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Parameter-free driven Liouville-von Neumann approach for time-dependent electronic transport simulations in open quantum systems

A parameter-free version of the recently developed driven Liouville-von Neumann equation [T. Zelovich et al., J. Chem. Theory Comput. 10(8), 2927-2941 (2014)] for electronic transport calculations in molecular junctions is presented. The single driving rate, appearing as a fitting parameter in the original methodology, is replaced by a set of state-dependent broadening factors applied to the different single-particle lead levels. These broadening factors are extracted explicitly from the self-energy of the corresponding electronic reservoir and are fully transferable to any junction incorporating the same lead model. Furthermore, the performance of the method is demonstrated via tight-binding and extended Hückel calculations of simple junction models. Our analytic considerations and numerical results indicate that the developed methodology constitutes a rigorous framework for the design of "black-box" algorithms to simulate electron dynamics in open quantum systems out of equilibrium.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Mass measurement of 27 P to constrain type-I x-ray burst models and validate the isobaric multiplet mass equation for the $A = 27, T = \frac{3}{2}$ isospin quartet

Background: Light curves are the primary observable of type-I x-ray bursts. Computational x-ray burst models must match simulations to observed light curves. Most of the error in simulated curves comes from uncertainties in rp process reaction rates, which can be reduced via precision mass measurements of neutron-deficient isotopes in the rp process path. Purpose: Perform a precise atomic mass measurement of 27 P. Use this new measurement to calculate rp process reaction rates and input these rates into an x-ray burst model to reduce simulated light curve uncertainty. Use the mass measurement of 27 P to validate the isobaric multiplet mass equation (IMME) for the A = 27 T = 3/2 isospin quartet which 27 P belongs to. Method: High-precision Penning trap mass spectrometry utilizing the time-of-flight ion cyclotron resonance technique was used to determine the atomic mass of 27 P. The MESA code (Modules for Experiments in Stellar Astrophysics) was then used to simulate x-ray bursts using a one-dimensional multizone model to produce updated light curves. Results: The mass excess of 27 P was measured to be –670.7(6) keV, a 14-fold precision increase over the mass reported in the 2020 Atomic Mass Evaluation (AME2020). The 26 Si(p, $γ$) 27 P– 27 P($γ$, p) 26 Si rate equilibrium has been determined to a higher precision based on the precision mass measurement of 27 P. x-ray burst light curves were produced with the MESA code using the new reaction rates. Changes in the mass of 27 P seem to have minimal effect on light curves, even in burster systems tailored to maximize impact. Conclusion: The mass of 27 P does not play a significant role in x-ray burst light curves. It is important to understand that more advanced models do not just provide more precise results, but often qualitatively different ones. This result brings us a step closer to being able to extract stellar parameters from individual x-ray burst observations. In addition, the IMME has been validated for the A = 27, T = 3/2 quartet. The normal quadratic form of the IMME using the latest data yields a reduced $χ$ 2 of 2.9. Finally, the cubic term required to generate an exact fit to the latest data matches theoretical attempts to predict this term.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

MO-G-BRE-09: Validating FMEA Against Incident Learning Data: A Study in Stereotactic Body Radiation Therapy

Purpose: Though FMEA (Failure Mode and Effects Analysis) is becoming more widely adopted for risk assessment in radiation therapy, to our knowledge it has never been validated against actual incident learning data. The objective of this study was to perform an FMEA analysis of an SBRT (Stereotactic Body Radiation Therapy) treatment planning process and validate this against data recorded within an incident learning system. Methods: FMEA on the SBRT treatment planning process was carried out by a multidisciplinary group including radiation oncologists, medical physicists, and dosimetrists. Potential failure modes were identified through a systematic review of the workflow process. Failure modes were rated for severity, occurrence, and detectability on a scale of 1 to 10 and RPN (Risk Priority Number) was computed. Failure modes were then compared with historical reports identified as relevant to SBRT planning within a departmental incident learning system that had been active for two years. Differences were identified. Results: FMEA identified 63 failure modes. RPN values for the top 25% of failure modes ranged from 60 to 336. Analysis of the incident learning database identified 33 reported near-miss events related to SBRT planning. FMEA failed to anticipate 13 of these events, among which 3 were registered with severity ratings of severe or critical in the incident learning system. Combining both methods yielded a total of 76 failure modes, and when scored for RPN the 13 events missed by FMEA ranked within the middle half of all failure modes. Conclusion: FMEA, though valuable, is subject to certain limitations, among them the limited ability to anticipate all potential errors for a given process. This FMEA exercise failed to identify a significant number of possible errors (17%). Integration of FMEA with retrospective incident data may be able to render an improved overview of risks within a process.

60 APPLIED LIFE SCIENCES↗

SU-F-I-55: Performance Evaluation of Digital PET/CT: Medical Physics Basis for the Clinical Applications

Purpose: Replacement of conventional PMT-based detector with next generation digital photon counting (DPC) detector is a technology leap for PET imaging. This study evaluated the performance and characteristics of the DPC system and its stability within a 1 year time window following its installation focusing on the medical physics basis for clinical applications. Methods: A digital PET/CT scanner using 1:1 coupling of 23,040 crystal: detector elements was introduced and became operational at OSU. We tested and evaluated system performance and characteristics using NEMA NU2-2012. System stabilities in timing resolution, energy resolution, detector temperature and humidity (T&H) were monitored over 1-yr. Timing, energy and spatial resolution were characterized across clinically relevant count rate range. CQIE uniformity PET and NEMA IEC-Body PET with hot spheres varying with sizes and contrasts were performed. PET reconstructed in standard(4mm), High(2mm) and Ultra-High(1mm) definitions were evaluated. Results: NEMA results showed PET spatial resolution (mm-FWHM) from 4.01&4.14 at 1cm to 5.82&6.17 at 20cm in transverse & axial. 322±3ps timing and 11.0% energy resolution were measured. 5.7kcps/MBq system sensitivity with 24kcps/MBq effective sensitivity was obtained. The peak-NECR was ∼171kcps with the effective peak-NECR >650kcps@50kBq/mL. Scatter fraction was ∼30%, and the maximum trues was >900kcps. NEMA IQ demonstrated hot sphere contrast ranging from ∼62%±2%(10mm) to ∼88%±2%(22mm), cold sphere contrast of ∼86%±2%(28mm) and ∼89%±3%(37mm) and excellent uniformity. Monitoring 1-yr stability, it revealed ∼1% change in timing, ±0.4% change in energy resolution, and <10% variations in T&H. CQIE PET gave <3% SUV variances in axial. 60%–100% recovery coefficients across sphere sizes and contrast levels were achieved. Conclusion: Characteristics and stability of the next generation DPC PET detector system over an 1-yr time window was excellent and better than prior experiences. It demonstrated improved and robust system characteristics and performance in spatial resolution, sensitivity, timing and energy resolution, count rate and image quality. Michael Miller is an employee of Philips Healthcare.

60 APPLIED LIFE SCIENCES↗

Efficient Operator-Coarsening Multigrid Schemes for Local Discontinuous Galerkin Methods

An efficient hp-multigrid scheme is presented for local discontinuous Galerkin (LDG) discretizations of elliptic problems, formulated around the idea of separately coarsening the underlying discrete gradient and divergence operators. We show that traditional multigrid coarsening of the primal formulation leads to poor and suboptimal multigrid performance, whereas coarsening of the flux formulation leads to essentially optimal convergence and is equivalent to a purely geometric multigrid method. The resulting operator-coarsening schemes do not require the entire mesh hierarchy to be explicitly built, thereby obviating the need to compute quadrature rules, lifting operators, and other mesh-related quantities on coarse meshes. We show that good multigrid convergence rates are achieved in a variety of numerical tests on two-dimensional and three-dimensional uniform and adaptive Cartesian grids, as well as for curved domains using implicitly defined meshes and for multiphase elliptic interface problems with complex geometry. Extensions, e.g., to non-LDG discretizations and fully unstructured meshes, are briefly discussed.

97 MATHEMATICS AND COMPUTING↗

L-325 Sagebrush Habitat Mitigation Project: Final Compensation Area Monitoring Report

This document provides a review and status of activities conducted in support of the Fluor Daniel Hanford Company (Fluor), now Mission Support Alliance (MSA), Mitigation Action Plan (MAP) for Project L-325, Electrical Utility Upgrades (2007). Three plantings have been installed on a 4.5-hectare mitigation area to date. This review provides a description and chronology of events, monitoring results, and mitigative actions through fiscal year (FY) 2012. Also provided is a review of the monitoring methods, transect layout, and FY 2012 monitoring activities and results for all planting years. Planting densities and performance criteria stipulated in the MAP were aimed at a desired future condition (DFC) of 10 percent mature sagebrush (Artemisia tridentata ssp wyomingensis) cover. Current recommendations for yielding this DFC are based upon a conceptual model planting of 1000 plants/ha (400/ac) exhibiting a 60-percent survival rate after 5 monitoring years (DOE 2003). Accordingly, a DFC after 5 monitoring years would not be less than 600 plants/ha (240/ac). To date, about 8700 sagebrush plants have been grown and transplanted onto the mitigation site. Harsh site conditions and low seedling survival have resulted in an estimated 489 transplants/ha on the mitigation site, which is 111 plants/ha short of the target DFC. Despite this apparent shortcoming, 71, 91, and 24 percent of the surviving seedlings planted in FY 2007 and FY 2008 and FY 2010, respectively, showed signs of blooming in FY 2012. Blooming status may be a positive indication of future sagebrush recruitment, and is therefore a potential source for reaching the target DFC of 600 plants/ha on this mitigation site over time. Because of the difficulty establishing small transplants on this site, we propose that no additional plantings be considered for this mitigation area and to rely upon the potential recruitment by established seedlings to achieve the mitigation commitment set forth in the MAP of 600 plants/ha.

Habitat↗

Detector Response Function and Directional Gamma-Ray Source Calculations for Polaris

A Directional Unfolded Source Term (DUST) method was developed to compute directionally resolved gamma-ray source terms based on back-projection spectra synthesized by Compton Cameras. Spectral features in the unprocessed spectra are indistinct primarily because the rotational angles for the conical projections cannot be determined, so probability distributions are constructed from overlapping cones. The DUST method uses an angular response function to compute a covariance matrix, which is used to process count rates in back-projection spectra by linear regression to partition the gamma-rays among several spatial regions. This method was applied to analyze data collected by the Polaris detector during an evaluation that was conducted at Oak Ridge National Laboratory (ORNL). The evaluation includes measurements of calibration sources with angular separations ranging from 1° to more than 50°. Measurements were also performed for cylindrical depleted uranium castings and a 137 Cs source inside a large polyethylene sphere. The DUST algorithm was able to differentiate gamma-rays emitted by 137 Cs and 60 Co when the sources were separated by less than 2°, but separation greater than 10° was required to isolate the 133 Ba emission from gamma-rays emitted by the other sources. The computed source terms were consistent with emission profiles from the calibration sources and from models of the spatially-extended sources. Methods for viewing radiation profiles were also evaluated because user input is required to select spatial regions of interest.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Critical processes and parameters in the development of accident tolerant fuels drop-in capsule irradiation tests

The goal of the Accident Tolerant Fuel (ATF) program is to develop the next generation of Light Water Reactor (LWR) fuels with improved performance, reliability, and safety characteristics during normal operations and accident conditions and with reduced waste generation. An irradiation test series has been defined to assess the performance of proposed ATF concepts under normal LWR operating conditions. The Phase I ATF irradiation test series is planned to be performed as a series of drop-in capsule tests to be irradiated in the Advanced Test Reactor (ATR) operated by the Idaho National Laboratory (INL). Design, analysis, and fabrication processes for ATR drop-in capsule experiment preparation are presented in this paper to demonstrate the importance of special design considerations, parameter sensitivity analysis, and precise fabrication and inspection techniques for figure innovative materials used in ATF experiment assemblies. A Taylor Series Method sensitivity analysis approach was used to identify the most critical variables in cladding and rodlet stress, temperature, and pressure calculations for design analyses. The results showed that internal rodlet pressure calculations are most sensitive to the fission gas release rate uncertainty while temperature calculations are most sensitive to cladding I.D. and O.D. dimensional uncertainty. The analysis showed that stress calculations are most sensitive to rodlet internal pressure uncertainties, however the results also indicated that the inside radius, outside radius, and internal pressure were all magnified as they propagate through the stress equation. This study demonstrates the importance for ATF concept development teams to provide the fabricators as much information as possible about the material properties and behavior observed in prototype testing, mock-up fabrication and assembly, and chemical and mechanical testing of the materials that may have been performed in the concept development phase. Special handling, machining, welding, and inspection of materials, if known, should also be communicated to the experiment fabrication and inspection team.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Radial Compressors with Advanced Secondary Flow Paths for Extended Operating Range

Adequate range is a critical criterion in determining the proper compressor for a given application. In industries centering on turbochargers, range is often the dominant concern. Many times, significant sacrifices in performance are made at the design point in order to obtain enough range of the machine for the duty required. Active controls, the most common being inlet guide vanes (IGVs), can provide sufficient range extension while generating minimal degradation of performance at the design point. Such devices, however, add significant cost and complexity to the machine as they require an active control mechanism. Other devices, such as recirculating casing treatment (RCT), have the advantage of both cost and simplicity by virtue of their passive nature. They’ve seen widespread adoption in the turbocharger industry, though they are generally less effective than IGVs in extending range. A novel approach to extend compressor range through a passive method is proposed here. The method takes some inspiration from classical RCT applications in that it prompts recirculation at low flow rates and corresponding higher back pressures. This recirculation then occupies a portion of the primary cross-sectional passage area and confines the rest of the non-recirculating flow to a smaller area. This restriction forces a higher meridional velocity and a more favorable incidence angle at the impeller blade leading edge. The recirculation is accomplished by laying out an expanded secondary flow path at the rear of the impeller leading back to the inlet hub region. Vanes on the rear of the impeller disk provide just enough pressure rise to counter the induced pressure from the primary flow at the design point. This yields very low mass flow in the secondary path, a condition known as “shutoff” in the pump industry. At lower primary flow levels, and higher back pressures, the secondary flow is induced back to the impeller inlet setting up the recirculation region and pinching the primary flow. Various vane configurations and layouts in the secondary region are explained, and advantages and disadvantages of each are covered. The range extensions made possible by this method and the corresponding impact on performance is discussed.

compressors, extended operating range↗

A novel digital pulse processing architecture for nuclear instrumentation

The field of nuclear instrumentation covers a wide range of applications, including counting, spectrometry, pulse shape discrimination and multi-channel coincidence. These applications are the topic of many researches, new algorithms and implementations are constantly proposed thanks to advances in digital signal processing. However, these improvements are not yet implemented in instrumentation devices. This is especially true for neutron-gamma discrimination applications which traditionally use charge comparison method while literature proposes other algorithms based on frequency domain or wavelet theory which show better performances. Another example is pileups which are generally rejected while pileup correction algorithms also exist. These processes are traditionally performed offline due to two issues. The first is the Poissonian characteristic of the signal, composed of random arrival pulses which requires to current architectures to work in data flow. The second is the real-time requirement, which implies losing pulses when the pulse rate is too high. Despite the possibility of treating the pulses independently from each other, current architectures paralyze the acquisition of the signal during the processing of a pulse. This loss is called dead-time. These two issues have led current architectures to use dedicated solutions based on re-configurable components like Field Programmable Gate Arrays (FPGAs) to overcome the need of performance necessary to deal with dead-time. However, dedicated hardware algorithm implementations on re-configurable technologies are complex and time-consuming. For all these reasons, a programmable Digital pulse Processing (DPP) architecture in a high level language such as Cor C++ which can reduce dead-time would be worthwhile for nuclear instrumentation. This would reduce prototyping and test duration by reducing the level of hardware expertise to implement new algorithms. However, today's programmable solutions do not meet the need of performance to operate online and not allow scaling with the increase in the number of measurement channel. That is why an innovative DPP architecture is proposed in this paper. This architecture is able to overcome dead-time while being programmable and is flexible with the number of measurement channel. Proposed architecture is based on an innovative execution model for pulse processing applications which can be summarized as follow. The signal is not composed of pulses only, consequently, pulses processing does not have to operate on the entire signal. Therefore, the first step of our proposal is pulse extraction by the use of dedicated components named pulse extractors. The triggering step can be achieved after the analog-to-digital conversion without any signal shaping or filtering stages. Pileup detection and accurate pulse time stamping are done at this stage. Any application downstream this step can work on adaptive variable-sized array of samples simplifying pulse processing methods. Then, once the data flow is broken, it is possible to distribute pulses on Functional Units (FUs) which perform processing. As the date of each pulse is known, they can be processed individually out-of-order to provide the results. To manage the pulses distribution, a scheduler and an interconnection network are used. pulses are distributed on the first FU which is not busy without congesting the interconnection network. For this reason, the process duration does not result anymore in dead-time if there are enough FUs. FUs are designed to be standalone and to comprises at least a programmable general purpose processor (ARM, Microblaze) allowing the implementation of complex algorithms without any modification of the hardware. An acquisition chain is composed of a succession of algorithms which lead to organize our FUs as a software macro-pipeline, A simple approach consists in assigning one algorithm per FU. Consequently, the global latency becomes the worst latency of algorithms execution on FU. Moreover, as algorithms are executed locally - i.e. on a FU - this approach limits shared memory requirement. To handle multichannel, we propose FUs sharing, this approach maximize the chance to find a non-busy FU to process an incoming pulse. This is possible since each channel receive random event independently, the pulse extractors associated to them do not necessarily need to access simultaneously to all Computing resources at the same time to distribute their pulses. The major contribution of this paper is the proposition of an execution model and its associated hardware programmable architecture for digital pulse processing that can handle multiple acquisition channels while maintaining the scalability thanks to the use of shared resources. This execution model and associated architecture are validated by simulation of a cycle accurate architecture SystemC model. Proposed architecture shows promising results in terms of scalability while maintaining zero dead-time. This work also permit the sizing of hardware resources requirement required for a predefined set of applications. Future work will focus on the interconnection network and a scheduling policy that can exploit the variable-length of pulses. Then, the hardware implementation of this architecture will be performed and tested for a representative set of application.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Acclimation Enhances Postrelease Performance of Hatchery Fall Chinook Salmon Subyearlings While Reducing the Potential for Interaction with Natural Fish

Abstract One form of prerelease acclimation of hatchery anadromous salmonid Oncorhynchus spp. juveniles is to truck the fish to remote points for extended holding at low densities in rearing vessels (e.g., tanks, raceways, or in-ground ponds) supplied with river water. We conducted a 3-year study to determine whether such acclimation enhanced the postrelease performance of hatchery fall Chinook Salmon O. tshawytscha subyearlings and reduced the potential for interaction with natural fall Chinook Salmon subyearlings. In comparison with hatchery subyearlings that were released directly into the lower Snake River just downstream of the acclimation facility, acclimated hatchery subyearlings (1) passed downstream to Lower Monumental Dam (the third dam encountered during seaward migration) faster, (2) passed the dam earlier, and (3) survived from release to the dam tailrace at higher rates. The differences in downstream passage rate and dam passage timing were also much greater between acclimated hatchery subyearlings and natural subyearlings than between directly released hatchery subyearlings and natural subyearlings. Thus, acclimation provided a survival advantage to the hatchery fish while reducing the potential for (1) aggressive and nonaggressive social interactions with natural fish while in transit through the reservoirs associated with Lower Granite, Little Goose, and Lower Monumental dams; and (2) confinement with natural fish at those three dams, where fish collection and raceway holding were followed by transport in tanker trucks. Our findings support acclimation as a method for enhancing postrelease performance of hatchery fall Chinook Salmon subyearlings and reducing their potential interactions with natural conspecifics. Received July 25, 2012; accepted January 9, 2013

Rosenberger, Stuart J.↗

Accelerated Aging of PV Cables - The Development of Methods Towards Combined-Accelerated Stress Testing

PV cables allow the collection and distribution of electricity from modules to the energy grid. Durable cabling allows continuous operation of PV installations. Cables with a life less than that of the modules must be replaced - reducing electricity generation and adding to the system operating expense. We have examined the durability of a variety of representative cable samples using artificial UV weathering (IEC TS 62788-7-2) and combined accelerated stress testing (C-AST). Jackets in this study include PV-rated (polyolefin), building wire (PVC/PA), and multi-conductor (rubber, as in PV trackers), with some examples of black and red cables. Characterizations at read points include appearance (camera and optical microscope), surface roughness (linear profilometry), instrumented indentation, surface morphology (SEM), chemical composition (EDS), thermal decomposition (TGA), phase transition (DSC), crystalline structure (WAXS), and polymer chemical structure (FTIR). Complimentary examinations confirm damage to the external and interior layer(s) of less durable samples, including changes in morphology (e.g., cracking), chemistry (e.g., oxidation), structure, and mechanical performance (e.g., through-thickness modulus and hardness). The results may be generally compared to other examples from the field (PV installations) or after accelerated testing (IEC 61215). The methods in this study are presently being applied in a follow-on C-AST study, incorporating both dynamic and kinematic fixtures.

balance of systems↗

Characterizing the Thermal Column Beam in the University of Massachusetts Lowell Research Reactor

The University of Massachusetts Lowell operates a 1 MW, light water cooled and moderated Research Reactor (UMLRR) fueled by low-enriched uranium to generate neutron flux that is used at a variety of in-core and beam port facilities within the reactor to perform irradiation experiments for academic and industrial research. One of the irradiation sites is a graphite-moderated thermal column designed to deliver a collimated beam of thermal neutrons to a neutron radiography imaging system. A detailed characterization of the neutron beam is essential for the design and interpretation of experiments at the facility and for radiation safety. This work aimed to characterize the neutron flux and energy spectrum in the UMLRR thermal column beam by employing experimental and computational methods known as the foil activation and spectrum unfolding technique. A previously existing Monte Carlo N-Particle transport (MCNP) model of the UMLRR reactor core has been extended to the thermal column where the neutron flux and energy spectrum have been computed and experimentally validated. This work employed the foil activation and spectrum unfolding technique along with neutron transport computation to extend the knowledge of the neutron fluence and energy spectrum from the UMLRR core to the adjacent thermal column beam. Radiography systems are used for materials characterization, studying dynamic behavior of engineering systems, and for nuclear forensics applications. Foil activation is an experimental method where thin foils of highly pure materials are placed in the beam where interactions between the neutrons and the foil material activate radioisotopes in the foils whose activities can be measured after the irradiation. Downstream computation with MCNP and the spectrum unfolding code SAND can deconvolute the neutron fluence and energy spectrum that must have been necessary to induce the production rates of radioisotopes that were obtained through foil activation. The necessary ingredients for successful spectrum unfolding are the experimentally measured production rates and some a priori (initial guess) knowledge of the flux spectrum. The thermal column is equipped with a neutron radiography imaging system, so any experimenters who desire to use neutron radiography at UMass Lowell will benefit significantly from knowing the characteristics of the neutron beam. Comprehensive knowledge of these characteristics of the beam is essential to compare and benchmark results obtained for similar experiments at other facilities. The Integrated Nuclear Security and Safeguards Laboratory (INSSL) is pursuing the investigation of the performance of self-healing materials under stress-strain environments and the characterization of radiation detectors and special containers for storing and transporting nuclear material. This work contributes to the improvement of the current radiography system, expands the utility of the system for nuclear safeguards and security application and provides information that will enhance the general safety of the UMLRR experimental facilities. The main objective of this work has been achieved; an appropriate neutron flux spectrum for the UMLRR thermal column beam has been determined using the foil activation method followed by spectrum unfolding. There now exists an experimentally validated computational model of the neutron flux spectrum and the thermal column's neutron environment is characterized. We can conclude that the thermal column is well characterized; an appropriate neutron flux spectrum has been determined through an experimentally validated computational model. Future experimenters interested in the thermal column may now expand on the computational model or use the spectral information for their own purposes. The knowledge gained herein will be helpful for the INSSL's future work using neutron radiography to analyze the effectiveness of self-healing materials and special containers. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

A neural network for determination of latent dimensionality in Nonnegative Matrix Factorization

Non-negative Matrix Factorization (NMF) has proven to be a powerful unsupervised learning method for uncovering hidden features in complex and noisy datasets with applications in data mining, text recognition, dimension reduction, face recognition, anomaly detection, blind source separation, and many other fields. An important input for NMF is the latent dimensionality of the data, that is, the number of hidden features, K, present in the explored dataset. Unfortunately, and this quantity is rarely known a priori. The existing methods for determining latent dimensionality, such as Automatic Relevance Determination (ARD), are mostly heuristic and utilize different characteristics to estimate the number of hidden features. However, all of them require human presence to make a final determination of K. Here we utilize a supervised machine learning approach in combination with a recent method for model determination, called NMFk, to determine the number of hidden features automatically. NMFk performs a set of NMF simulations on an ensemble of matrices, obtained by bootstrapping the initial dataset, and estimates which K produces stable groups of latent features that reconstruct the initial dataset well. We then train a Multi-Layter Perceptron (MLP) classifier network to determine the correct number of latent features utilizing the statistics and characteristics of the NMF solution, obtained from NMFk. In order to train the MLP classifier, a training set of 58,660 matrices with predetermined latent features were factorized with NMFk. The MLP classifier in conjunction with NMFk maintains a greater than 95% success rate when applied to a held out test set. Additionally, when applied to two well-known benchmark datasets, the swimmer and MIT face data, NMFk/MLP correctly recovers the established number of hidden features. Finally, we compare the accuracy of our method to the ARD, AIC and Stability-based methods.

97 MATHEMATICS AND COMPUTING↗

Technology Solutions Case Study: Optimizing Hydronic System Performance in Residential Applications, Ithaca, New York

Condensing boiler technology has been around for many years and has proven to be a durable, reliable method of heating. Based on previous research efforts, however, it is apparent that these types of systems are not designed and installed to achieve maximum efficiency. For example, in order to protect their equipment in the field, manufacturers of low-mass condensing boilers typically recommend design strategies and components that ensure steady, high flow rates through the heat exchangers, such as primary-secondary piping, which ultimately result in decreased efficiency. There is also a significant lack of information for contractors on how to configure these systems to optimize overall efficiency. In response to these findings, researchers from Building America team Consortium for Advanced Residential Buildings worked with industry partners to develop hydronic system designs that would address these issues and result in higher overall system efficiencies and improved response times.

AFUE↗

SU-E-T-608: Performance Comparison of Four Commercial Treatment Planning Systems Applied to Intensity-Modulated Radiotherapy

Purpose: To compare the performances of four commercial treatment planning systems (TPS) used for the intensity-modulated radiotherapy (IMRT). Methods: Ten patients of nasopharyngeal (4 cases), esophageal (3 cases) and cervical (3 cases) cancer were randomly selected from a 3-month IMRT plan pool at one radiotherapy center. For each patient, four IMRT plans were newly generated by using four commercial TPS (Corvus, Monaco, Pinnacle and Xio), and then verified with Matrixx (two-dimensional array/IBA Company) on Varian23EX accelerator. A pass rate (PR) calculated from the Gamma index by OminiPro IMRT 1.5 software was evaluated at four plan verification standards (1%/1mm, 2%/2mm, 3%/3mm, 4%/4mm and 5%/5mm) for each treatment plan. Overall and multiple pairwise comparisons of PRs were statistically conducted by analysis of covariance (ANOVA) F and LSD tests among four TPSs. Results: Overall significant (p>0.05) differences of PRs were found among four TPSs with F test values of 3.8 (p=0.02), 21.1(>0.01), 14.0 (>0.01), 8.3(>0.01) at standards of 1%/1mm to 4%/4mm respectively, except at 5%/5mm standard with 2.6 (p=0.06). All means (standard deviation) of PRs at 3%/3mm of 94.3 ± 3.3 (Corvus), 98.8 ± 0.8 (Monaco), 97.5± 1.7 (Pinnacle), 98.4 ± 1.0 (Xio) were above 90% and met clinical requirement. Multiple pairwise comparisons had not demonstrated a consistent low or high pattern on either TPS. Conclusion: Matrixx dose verification results show that the validation pass rates of Monaco and Xio plans are relatively higher than those of the other two; Pinnacle plan shows slight higher pass rate than Corvus plan; lowest pass rate was achieved by the Corvus plan among these four kinds of TPS.

60 APPLIED LIFE SCIENCES↗

Python-based in situ analysis and visualization

This work focuses on enabling the use of Python-based methods for the purpose of performing in situ analysis and visualization. This approach facilitates access to and use of a rapidly growing collection of Python-based, third-party libraries for analysis and visualization, as well as lowering the barrier to entry for user-written Python analysis codes. Beginning with a simulation code that is instrumented to use the SENSEI in situ interface, we present how to couple it with a Python-based data consumer, which may be run in situ, and in parallel at the same concurrency as the simulation. We present two examples that demonstrate the new capability. One is an analysis of the reaction rate in a proxy simulation of a chemical reaction on a 2D substrate, while the other is a coupling of an AMR simulation to Yt, a parallel visualization and analysis library written in Python. In the examples, both the simulation and Python in situ method run in parallel on a large-scale HPC platform.

Loring, Burlen↗

The redshift evolution of the mean temperature, pressure, and entropy profiles in 80 SPT-selected galaxy clusters

We present the results of an X-ray analysis of 80 galaxy clusters selected in the 2500 deg{sup 2} South Pole Telescope survey and observed with the Chandra X-ray Observatory. We divide the full sample into subsamples of ∼20 clusters based on redshift and central density, performing a joint X-ray spectral fit to all clusters in a subsample simultaneously, assuming self-similarity of the temperature profile. This approach allows us to constrain the shape of the temperature profile over 0 < r < 1.5R {sub 500}, which would be impossible on a per-cluster basis, since the observations of individual clusters have, on average, 2000 X-ray counts. The results presented here represent the first constraints on the evolution of the average temperature profile from z = 0 to z = 1.2. We find that high-z (0.6 < z < 1.2) clusters are slightly (∼30%) cooler both in the inner (r < 0.1R {sub 500}) and outer (r > R {sub 500}) regions than their low-z (0.3 < z < 0.6) counterparts. Combining the average temperature profile with measured gas density profiles from our earlier work, we infer the average pressure and entropy profiles for each subsample. Confirming earlier results from this data set, we find an absence of strong cool cores at high z, manifested in this analysis as a significantly lower observed pressure in the central 0.1R {sub 500} of the high-z cool-core subset of clusters compared to the low-z cool-core subset. Overall, our observed pressure profiles agree well with earlier lower-redshift measurements, suggesting minimal redshift evolution in the pressure profile outside of the core. We find no measurable redshift evolution in the entropy profile at r ≲ 0.7R {sub 500}—this may reflect a long-standing balance between cooling and feedback over long timescales and large physical scales. We observe a slight flattening of the entropy profile at r ≳ R {sub 500} in our high-z subsample. This flattening is consistent with a temperature bias due to the enhanced (∼3×) rate at which group-mass (∼2 keV) halos, which would go undetected at our survey depth, are accreting onto the cluster at z ∼ 1. This work demonstrates a powerful method for inferring spatially resolved cluster properties in the case where individual cluster signal-to-noise is low, but the number of observed clusters is high.

79 ASTRONOMY AND ASTROPHYSICS↗