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At least 613 records · Page 34

Distribution Development for Residual Inventory at the New York West Valley Site - 20400

The New York State Energy Research and Development Authority (NYSERDA) is the owner of the Western New York Nuclear Service Center (WNYNSC), a 1,351 ha site located approximately 48 km south of Buffalo, New York. In 1962, Nuclear Fuel Services, Inc. (NFS) entered into Agreements with the Atomic Energy Commission and New York State to construct the first commercial reprocessing plant of nuclear fuel in the United States. NFS, a private company, built and operated the spent fuel reprocessing plant and waste disposal facilities, processing 640 Mg of spent nuclear fuel from 1966 to 1972 under an Atomic Energy Commission license. Nuclear fuel reprocessing operations ended in 1972 and never reopened, leaving behind radioactive and chemical wastes. Operations led to contamination in a number of facilities and locations. Some of that contamination has migrated from waste disposal zones to other layers, formations, and features on and off the WNYNSC. Phase I decommissioning activities are ongoing and involve the removal of a number of areas and structures that have been associated with contamination. The purpose of this work is to outline the approach for characterizing contamination not associated with disposed wastes, contaminated structures, or specific releases. In this work, the term, residual radiological activity, is used to describe environmental contamination that exists subsequent to the completion of Phase I decommissioning activities, that is not associated with disposed wastes, contaminated structures, or specific releases. Contamination from the Site was quantified relative to data that characterize the concentrations of radionuclides that exist in background. Background concentrations are those present in the area but having no influence from Site related activities. The existence of residual radiological activity that is elevated relative to background has the potential to contribute to future risks to human health and the environment. As a consequence, the residual inventory information is used to inform the West Valley Probabilistic Performance Assessment (PPA) model to characterize potential future risks to human health and the environment. The centralized West Valley Data Management System (DMS) was the source of information for the data assembled in this analysis. The DMS is a fairly large compilation consisting of thousands of records from investigation studies, with sample dates ranging from 1990 to present. Samples from monitoring wells, boreholes, geoprobe studies, surface water, surface soils, storm water outfalls, ventilation stack filters, plant and animal tissues, and more are included in the DMS. Results are typically reported in units of activity per unit volume. For the purpose of the analyses presented here, all results were converted into consistent units of pCi per unit volume. Since 1990, data have been collected from various locations across the WNYNSC at different times with varying frequency over the course of several decades. As a consequence, a number of potential issues can arise with respect to the assembly of a dataset that is deemed adequate for the characterization of residual radiological activity. These issues were assessed and resolved to the extent possible through careful consideration of the properties of the distributions. The intent was to use data which characterize the current state of the Site. Radionuclides can be designated to one of several groups depending on their origin. In this work the groups considered were 1) Naturally Occurring Radioactive Material (NORM), 2) fallout, and 3) Other (including power plant, medical research, etc). This grouping is a useful construct with respect to the interpretation of fixed laboratory results. For example, NORM radionuclides that exist within a decay chain should have approximately equivalent distributions of concentrations if they are representative of background conditions. Insights such as these can be used as a check to identify sample results that need to be further investigated or omitted due to issues associated with reported results from fixed laboratory analyses. This type of analysis provided a foundation for the assessment of the adequacy of sample results for use in subsequent components of an assessment. The general process for the assessment of residual radiological contamination at the Site consists of a sequence of several steps. First, for each analyte, several statistical tests were performed to assess the weight of evidence against the null hypothesis that the mean of the distribution of concentrations was equal to zero. If the mean of the distribution of concentrations for a given radionuclide was not found to be greater than zero, then it was removed from consideration as a component of the residual radiological contamination. If there was significant evidence to reject the hypothesis of the mean being equal to zero, the second step was to compare the distribution of the data from the Site to that of the corresponding background. A suite of tests was used to compare the distributions of the site and background data. The results of these tests were collectively used to determine if site data are elevated relative to background. The third step was to develop distributions using a Bayesian framework to characterize the distribution of mean of the increment present above background for each of the radionuclides. The Bayesian model implemented allowed for the comparison of site-specific records to background concentrations to better approximate contamination attributed to the Site. A final screening step was employed for radionuclides that exceed background. This screening step compared 95% upper confidence limits (UCLs) from the increment distribution developed in the previous step to the risk screening levels. This approach yields a list of analytes that were determined to be elevated relative to background.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Approximate Bayesian computation for forward modeling in cosmology

Bayesian inference is often used in cosmology and astrophysics to derive constraints on model parameters from observations. This approach relies on the ability to compute the likelihood of the data given a choice of model parameters. In many practical situations, the likelihood function may however be unavailable or intractable due to non-gaussian errors, non-linear measurements processes, or complex data formats such as catalogs and maps. In these cases, the simulation of mock data sets can often be made through forward modeling. We discuss how Approximate Bayesian Computation (ABC) can be used in these cases to derive an approximation to the posterior constraints using simulated data sets. This technique relies on the sampling of the parameter set, a distance metric to quantify the difference between the observation and the simulations and summary statistics to compress the information in the data. We first review the principles of ABC and discuss its implementation using a Population Monte-Carlo (PMC) algorithm and the Mahalanobis distance metric. We test the performance of the implementation using a Gaussian toy model. We then apply the ABC technique to the practical case of the calibration of image simulations for wide field cosmological surveys. We find that the ABC analysis is able to provide reliable parameter constraints for this problem and is therefore a promising technique for other applications in cosmology and astrophysics. Our implementation of the ABC PMC method is made available via a public code release.

79 ASTRONOMY AND ASTROPHYSICS↗

The entropy of galaxy spectra: how much information is encoded?

Abstract The inverse problem of extracting the stellar population content of galaxy spectra is analysed here from a basic standpoint based on information theory. By interpreting spectra as probability distribution functions, we find that galaxy spectra have high entropy, thus leading to a rather low effective information content. The highest variation in entropy is unsurprisingly found in regions that have been well studied for decades with the conventional approach. We target a set of six spectral regions that show the highest variation in entropy – the 4000 Å break being the most informative one. As a test case with real data, we measure the entropy of a set of high-quality spectra from the Sloan Digital Sky Survey, and contrast entropy-based results with the traditional method based on line strengths. The data are classified into star-forming (SF), quiescent (Q), and active galactic nucleus (AGN) galaxies, and show – independently of any physical model – that AGN spectra can be interpreted as a transition between SF and Q galaxies, with SF galaxies featuring a more diverse variation in entropy. The high level of entanglement complicates the determination of population parameters in a robust, unbiased way, and affects traditional methods that compare models with observations, as well as machine learning (especially deep learning) algorithms that rely on the statistical properties of the data to assess the variations among spectra. Entropy provides a new avenue to improve population synthesis models so that they give a more faithful representation of real galaxy spectra.

Ferreras, Ignacio (ORCID:0000000345843127)↗

SU-F-P-20: Predicting Waiting Times in Radiation Oncology Using Machine Learning

Purpose: Waiting times remain one of the most vexing patient satisfaction challenges facing healthcare. Waiting time uncertainty can cause patients, who are already sick or in pain, to worry about when they will receive the care they need. These waiting periods are often difficult for staff to predict and only rough estimates are typically provided based on personal experience. This level of uncertainty leaves most patients unable to plan their calendar, making the waiting experience uncomfortable, even painful. In the present era of electronic health records (EHRs), waiting times need not be so uncertain. Extensive EHRs provide unprecedented amounts of data that can statistically cluster towards representative values when appropriate patient cohorts are selected. Predictive modelling, such as machine learning, is a powerful approach that benefits from large, potentially complex, datasets. The essence of machine learning is to predict future outcomes by learning from previous experience. The application of a machine learning algorithm to waiting time data has the potential to produce personalized waiting time predictions such that the uncertainty may be removed from the patient’s waiting experience. Methods: In radiation oncology, patients typically experience several types of waiting (eg waiting at home for treatment planning, waiting in the waiting room for oncologist appointments and daily waiting in the waiting room for radiotherapy treatments). A daily treatment wait time model is discussed in this report. To develop a prediction model using our large dataset (with more than 100k sample points) a variety of machine learning algorithms from the Python package sklearn were tested. Results: We found that the Random Forest Regressor model provides the best predictions for daily radiotherapy treatment waiting times. Using this model, we achieved a median residual (actual value minus predicted value) of 0.25 minutes and a standard deviation residual of 6.5 minutes. This means that the majority of our estimates are within 6.5 minutes of the actual wait time. Conclusion: The goal of this project was to define an appropriate machine learning algorithm to estimate waiting times based on the collective knowledge and experience learned from previous patients. Our results offer an opportunity to improve the information that is provided to patients and family members regarding the amount of time they can expect to wait for radiotherapy treatment at our centre. AJ acknowledges support by the CREATE Medical Physics Research Training Network grant of the Natural Sciences and Engineering Research Council (Grant number: 432290) and from the 2014 Q+ Initiative of the McGill University Health Centre.

60 APPLIED LIFE SCIENCES↗

Comparison of Deterministic and Statistical Models for Water Quality Compliance Forecasting in the San Joaquin River Basin, California

Model selection for water quality forecasting depends on many factors including analyst expertise and cost, stakeholder involvement and expected performance. Water quality forecasting in arid river basins is especially challenging given the importance of protecting beneficial uses in these environments and the livelihood of agricultural communities. In the agriculture-dominated San Joaquin River Basin of California, real-time salinity management (RTSM) is a state-sanctioned program that helps to maximize allowable salt export while protecting existing basin beneficial uses of water supply. The RTSM strategy supplants the federal total maximum daily load (TMDL) approach that could impose fines associated with exceedances of monthly and annual salt load allocations of up to $1 million per year based on average year hydrology and salt load export limits. The essential components of the current program include the establishment of telemetered sensor networks, a web-based information system for sharing data, a basin-scale salt load assimilative capacity forecasting model and institutional entities tasked with performing weekly forecasts of river salt assimilative capacity and scheduling west-side drainage export of salt loads. Web-based information portals have been developed to share model input data and salt assimilative capacity forecasts together with increasing stakeholder awareness and involvement in water quality resource management activities in the river basin. Two modeling approaches have been developed simultaneously. The first relies on a statistical analysis of the relationship between flow and salt concentration at three compliance monitoring sites and the use of these regression relationships for forecasting. The second salt load forecasting approach is a customized application of the Watershed Analysis Risk Management Framework (WARMF), a watershed water quality simulation model that has been configured to estimate daily river salt assimilative capacity and to provide decision support for real-time salinity management at the watershed level. Analysis of the results from both model-based forecasting approaches over a period of five years shows that the regression-based forecasting model, run daily Monday to Friday each week, provided marginally better performance. However, the regression-based forecasting model assumes the same general relationship between flow and salinity which breaks down during extreme weather events such as droughts when water allocation cutbacks among stakeholders are not evenly distributed across the basin. A recent test case shows the utility of both models in dealing with an exceedance event at one compliance monitoring site recently introduced in 2020.

54 ENVIRONMENTAL SCIENCES↗

Toward High Fidelity LES Simulations of 5 x 5 PWR Fuel Bundle with Mixing Vane

The present work illustrates one example of a computational fluid dynamics (CFD) application in the nuclear engineering field. Since CFD is one of the most powerful tools available at the actual state of the art that could in principle help and assist the design process, a compromise should be established between the accuracy of the CFD numerical model (RANS - LES - DNS) and the computational cost of the simulations. In this spirit, this work will present the computational results from two different CFD model categories, Large Eddy Simulations (LES) and Reynolds-averaged Navier-Stokes (RANS) models. Both treat the flow turbulence issue in two separate ways, which differ mostly in the resolution of the turbulence statistics and the computational cost. The single-phase hydraulic problem presented involves the steady-state turbulent flow field modelling and resolution around a scaled PWR mixing vane grid, designed by Westinghouse and tested by Texas A and M University. The role of the mixing vane/spacer grid is to enhance the turbulent mixing and hence heat transfer of the core coolant around fuel bundles, thus increasing the departure of nucleate boiling-critical heat flux (DNB-CHF) point, as well as important structural functions for the rods bundles. The authors numerically studied the flow field characteristics at the region downstream of the spacer grids and validated their results to particle imagery velocimetry (PIV) measurements. Dominguez and Hassan performed two-dimensional time resolved PIV (TR-PIV) measurements within a 5 x 5 PWR rod bundle with spacer-grids that utilized a matching index of refraction (MIR) approach. Their averaged data showed a rather uniform direction velocity profile after the spacer grid while the downstream illustrated a no slip wall profile. The available PIV flow field experimental results from Texas A and M show complex structures of the flow field downstream the mixing vanes with the formation of secondary flows that tend to enhance the turbulent heat transfer, due to the mixing vanes geometry itself. Computational results will be validated with the available experimental data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Planck 2015 results: XI. CMB power spectra, likelihoods, and robustness of parameters

This study presents the Planck 2015 likelihoods, statistical descriptions of the 2-point correlationfunctions of the cosmic microwave background (CMB) temperature and polarization fluctuations that account for relevant uncertainties, both instrumental and astrophysical in nature. They are based on the same hybrid approach used for the previous release, i.e., a pixel-based likelihood at low multipoles (ℓ< 30) and a Gaussian approximation to the distribution of cross-power spectra at higher multipoles. The main improvements are the use of more and better processed data and of Planck polarization information, along with more detailed models of foregrounds and instrumental uncertainties. The increased redundancy brought by more than doubling the amount of data analysed enables further consistency checks and enhanced immunity to systematic effects. It also improves the constraining power of Planck, in particular with regard to small-scale foreground properties. Progress in the modelling of foreground emission enables the retention of a larger fraction of the sky to determine the properties of the CMB, which also contributes to the enhanced precision of the spectra. Improvements in data processing and instrumental modelling further reduce uncertainties. Extensive tests establish the robustness and accuracy of the likelihood results, from temperature alone, from polarization alone, and from their combination. For temperature, we also perform a full likelihood analysis of realistic end-to-end simulations of the instrumental response to the sky, which were fed into the actual data processing pipeline; this does not reveal biases from residual low-level instrumental systematics. Even with the increase in precision and robustness, the ΛCDM cosmological model continues to offer a very good fit to the Planck data. The slope of the primordial scalar fluctuations, n s , is confirmed smaller than unity at more than 5σ from Planck alone. We further validate the robustness of the likelihood results against specific extensions to the baseline cosmology, which are particularly sensitive to data at high multipoles. For instance, the effective number of neutrino species remains compatible with the canonical value of 3.046. For this first detailed analysis of Planck polarization spectra, we concentrate at high multipoles on the E modes, leaving the analysis of the weaker B modes to future work. At low multipoles we use temperature maps at all Planck frequencies along with a subset of polarization data. These data take advantage of Planck’s wide frequency coverage to improve the separation of CMB and foreground emission. Within the baseline ΛCDM cosmology this requires τ = 0.078 ± 0.019 for the reionization optical depth, which is significantly lower than estimates without the use of high-frequency data for explicit monitoring of dust emission. At high multipoles we detect residual systematic errors in E polarization, typically at the μK 2 level; we therefore choose to retain temperature information alone for high multipoles as the recommended baseline, in particular for testing non-minimal models. Finally and nevertheless, the high-multipole polarization spectra from Planck are already good enough to enable a separate high-precision determination of the parameters of the ΛCDM model, showing consistency with those established independently from temperature information alone.

79 ASTRONOMY AND ASTROPHYSICS↗

High-speed GPU-based finite element simulations for NDT

The finite element method solved with explicit time increments is a general approach which can be applied to many ultrasound problems. It is widely used as a powerful tool within NDE for developing and testing inspection techniques, and can also be used in inversion processes. However, the solution technique is computationally intensive, requiring many calculations to be performed for each simulation, so traditionally speed has been an issue. For maximum speed, an implementation of the method, called Pogo [Huthwaite, J. Comp. Phys. 2014, doi: 10.1016/j.jcp.2013.10.017], has been developed to run on graphics cards, exploiting the highly parallelisable nature of the algorithm. Pogo typically demonstrates speed improvements of 60-90x over commercial CPU alternatives. Pogo is applied to three NDE examples, where the speed improvements are important: guided wave tomography, where a full 3D simulation must be run for each source transducer and every different defect size; scattering from rough cracks, where many simulations need to be run to build up a statistical model of the behaviour; and ultrasound propagation within coarse-grained materials where the mesh must be highly refined and many different cases run.

36 MATERIALS SCIENCE↗

SU-G-JeP1-12: Head-To-Head Performance Characterization of Two Multileaf Collimator Tracking Algorithms for Radiotherapy

Purpose: Multi-leaf collimator (MLC) tracking is being clinically pioneered to continuously compensate for thoracic and abdominal motion during radiotherapy. The purpose of this work is to characterize the performance of two MLC tracking algorithms for cancer radiotherapy, based on a direct optimization and a piecewise leaf fitting approach respectively. Methods: To test the algorithms, both physical and in silico experiments were performed. Previously published high and low modulation VMAT plans for lung and prostate cancer cases were used along with eight patient-measured organ-specific trajectories. For both MLC tracking algorithm, the plans were run with their corresponding patient trajectories. The physical experiments were performed on a Trilogy Varian linac and a programmable phantom (HexaMotion platform). For each MLC tracking algorithm, plan and patient trajectory, the tracking accuracy was quantified as the difference in aperture area between ideal and fitted MLC. To compare algorithms, the average cumulative tracking error area for each experiment was calculated. The two-sample Kolmogorov-Smirnov (KS) test was used to evaluate the cumulative tracking errors between algorithms. Results: Comparison of tracking errors for the physical and in silico experiments showed minor differences between the two algorithms. The KS D-statistics for the physical experiments were below 0.05 denoting no significant differences between the two distributions pattern and the average error area (direct optimization/piecewise leaf-fitting) were comparable (66.64 cm2/65.65 cm2). For the in silico experiments, the KS D-statistics were below 0.05 and the average errors area were also equivalent (49.38 cm2/48.98 cm2). Conclusion: The comparison between the two leaf fittings algorithms demonstrated no significant differences in tracking errors, neither in a clinically realistic environment nor in silico. The similarities in the two independent algorithms give confidence in the use of either algorithm for clinical implementation.

60 APPLIED LIFE SCIENCES↗

Surface thermodynamics of planar, cylindrical, and spherical vapour-liquid interfaces of water

The test-area (TA) perturbation approach has been gaining popularity as a methodology for the direct computation of the interfacial tension in molecular simulation. Though originally implemented for planar interfaces, the TA approach has also been used to analyze the interfacial properties of curved liquid interfaces. Here, we provide an interpretation of the TA method taking the view that it corresponds to the change in free energy under a transformation of the spatial metric for an affine distortion. By expressing the change in configurational energy of a molecular configuration as a Taylor expansion in the distortion parameter, compact relations are derived for the interfacial tension and its energetic and entropic components for three different geometries: planar, cylindrical, and spherical fluid interfaces. While the tensions of the planar and cylindrical geometries are characterized by first-order changes in the energy, that of the spherical interface depends on second-order contributions. We show that a greater statistical uncertainty is to be expected when calculating the thermodynamic properties of a spherical interface than for the planar and cylindrical cases, and the evaluation of the separate entropic and energetic contributions poses a greater computational challenge than the tension itself. The methodology is employed to determine the vapour-liquid interfacial tension of TIP4P/2005 water at 293 K by molecular dynamics simulation for planar, cylindrical, and spherical geometries. A weak peak in the curvature dependence of the tension is observed in the case of cylindrical threads of condensed liquid at a radius of about 8 Å, below which the tension is found to decrease again. In the case of spherical drops, a marked decrease in the tension from the planar limit is found for radii below ∼ 15 Å; there is no indication of a maximum in the tension with increasing curvature. The vapour-liquid interfacial tension tends towards the planar limit for large system sizes for both the cylindrical and spherical cases. Estimates of the entropic and energetic contributions are also evaluated for the planar and cylindrical geometries and their magnitudes are in line with the expectations of our simple analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Extending the modeling of the anisotropic galaxy power spectrum to k = 0.4 h Mpc{sup −1}

We present a model for the redshift-space power spectrum of galaxies and demonstrate its accuracy in describing the monopole, quadrupole, and hexadecapole of the galaxy density field down to scales of k = 0.4 h Mpc{sup −1}. The model describes the clustering of galaxies in the context of a halo model and the clustering of the underlying halos in redshift space using a combination of Eulerian perturbation theory and N -body simulations. The modeling of redshift-space distortions is done using the so-called distribution function approach. The final model has 13 free parameters, and each parameter is physically motivated rather than a nuisance parameter, which allows the use of well-motivated priors. We account for the Finger-of-God effect from centrals and both isolated and non-isolated satellites rather than using a single velocity dispersion to describe the combined effect. We test and validate the accuracy of the model on several sets of high-fidelity N -body simulations, as well as realistic mock catalogs designed to simulate the BOSS DR12 CMASS data set. The suite of simulations covers a range of cosmologies and galaxy bias models, providing a rigorous test of the level of theoretical systematics present in the model. The level of bias in the recovered values of f σ{sub 8} is found to be small. When including scales to k = 0.4 h Mpc{sup −1}, we find 15-30% gains in the statistical precision of f σ{sub 8} relative to k = 0.2 h Mpc{sup −1} and a roughly 10–15% improvement for the perpendicular Alcock-Paczynski parameter α{sub ⊥}. Using the BOSS DR12 CMASS mocks as a benchmark for comparison, we estimate an uncertainty on f σ{sub 8} that is ∼10–20% larger than other similar Fourier-space RSD models in the literature that use k ≤ 0.2 h Mpc{sup −1}, suggesting that these models likely have a too-limited parametrization.

79 ASTRONOMY AND ASTROPHYSICS↗

Image segmentation with a novel regularized composite shape prior based on surrogate study

Purpose: Incorporating training into image segmentation is a good approach to achieve additional robustness. This work aims to develop an effective strategy to utilize shape prior knowledge, so that the segmentation label evolution can be driven toward the desired global optimum. Methods: In the variational image segmentation framework, a regularization for the composite shape prior is designed to incorporate the geometric relevance of individual training data to the target, which is inferred by an image-based surrogate relevance metric. Specifically, this regularization is imposed on the linear weights of composite shapes and serves as a hyperprior. The overall problem is formulated in a unified optimization setting and a variational block-descent algorithm is derived. Results: The performance of the proposed scheme is assessed in both corpus callosum segmentation from an MR image set and clavicle segmentation based on CT images. The resulted shape composition provides a proper preference for the geometrically relevant training data. A paired Wilcoxon signed rank test demonstrates statistically significant improvement of image segmentation accuracy, when compared to multiatlas label fusion method and three other benchmark active contour schemes. Conclusions: This work has developed a novel composite shape prior regularization, which achieves superior segmentation performance than typical benchmark schemes.

60 APPLIED LIFE SCIENCES↗

SU-F-T-252: An Investigation of Gamma Knife Frame Definition Error When Using a Pre-Planning Workflow

Purpose: To determine causal factors related to high frame definition error when treating GK patients using a pre-planning workflow. Methods: 160 cases were retrospectively reviewed. All patients received treatment using a pre-planning workflow whereby stereotactic coordinates are determined from a CT scan acquired after framing using a fiducial box. The planning software automatically detects the fiducials and compares their location to expected values based on the rigid design of the fiducial system. Any difference is reported as mean and maximum frame definition error. The manufacturer recommends these values be less than 1.0 mm and 1.5 mm. In this study, frame definition error was analyzed in comparison with a variety of factors including which neurosurgeon/oncologist/physicist was involved with the procedure, number of post used during framing (3 or 4), type of lesion, and which CT scanner was utilized for acquisition. An analysis of variance (ANOVA) approach was used to statistically evaluate the data and determine causal factors related to instances of high frame definition error. Results: Two factors were identified as significant: number of post (p=0.0003) and CT scanner (p=0.0001). Further analysis showed that one of the four scanners was significantly different than the others. This diagnostic scanner was identified as an older model with localization lasers not tightly calibrated. The average value for maximum frame definition error using this scanner was 1.48 mm (4 posts) and 1.75 mm (3 posts). For the other scanners this value was 1.13 mm (4 posts) and 1.40 mm (3 posts). Conclusion: In utilizing a pre-planning workflow the choice of CT scanner matters. Any scanner utilized for GK should undergo routine QA at a level appropriate for radiation oncology. In terms of 3 vs 4 post, it is hypothesized that three posts provide less stability during CT acquisition. This will be tested in future work.

60 APPLIED LIFE SCIENCES↗

Release Notes for Whisper-1.1

Whisper is a statistical analysis package developed in 2014 to support nuclear criticality safety (NCS) validation [1-3]. It uses the sensitivity profile data for an application as computed by MCNP6 [4-6] along with covariance files [7,8] for the nuclear data to determine a baseline upper-subcritical-limit (USL) for the application. Whisper version 1.0 was first developed and used at LANL in 2014 [3]. During 2015-2016, Whisper was updated to version 1.1 [9] and is to be included with the upcoming release of MCNP6.2. This document describes the Whisper-1.1 package that will be included with the MCNP6.2 release during 2017. Specific details are provided on the computer systems supported, the software quality assurance (SQA) procedures, installation, and testing. This document does not address other important topics, such as the importance of sensitivity-uncertainty (SU) methods to NCS validation, the theory underlying SU methodology, tutorials on the usage of MCNP-Whisper, practical approaches to using SU methodology to support and extend traditional validation, etc. There are over 50 documents included with Whisper-1.1 and available in the MCNP Reference Collection on the MCNP website (mcnp.lanl.gov) that address all of those topics and more. In this document, however, a complete bibliography of relevant MCNP-Whisper references is provided.

97 MATHEMATICS AND COMPUTING↗

Optimal Methods for Estimating Cactus Pear Biomass Using Cladode Dimensions of Morphologically Diverse Accessions

Current allometric methods for photosynthetic-stem (cladode) plants, such as cactus pear (Opuntia spp.), require refinement to be used in field settings in which diverse accessions are grown. We analysed cladode dimensional data using 14 accessions representing four species and two hybrids to quantify statistically significant morphological differences among accessions and derived cross-accession models to approximate cladode fresh weight. A Box model using cladode dimensions (e.g., length, width, thickness and diameter) and factorial combinations of these measures (e.g., length*width*thickness*diameter vs. fresh weight) resulted in the highest coefficient of determination (R 2 = 0.95 general fit) across all accessions for estimating fresh weight along with parsimony estimates using the Schwarz–Bayes Criterion (SBC), which assesses the most consistent performance on individual accessions. A Fitting-box modelling approach used the measured cladode area captured using ImageJ (R 2 = 0.93 general fit). Lastly, an Elliptical model used an elliptical approximation for the measured area and performed well over all accessions (R 2 = 0.94 general fit) while avoiding extensive manual measurements. These models meet or exceed the performance of previously published approaches when applied across morphologically diverse accessions, providing efficient tools for nondestructive estimation of cactus pear biomass under the conditions tested.

Opuntia↗

A Bayesian Approach for Statistical–Physical Bulk Parameterization of Rain Microphysics. Part I: Scheme Description

A novel framework is proposed for the bulk parameterization of rain microphysics: the Bayesian Observationally Constrained Statistical–Physical Scheme (BOSS). It is designed to facilitate direct constraint by observations using Bayesian inference. BOSS combines existing process-level microphysical knowledge with flexible process rate formulations and parameters constrained by observations within a Bayesian framework. Furthermore, using a raindrop size distribution (DSD) normalization method that relates DSD moments to one another via generalized power series, generalized multivariate power expressions are derived for the microphysical process rates as functions of a set of prognostic DSD moments. The scheme is flexible and can utilize any number and combination of prognostic moments and any number of terms in the process rate formulations. This means that both uncertainty in parameter values and structural uncertainty associated with the process rate formulations can be investigated systematically, which is not possible using traditional schemes. In this paper, BOSS is compared to two- and three-moment versions of a traditional bulk rain microphysics scheme (denoted as MORR). It is demonstrated that some process formulations in MORR are analytically equivalent to the generalized power expressions in BOSS using one or two terms, while others are not. BOSS is able to replicate the behavior of MORR in idealized one-dimensional rainshaft tests, but with a much more flexible and systematic design. Part II of this study describes the application of BOSS to derive rain microphysical process rates and posterior parameter distributions in Bayesian experiments using Markov chain Monte Carlo sampling constrained by synthetic observations.

58 GEOSCIENCES↗

A Novel Statistical Method for Measuring the Temperature–Density Relation in the IGM Using the b – N Hi Distribution of Absorbers in the Ly α Forest

We propose a new method for determining the thermal state of the intergalactic medium based on Voigt profile decomposition of the Lyα forest. The distribution of Doppler parameter and column density (b–N H i distribution) is sensitive to the temperature–density relation T = T 0 (ρ/ρ 0 ) γ-1 , and previous work has inferred T 0 and γ by fitting its low-b cutoff. This approach discards the majority of available data and is susceptible to systematics related to cutoff determination. We introduce an approach that exploits all information encoded in the b – N H i distribution by modeling its entire shape. We apply kernel density estimation to discrete absorption lines to generate model probability density functions, and then we use principal component decomposition to create an emulator that can be evaluated anywhere in thermal parameter space. We introduce a Bayesian likelihood based on these models enabling parameter inference via Markov Chain Monte Carlo. The method's robustness is tested by applying it to a large grid of thermal history simulations. By conducting 160 mock measurements, we establish that our approach delivers unbiased estimates and valid uncertainties for a 2D ( T 0 , γ) measurement. Furthermore, we conduct a pilot study applying this methodology to real observational data at z = 2. Using 200 absorbers, equivalent in path length to a single Lya forest spectrum, we measure $\mathrm{log}{T}_{0}={4.092}_{-0.055}^{+0.050}$ and $\gamma ={1.49}_{-0.074}^{+0.073}$ in excellent agreement with cutoff fitting determinations using the same data. Our method is far more sensitive than cutoff fitting, enabling measurements of log T 0 and γ with precision on $\mathrm{log}{T}_{0}$ (γ) nearly two (three) times higher for current data set sizes.

79 ASTRONOMY AND ASTROPHYSICS↗