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Computer Simulation of an Electrostatic Generator: Example Case

A test case of the LLNL Electrostatic Generator system was run on an in-house simulation code, the results of which can be used as a check on other E-S Generator simulation codes. This report describes the electrical circuit employed in the calculation, its parameters, and selected results. These results have not been checked against an independent code (such as the SPICE code) and therefor there is no implied guarantee of the validity of the data summarized here.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Potential Application Of Radionuclide Scaling Factors To High Level Waste Characterization

Production sources, radiological properties, relative solubilities in waste, and laboratory analysis techniques for the forty-five radionuclides identified in Hanford's Waste Treatment and Immobilization Plant (WTP) Feed Acceptance Data Quality Objectives (DQO) document are addressed in this report. Based on Savannah River Site (SRS) experience and waste characteristics, thirteen of the radionuclides are judged to be candidates for potential scaling in High Level Waste (HLW) based on the concentrations of other radionuclides as determined through laboratory measurements. The thirteen radionuclides conducive to potential scaling are: Ni-59, Zr-93, Nb-93m, Cd-113m, Sn-121m, Sn-126, Cs-135, Sm-151, Ra-226, Ra-228, Ac-227, Pa-231, and Th-229. The ability to scale radionuclides is useful from two primary perspectives: 1) it provides a means of checking the radionuclide concentrations that have been determined by laboratory analysis; and 2) it provides a means of estimating radionuclide concentrations in the absence of a laboratory analysis technique or when a complex laboratory analysis technique fails. Along with the rationale for identifying and applying the potential scaling factors, this report also provides examples of using the scaling factors to estimate concentrations of radionuclides in current SRS waste and into the future. Also included in the report are examples of independent laboratory analysis techniques that can be used to check results of key radionuclide analyses. Effective utilization of radionuclide scaling factors requires understanding of the applicable production sources and the chemistry of the waste. As such, the potential scaling approaches identified in this report should be assessed from the perspective of the Hanford waste before reaching a decision regarding WTP applicability.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Gamma Detector Response/Soil Concentration Correlation Study at the AAR Manufacturing, Inc. Site, Livonia, Michigan

At the NRC's request, ORAU conducted surveys of the AAR Manufacturing site during the period of September 25 through September 27, 2012. The survey activities included walkover surveys and sampling activities. Once the survey team was onsite, the NRC personnel decided to forgo survey activities in the New Addition and the pickling area. Areas of the planned study boundary were inaccessible due to overgrowth/large pieces of concrete covering the soil surface; therefore, the study boundary was redefined. Gamma walkover scans of the site boundary and front yard identified multiple areas of elevated gamma radiation. As a result, two judgmental samples were collected. Sample results were above thorium background levels The answer to the PSQ relating to the relationship between thorium concentration in soil and NaI instrument response is Yes. NaI instrument response can be used as a predictor of Th-232 concentration in the 0 to 1 m layer. An R2 value of 0.79 was determined for the surface soil relationship, thus satisfying the DQOs. Moreover, the regression was cross-checked by comparing the predicted Th-232 soil core concentration to the average Th-232 concentration (Section 5.3.2). Based on the cross-check, the regression equation provides a reasonable estimate for the Th-232 concentration at the judgmental locations. Consideration must be given when applying this equation to other soil areas of the site. If the contamination was heterogeneously distributed, and not distributed in a discrete layer as it was in the study area, then using the regression equation to predict Th-232 concentration would not be applicable.

54 ENVIRONMENTAL SCIENCES↗

Estimation of k-ε parameters using surrogate models and jet-in-crossflow data

We demonstrate a Bayesian method that can be used to calibrate computationally expensive 3D RANS (Reynolds Av- eraged Navier Stokes) models with complex response surfaces. Such calibrations, conditioned on experimental data, can yield turbulence model parameters as probability density functions (PDF), concisely capturing the uncertainty in the parameter estimates. Methods such as Markov chain Monte Carlo (MCMC) estimate the PDF by sampling, with each sample requiring a run of the RANS model. Consequently a quick-running surrogate is used instead to the RANS simulator. The surrogate can be very difficult to design if the model's response i.e., the dependence of the calibration variable (the observable) on the parameter being estimated is complex. We show how the training data used to construct the surrogate can be employed to isolate a promising and physically realistic part of the parameter space, within which the response is well-behaved and easily modeled. We design a classifier, based on treed linear models, to model the "well-behaved region". This classifier serves as a prior in a Bayesian calibration study aimed at estimating 3 k - ε parameters ( C μ , C ε2 , C ε1 ) from experimental data of a transonic jet-in-crossflow interaction. The robustness of the calibration is investigated by checking its predictions of variables not included in the cal- ibration data. We also check the limit of applicability of the calibration by testing at off-calibration flow regimes. We find that calibration yield turbulence model parameters which predict the flowfield far better than when the nomi- nal values of the parameters are used. Substantial improvements are still obtained when we use the calibrated RANS model to predict jet-in-crossflow at Mach numbers and jet strengths quite different from those used to generate the ex- perimental (calibration) data. Thus the primary reason for poor predictive skill of RANS, when using nominal values of the turbulence model parameters, was parametric uncertainty, which was rectified by calibration. Post-calibration, the dominant contribution to model inaccuraries are due to the structural errors in RANS.

97 MATHEMATICS AND COMPUTING↗

RELAP5-3D Resolution of Known Restart/Backup Issues

The state-of-the-art nuclear reactor system safety analysis computer program developed at the Idaho National Laboratory (INL), RELAP5-3D, continues to adapt to changes in computer hardware and software and to develop to meet the ever-expanding needs of the nuclear industry. To continue at the forefront, code testing must evolve with both code and industry developments, and it must work correctly. To best ensure this, the processes of Software Verification and Validation (V&V) are applied. Verification compares coding against its documented algorithms and equations and compares its calculations against analytical solutions and the method of manufactured solutions. A form of this, sequential verification, checks code specifications against coding only when originally written then applies regression testing which compares code calculations between consecutive updates or versions on a set of test cases to check that the performance does not change. A sequential verification testing system was specially constructed for RELAP5-3D to both detect errors with extreme accuracy and cover all nuclear-plant-relevant code features. Detection is provided through a “verification file” that records double precision sums of key variables. Coverage is provided by a test suite of input decks that exercise code features and capabilities necessary to model a nuclear power plant. A matrix of test features and short-running cases that exercise them is presented. This testing system is used to test base cases (called null testing) as well as restart and backup cases. It can test RELAP5-3D performance in both standalone and coupled (through PVM to other codes) runs. Application of verification testing revealed numerous restart and backup issues in both standalone and couple modes. This document reports the resolution of these issues.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

COE Task Order 4. Final Report: Automated Threat Recognition

Lawrence Livermore National Laboratory (LLNL) was tasked by the Department of Homeland Security (DHS) Science and Technology Directorate (S&T) with developing an automated target recognition algorithm for finding objects of interest in checked baggage at airports. The project used x-ray computed tomography (CT) data collected on a medical scanner of various simulated checked bags. Target objects of interest include clay, rubber, and saline in various concentrations. The final results are 93.9% probability of detection (P D ) with 11.9% probability of false alarm (PFA) on all targets and 100% detection for pseudo target sheets. This result is achieved by using a three-stage algorithm made up of segmentation, post-processing, and feature extraction and object classification. The segmentation proved to be the most important stage and it involves merging two distinct segmentation results followed by a set of algorithms for cleaning up the merged segmentations. The first segmentation algorithm operates on planar 10x10 voxel slabs (two- dimensional segments) in the three spatial planes. The segmenter calculates a probability that each slab in the image is a part of a target, determines if the probability was above a threshold, and then merges all connected slabs together. The second segmentation algorithm is an ensemble segmenter, which generates a set of possible segmentations through random permutations and computes an average behavior. The distinct properties of these segmenters results in a merged segmentation with superior results than either segmenter alone. The merged segmentation is “cleaned up” using post processing techniques to achieve the final labeled images. The final classification stage made use of a random forest classifier algorithm to discriminate targets from non-targets based on a set of features of the segmented objects partially from the voxel slabs and partially from the individual voxels. Features include standard statistics such as mean, median, and standard deviations of the density, features capturing some aspects of texture, and some features about the surrounding bag structure. In addition to the detection and false alarm results above, we show how the algorithms can be trained to “overfit” to the limited data set provided and achieve near perfect results (P D =100% and P FA =0%). This over-training is not recommended for long-term operation, but instead is meant to demonstrate how test design is an important factor in aviation security. Possible improvements to the algorithm and the testing methodology (including blind testing) are also presented.

42 ENGINEERING↗

Continuous Security and Configuration Monitoring of HPC Clusters

Continuous security and configuration monitoring of information systems has been a time consuming and laborious task for system administrators at the High Performance Computing (HPC) center. Prior to this project, system administrators had to manually check the settings of thousands of nodes, which required a significant number of hours rendering the old process ineffective and inefficient. This paper explains the application of Splunk Enterprise, a software agent, and a reporting tool in the development of a user application interface to track and report on critical system updates and security compliance status of HPC Clusters. In conjunction with other configuration management systems, the reporting tool is to provide continuous situational awareness to system administrators of the compliance state of information systems. Our approach consisted of the development, testing, and deployment of an agent to collect any arbitrary information across a massively distributed computing center, and organize that information into a human-readable format. Using Splunk Enterprise, this raw data was then gathered into a central repository and indexed for search, analysis, and correlation. Following acquisition and accumulation, the reporting tool generated and presented actionable information by filtering the data according to command line parameters passed at run time. Preliminary data showed results for over six thousand nodes. Further research and expansion of this tool could lead to the development of a series of agents to gather and report critical system parameters. However, in order to make use of the flexibility and resourcefulness of the reporting tool the agent must conform to specifications set forth in this paper. This project has simplified the way system administrators gather, analyze, and report on the configuration and security state of HPC clusters, maintaining ongoing situational awareness. Rather than querying each cluster independently, compliance checking can be managed from one central location.

97 MATHEMATICS AND COMPUTING↗

Discovering the desirable alleles contributing to the lignocellulosic biomass traits in saccharum germplasm collections for energy cane improvement

Phenotyping Methods: The accessions (which includes 21 taxa and 1,177 accessions) in the World Collection of Sugarcane and Related Grasses (WCSRG) was evaluated for the following traits: arenchyma, internode length and diameter, pubescence, pith, Brix, stalk number and fiber. A core of 300 accessions that included each species in the World Collection was selected by using the Maximization Strategy in MStrat software. Results: The core had a higher diversity rating than random selections of 300 accessions. The Shannon–Weaver Diversity Index scores of the core and whole collection were similar indicating that the majority of the diversity was captured by the core collection. The ranges and medians between the core and WCSRG were similar; only two of the trait medians were not significant at P = 0.05 using the non-parametric Wilcoxon method and the coincidence rate (CR % = 96.2) was high (>80) indicating that extreme values were retained. Thus, the phenotypic diversity of these traits in the WCSRG was well represented by the core collection. Associations Methods: Genotypic and phenotypic data were collected for 1002 accessions of the WCSRG including 209 SSR markers. Association analysis was performed using both General Linear (GLM) and Maximum Likelihood (MLM) models. Different core collections with 300 accessions each were selected based on genotypic, phenotypic and combined data based on the Maximization Strategy in MStrat software. Results: A major portion of the genotyping involving SNPs is being conducted by Dr. Jianping Wang of the University of Florida under the DOE award DE-FG 02-11ER 65214 and the genotypic and phenotypic associations will be reported separately next year. In the current, study forty one and seventeen markers were found to be associated with traits using the GLM and MLM methods respectively including associations with arenchyma, internode length and diameter, pubescence, pith, and Sugar Cane Yellow Leaf Virus. The data indicates that each of the cores and the World Collection are similar to each other genotypically and phenotypically, but the core that was selected using only genotypic data was significantly different phenotypically. This indicates that there is not enough association between the genotypic and phenotypic diversity as to select using only genotypic diversity and get the full phenotypic diversity. Core Collection: Creation and Phenotyping Methods: To evaluate this germplasm for breeding purposes, a representative diversity panel selected from the WCSRG of approximately 300 accessions was planted at Canal Point, FL in three replications. These accessions were measured for stalk height and stalk number multiple times throughout the growing season and Brix and fresh biomass during harvest in 2013 and, stalk height, stalk number, stalk diameter, internode length, Brix and fresh and dry biomass was determined in the ratoon crop harvest in 2014. Results: In correlations of multiple measurements, there were higher correlations for early measurements of stalk number and stalk height with harvest traits like Brix and fresh weight. Hybrids had higher fresh mass and Brix while Saccharum spontaneum had higher stalk number and dry mass. The heritability of hybrid mass traits was lower in the ratoon crop. According to the principal component analysis, the diversity panel was divided into two groups. One group had accessions with high stalk number and high dry biomass like S. spontaneum and the other groups contained accessions with higher Brix and fresh biomass like S. officinarum. Mass traits correlated with each other as expected but hybrids had lower correlations between fresh and dry mass. Stalk number and the mass traits correlated with each other except in S. spontaneum and hybrids in the first ratoon. There were 110 accessions not significantly different in Brix from the commercial sugarcane checks including 10 S. spontaneum accessions. There were 27 dry and 6 fresh mass accessions significantly higher than the commercial sugarcane checks. Core Collection: Fiber analysis Methods: A biomass sample was taken from each accession then shredded and dried. Fiber analysis was then performed on each sample. The acetyl groups, acid insoluble lignin, acid soluble lignin, arabinan, glucan, holocellulose, total lignin, structural ash, and xylan were quantified on a % fiber basis and nonstructural ash on a % total basis. Results: There were significant, but not large differences between species for holocellulose, lignin, acetyl, acid soluble lignin, nonstructural ash, and glucan. For each trait, S. spontaneum had significantly more holocellulose, glucan, lignin, and nonstructural ash and less acetyl and acid soluble lignin than the other species. In all populations, glucan and was positively correlated with holocellulose were positively correlated and glucan and and holocellulose were negatively correlated with lignin. In hybrids, internode length correlated positively with holocellulose and nonstructural ash and negatively with lignin. The heritability estimates for each of the fiber component traits is low indicating that environment is an important factor in fiber composition. Principal component analysis indicated that a large amount of diversity exists within each of the species.

09 BIOMASS FUELS↗

Management Observation Facility Fume Hoods

I reviewed all the hoods used for AS&I work in buildings 253, 254, and 255. All have had the minimum annual surveys conducted and some have had semi-annual reviews. The operating parameter labels are posted consistent to the right or above right (with the only exception the perchloric acid hood in 1734- on the left) which facilitates users knowing where to check for information. All hoods with sash doors (except the SE one in 1734 have a note on the Operating Parameters label to "keep sash doors closed". Again, this was checking consistency. No surveys were missed.

61 RADIATION PROTECTION AND DOSIMETRY↗

RCT: Module 2.08, Radiological Source Control, Course 8774

radioactive source is material used for its emitted radiation. Sources are sealed or unsealed and are classified as accountable or exempt. Radioactive sources are used for response checks, functional checks, and the calibration of instruments and monitors to traceable standards. To ensure the safety and welfare of all personnel, it is important to maintain control of radioactive sources to minimize the potential for the spread of contamination, unnecessary exposure to personnel, loss or theft, and improper disposal. This course will prepare the student with the skills necessary for RCT qualification by passing quizzes, tests, and the RCT Comprehensive Phase 1, Unit 2 Examination (TEST 27566) and will provide in-the-field skills.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

User input verification and test driven development in the NJOY21 nuclear data processing code

Before physically-meaningful data can be used in nuclear simulation codes, the data must be interpreted and manipulated by a nuclear data processing code so as to extract the relevant quantities (e.g. cross sections and angular distributions). Perhaps the most popular and widely-trusted of these processing codes is NJOY, which has been developed and improved over the course of 10 major releases since its creation at Los Alamos National Laboratory in the mid-1970’s. The current phase of NJOY development is the creation of NJOY21, which will be a vast improvement from its predecessor, NJOY2016. Designed to be fast, intuitive, accessible, and capable of handling both established and modern formats of nuclear data, NJOY21 will address many issues that many NJOY users face, while remaining functional for those who prefer the existing format. Although early in its development, NJOY21 is quickly providing input validation to check user input. By providing rapid and helpful responses to users while writing input files, NJOY21 will prove to be more intuitive and easy to use than any of its predecessors. Furthermore, during its development, NJOY21 is subject to regular testing, such that its test coverage must strictly increase with the addition of any production code. This thorough testing will allow developers and NJOY users to establish confidence in NJOY21 as it gains functionality. This document serves as a discussion regarding the current state input checking and testing practices of NJOY21.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Sierra/SolidMechanics 4.48 Verification Tests Manual.

Presented in this document is a small portion of the tests that exist in the Sierra / SolidMechanics (Sierra / SM) verification test suite. Most of these tests are run nightly with the Sierra / SM code suite, and the results of the test are checked versus the correct analytical result. For each of the tests presented in this document, the test setup, a description of the analytic solution, and comparison of the Sierra / SM code results to the analytic solution is provided. Mesh convergence is also checked on a nightly basis for several of these tests. This document can be used to confirm that a given code capability is verified or referenced as a compilation of example problems. Additional example problems are provided in the Sierra / SM Example Problems Manual. Note, many other verification tests exist in the Sierra / SM test suite, but have not yet been included in this manual.

97 MATHEMATICS AND COMPUTING↗

Sierra/SolidMechanics 4.48 Verification Tests Manual.

Presented in this document is a small portion of the tests that exist in the Sierra / SolidMechanics (Sierra / SM) verification test suite. Most of these tests are run nightly with the Sierra / SM code suite, and the results of the test are checked versus the correct analytical result. For each of the tests presented in this document, the test setup, a description of the analytic solution, and comparison of the Sierra / SM code results to the analytic solution is provided. Mesh convergence is also checked on a nightly basis for several of these tests. This document can be used to confirm that a given code capability is verified or referenced as a compilation of example problems. Additional example problems are provided in the Sierra / SM Example Problems Manual. Note, many other verification tests exist in the Sierra / SM test suite, but have not yet been included in this manual.

97 MATHEMATICS AND COMPUTING↗

Sierra/SolidMechanics 4.46 Verification Tests Manual

Presented in this document is a small portion of the tests that exist in the Sierra/SolidMechanics (Sierra/SM) verification test suite. Most of these tests are run nightly with the Sierra/SM code suite, and the results of the test are checked versus the correct analytical result. For each of the tests presented in this document, the test setup, a description of the analytic solution, and comparison of the Sierra/SM code results to the analytic solution is provided. Mesh convergence is also checked on a nightly basis for several of these tests. This document can be used to confirm that a given code capability is verified or referenced as a compilation of example problems. Additional example problems are provided in the Sierra/SM Example Problems Manual. Note, many other verification tests exist in the Sierra/SM test suite, but have not yet been included in this manual.

42 ENGINEERING↗

Difference distributions applicable to certain health physic's measurements

This paper discusses calculational methods for the determination of the difference distributions associated with certain health physics measurements. These measurements include the check source response counts relative to an initial reference count, the Albatross (i.e., HPI model 2080B) neutron tube counts relative to the gamma tube counts, and those that involve the use of the automatic background subtraction feature within portable health physics instrumentation. This paper therefore provides a technical basis for the necessary source strength of a check source in order to meet daily limits, the gamma field limitations of the HPI2080 Albatross, as well as the consequences of automatic background subtraction. Examples are provided that illustrate the methods for a few specific measurements.

61 RADIATION PROTECTION AND DOSIMETRY↗

Thermal Testing Quality Assurance of 24LCC & 3LCC Electronic Packages

The purpose of this project is to experimentally validate the thermal fatigue life of solder interconnects for a variety of surface mount electronic packages. Over the years, there has been a significant amount of research and analysis in the fracture of solder joints on printed circuit boards. Solder is important in the mechanical and electronic functionality of the component. It is important throughout the life of the product that the solder remains crack and fracture free. The specific type of solder used in this experiment is a 63Sn37Pb eutectic alloy. Each package was manufactured with conformal coating along with and without an underfill material below the device. Conformal coating helps protect the board from environments such as electrostatic discharge and humidity. It is commonly used in broad types of engineering disciplines such as commercial, military, research and development, etc. Conformal coating can also pose a risk for the life of the board because of its high thermal expansion coefficient. This can greatly decrease the life of the product if it regularly sees high temperature variations. This leads to a shorter fatigue life of the solder. The fatigue life is a common mechanical problem in the field of electronic devices. Adding underfill can help increase the fatigue life of the solder. However, applying underfill adds time to manufacturing and production. This ultimately increases the cost per unit. The study of conformal coated printed circuit boards with and without underfill was done on two different surface mount electronic packages. The electronic packages studied were 24 and 3 contact Leadless Ceramic Chips packages. When the package was not underfilled, the coating was allowed to flow underneath. The assembly was analyzed and tested to obtain the best available combination of conformal coating, underfill, and potting to design the most robust and reliable circuit board while keeping in mind certain factors such as cost, manufacturing time, and need. Different types of conformal coatings were considered with and without underfill for each device. 29 of each component were manufactured to have a large sample size and for the sake of individual defects and imperfections. Finite Element Analysis (FEA) was performed by an engineer at Sandia National Laboratories for both Leadless Ceramic Chips. From the FEA results, a test acceleration profile was derived and the number of temperature cycles to fail the solder interconnects were found for three different cases. Experimentation was done as a secondary measure to validate this data to show confidence in the theoretical analysis. Accelerated testing functions as a quality check for the product. Accelerated testing is extremely useful in the research and development phase of engineering. It can save money from the potential of early life defects and the costs that come along with warranties. Accelerated testing makes a weaker design more robust and checks the reliability of a strong design in a shorter period of time. It is extremely helpful in a world where deliverables are in high demand and scheduling is tight. Accelerated testing helps the engineer gain an understanding of what needs to be improved and what works well. There are many different types of accelerated tests. Our circuit boards were accelerated inside a closed thermal chamber because of the high number of use cycles. The ultimate goal of this experimentation is to help identify what will prevent any premature cracking or fracturing in the solder alloy. It is important to understand that underfilling each component may or may not be needed. If underfill is not needed, there are several production benefits.

42 ENGINEERING↗

Sierra/SolidMechanics 4.54 Verification Tests Manual

Presented in this document is a small portion of the tests that exist in the Sierra/SolidMechanics (Sierra/SM) verification test suite. Most of these tests are run nightly with the Sierra/SM code suite, and the results of the test are checked versus the correct analytical result. For each of the tests presented in this document, the test setup, a description of the analytic solution, and comparison of the Sierra/SM code results to the analytic solution is provided. Mesh convergence is also checked on a nightly basis for several of these tests. This document can be used to confirm that a given code capability is verified or referenced as a compilation of example problems. Additional example problems are provided in the Sierra/SM Example Problems Manual. Note, many other verification tests exist in the Sierra/SM test suite, but have not yet been included in this manual.

97 MATHEMATICS AND COMPUTING↗

Sierra/SolidMechanics 4.56 Verification Tests Manual

Presented in this document is a small portion of the tests that exist in the Sierra / SolidMechanics (Sierra / SM) verication test suite. Most of these tests are run nightly with the Sierra / SM code suite, and the results of the test are checked versus the correct analytical result. For each of the tests presented in this document, the test setup, a description of the analytic solution, and comparison of the Sierra / SM code results to the analytic solution is provided. Mesh convergence is also checked on a nightly basis for several of these tests. This document can be used to conrm that a given code capability is veried or referenced as a compilation of example problems. Additional example problems are provided in the Sierra / SM Example Problems Manual. Note, many other verication tests exist in the Sierra / SM test suite, but have not yet been included in this manual.

97 MATHEMATICS AND COMPUTING↗