curvature and sufficient plasma–coil distance for neutron shielding. The coils resulting from this optimization have a maximum curvature 0.8 times that of the coils of the Helically Symmetric eXperiment (HSX) and a mean squared curvature 0.4 times that of the HSX coils when scaled to the same plasma minor radius. When scaled up to reactor size and magnetic field strength, no fast particle losses were found in the free-boundary configuration when simulating 5000 alpha particles launched at $3.5\,\mathrm {MeV}$ on the flux surface with a normalized toroidal flux of $s=0.5$ . An analysis of the tolerance of the coils to manufacturing errors is performed using a Gaussian process model, and the coils are found to maintain low particle losses for smooth, large-scale errors up to amplitudes of approximately $0.15\,\mathrm {m}$ . Another coil optimization is performed for the Landreman–Paul configuration with the additional constraint that the coils are purely planar. Visual inspection of the Poincaré plot of the resulting magnetic field-lines reveal that the planar modular coils alone do a poor job of reproducing the target equilibrium. Additional non-planar coil optimizations are performed for the quasi-helical configuration with $5\,\%$ volume-averaged plasma beta from Landreman et al. ( Phys. Plasma , vol. 29, issue 8, 2022, 082501), and a similar configuration also optimized to satisfy the Mercier criterion. The finite beta configurations had larger fast-particle losses, with the free-boundary Mercier-optimized configuration performing the worst, losing approximately $5.5\,\%$ of alpha particles launched at $s=0.5$ .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2017

Optimal Power Flow of Radial Networks and Its Variations: A Sequential Convex Optimization Approach

This paper proposes a sequential convex optimization method to solve broader classes of optimal power flow (OPF) problems over radial networks. The non-convex branch power flow equation is decomposed as a second-order cone inequality and a non-convex constraint involving the difference of two convex functions. Provided with an initial solution offered by an inexact second-order cone programming relaxation model, this approach solves a sequence of convexified penalization problems, where concave terms are approximated by linear functions and updated in each iteration. It could recover a feasible power flow solution, which usually appears to be very close, if not equal, to the global optimal one. Two variations of the OPF problem, in which non-cost related objectives are optimized subject to power flow constraints and the convex relaxation is generally inexact, are elaborated in detail. One is the maximum loadability problem, which is formulated as a special OPF problem that seeks the maximal distance to the boundary of power flow insolvability. The proposed method is shown to outperform commercial nonlinear solvers in terms of robustness and efficiency. The other is the bi-objective OPF problem. A non-parametric scalarization model is suggested, and is further reformulated as an extended OPF problem by convexifying the objective function. It provides a single trade-off solution without any subjective preference. The proposed computation framework also helps retrieve the Pareto front of the bi-objective OPF via the e-constraint method or the normal boundary intersection method. This paper also discusses extensions for OPF problems over meshed networks based on the semidefinite programming relaxation method.

bi-objective optimization↗