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The mathematical modeling of systems often requires the use of both nonlinear and discrete components. Problems involving both discrete and nonlinear components are known as mixed-integer nonlinear programs (MINLPs) and are among the most challenging computational optimization problems. This research project added to the understanding of this area by making a number of fundamental advances. First, the work demonstrated many novel, strong, tractable relaxations designed to deal with non-convexities arising in mathematical formulation. Second, the research implemented the ideas in software that is available to the public. Finally, the work demonstrated the importance of these ideas on practical applications and disseminated the work through scholarly journals, survey publications, and conference presentations.

This report describes the modeling of a PWR fuel assembly under dynamic shock loading in support of the Sandia National Laboratories (SNL) shaker test campaign. The focus of the test campaign is on evaluating the response of used fuel to shock and vibration loads that a can occur during highway transport. Modeling began in 2012 using an LS-DYNA fuel assembly model that was first created for modeling impact scenarios. SNL’s proposed test scenario was simulated through analysis and the calculated results helped guide the instrumentation and other aspects of the testing. During FY 2013, the fuel assembly model was refined to better represent the test surrogate. Analysis of the proposed loads suggested the frequency band needed to be lowered to attempt to excite the lower natural frequencies of the fuel assembly. Despite SNL’s expansion of lower frequency components in their five shock realizations, pretest predictions suggested a very mild dynamic response to the test loading. After testing was completed, one specific shock case was modeled, using recorded accelerometer data to excite the model. Direct comparison of predicted strain in the cladding was made to the recorded strain gauge data. The magnitude of both sets of strain (calculated and recorded) are …

Oxy-fuel combustion has been used previously in a wide range of industrial applications. Oxy- combustion is carried out by burning a hydrocarbon fuel with oxygen instead of air. Flames burning in this configuration achieve higher flame temperatures which present opportunities for significant efficiency improvements and direct capture of CO{sub 2} from the exhaust stream. In an effort to better understand and characterize the fundamental flame characteristics of oxy-fuel combustion this research presents the experimental measurements of flame stability of various oxyfuel flames. Effects of H{sub 2} concentration, fuel composition, exhaust gas recirculation ratio, firing inputs, and burner diameters on the flame stability of these fuels are discussed. Effects of exhaust gas recirculation i.e. CO{sub 2} and H{sub 2}O (steam) acting as diluents on burner operability are also presented. The roles of firing input on flame stability are then analyzed. For this study it was observed that many oxy-flames did not stabilize without exhaust gas recirculation due to their higher burning velocities. In addition, the stability regime of all compositions was observed to decrease as the burner diameter increased. A flashback model is also presented, using the critical velocity gradient g{sub F}) values for CH{sub 4}-O{sub 2}-CO{sub 2} flames. The scaling …

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This quarterly report summarizes the status for the project planning to complete all the legal and contract documents required for establishing the subcontracts needed and a Cooperative Research and Development Agreement (CRADA) with Autodesk, Inc., Toyota Motor Engineering and Manufacturing North America (Toyota), and Magna Exterior and Interiors Corporation (Magna). During the second quarter (1/1/2013 to 3/31/2013), all the technical and legal documents for the subcontracts to Purdue University, University of Illinois, and PlastiComp, Inc. were completed. The revised CRADA documents were sent to DOE, Autodesk, Toyota, and Magna for technical and legal reviews. PNNL Legal Services contacted project partners’ Legal counterparts for completing legal documents for the project. A non-disclosure agreement was revised and sent to all the parties for reviews.

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This report describes the results of the electrochemical testing performed on tank 241-SY-102 (SY-102) grab samples that were collected in support of corrosion mitigation. The objective of the work presented here was to determine corrosion resistance of tank SY-102 to the grab samples collected using electrochemical methods up to 50°C as well as to satisfy data quality objectives. Grab samples were collected at multiple elevations from Riser 003. The electrochemical corrosion testing was planned to consist of linear polarization resistance testing (LPR) and cyclic potentiodynamic polarization (CPP) testing at 50°C. The temperature would be lowered to 40 °C and the test repeated if the CPP curve indicated pitting corrosion at 50°C. Ifno pitting was indicated by the CPP curve, then a duplicate scan would be repeated at 50°C to confirm the first result. The testing would be complete if the duplicate CPP scan was consistent with the first. This report contains the CPP results of the testing of grab sample 2SY-12-03 and 2SY-12-03DUP composite sample tested under these conditions. There was no indication of pitting at 50°C, and the duplicate scan was in agreement with the first scan. Since no further testing was required, a third scan with a shorter …

The Cooperative Research Network (CRN) of the National Rural Electric Cooperative Association (NRECA) has identified GridLAB-D as a tool that would provide significant benefit to its member utilities. However, they have also noted that the complexity of the tool would be a significant barrier for adoption. As can often happen in complex simulation environments, as the available capabilities and flexibility increases, the usability of the software decreases except for a few “power” users; this is not unique to GridLAB-D. While GridLAB-D has expanded to a considerable user base, with a few notable exceptions (e.g., American Electric Power) most users are focused on research and development. As a result, NRECA/CRN has proposed an Open Modeling Framework (OMF) designed to make the capabilities of GridLAB-D, and other advanced grid tools, available via a web interface. This will allow utility users to access many of the capabilities of GridLAB-D, with little to no knowledge of the tool itself. Other components will be layered over the simulation engines to provide the user with business support functions, allowing full business case scenarios to be created from the technical data generated within the simulations. Because of the open availability and potential national benefit of the OMF, …

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Electrochemical coupon testing were performed on 6 Hanford tank solution simulants and corresponding condensate simulants to evaluate the susceptibility of vapor space and liquid/air interface corrosion. Additionally, partial-immersion coupon testing were performed on the 6 tank solution simulants to compliment the accelerated electrochemical testing. Overall, the testing suggests that the SY-102 high nitrate solution is the most aggressive of the six solution simulants evaluated. Alternatively, the most passive solution, based on both electrochemical testing and coupon testing, was AY-102 solution. The presence of ammonium nitrate in the simulants at the lowest concentration tested (0.001 M) had no significant effect. At higher concentrations (0.5 M), ammonium nitrate appears to deter localized corrosion, suggesting a beneficial effect of the presence of the ammonium ion. The results of this research suggest that there is a threshold concentration of ammonium ions leading to inhibition of corrosion, thereby suggesting the need for further experimentation to identify the threshold.

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Ion induced beam instability is one critical issue for the electron damping ring of the International Linear Collider (ILC) due to its ultra small emittance of 2 pm. The beam ion instability with various beam filling patterns for the latest lattice DTC02 is studied using PIC code. The code has been benchmarked with SPEAR3 experimental data and there is a good agreement between the simulation and observations. It uses the optics from MAD and can handle arbitrary beam filling pattern and vacuum. Different from previous studies, multi-gas species and exact beam filling patterns have been modeled simultaneously in the study. This feature makes the study more realistic. Analyses have been done to compare with the simulations.

Destructive and non-destructive examinations have been performed on specified components of shipping package 9975-03431. For those attributes that were also measured during the field surveillance, no significant changes were observed. All observations and test results met identified criteria, or were collected for information and trending purposes. Except for modest corrosion of the lead shield (which is typical of these packages following several years service), no evidence of a degraded condition was found in this package. The Savannah River Site (SRS) stores packages containing plutonium (Pu) materials in the KArea Complex (KAC). The Pu materials are packaged per the DOE 3013 Standard and stored within Model 9975 shipping packages in KAC. The KAC facility DSA (Document Safety Analysis) credits the Model 9975 package to perform several safety functions, including criticality prevention, impact resistance, containment, and fire resistance to ensure the plutonium materials remain in a safe configuration during normal and accident conditions. The Model 9975 package is expected to perform its safety function for at least 12 years from initial packaging. The DSA recognizes the degradation potential for the materials of package construction over time in the KAC storage environment and requires an assessment of materials performance to validate the assumptions …

Experiments show that inter-granular and intra-granular gas bubbles have different growth kinetics which results in heterogeneous gas bubble microstructures in irradiated nuclear fuels. A science-based model predicting the heterogeneous microstructure evolution kinetics is desired, which enables one to study the effect of thermodynamic and kinetic properties of the system on gas bubble microstructure evolution kinetics and morphology, improve the understanding of the formation mechanisms of heterogeneous gas bubble microstructure, and provide the microstructure to macroscale approaches to study their impact on thermo-mechanical properties such as thermo-conductivity, gas release, volume swelling, and cracking. In our previous report 'Mesoscale Benchmark Demonstration, Problem 1: Mesoscale Simulations of Intra-granular Fission Gas Bubbles in UO2 under Post-irradiation Thermal Annealing', we developed a phase-field model to simulate the intra-granular gas bubble evolution in a single crystal during post-irradiation thermal annealing. In this work, we enhanced the model by incorporating thermodynamic and kinetic properties at grain boundaries, which can be obtained from atomistic simulations, to simulate fission gas bubble growth kinetics in polycrystalline UO2 fuels. The model takes into account of gas atom and vacancy diffusion, vacancy trapping and emission at defects, gas atom absorption and resolution at gas bubbles, internal pressure in gas bubbles, elastic interaction …

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The purpose of this study was to: (1) identify the more dominant design parameters that can serve as the quantitative measure of how prototypic a given melter is, (2) run the existing DWPF models to simulate the data collected using both DWPF and non-DWPF melter configurations, (3) confirm the validity of the selected design parameters by determining if the agreement between the model predictions and data is reasonably good in light of the design and operating conditions employed in each data set, and (4) run Computational Fluid Dynamics (CFD) simulations to gain new insights into how fluid mixing is affected by the configuration of melter internals and to further apply the new insights to explaining, for example, why the agreement is not good.

Prior to 2008, transfers of radioactive material within the Savannah River Site (SRS) boundary, referred to as onsite transfers, were authorized by Transportation Safety Basis (TSB) documents that only required approval by the SRS contractor. This practice was in accordance with the existing SRS Transportation Safety Document (TSD). In 2008 the Department of Energy Savannah River Field Office (DOE-SR) requested that the SRS TSD be revised to require DOE-SR approval of all Transportation Safety Basis (TSB) documents. As a result, the primary SRS contractor embarked on a multi-year campaign to consolidate old or generate new TSB documents and obtain DOE-SR approval for each. This paper focuses on the challenges incurred during the rewriting or writing of and obtaining DOE-SR approval of all Savannah River Site Onsite Transportation Safety Basis documents.

A low emittance upgrade is planned for SPEAR3. As the first phase, the emittance is reduced from 10nm to 7nm without additional magnets. A further upgrade with even lower emittance will require a damping wiggler. There is a smaller dynamic aperture for the lower emittance optics due to a stronger nonlinearity. Elegant based Multi-Objective Genetic Algorithm (MOGA) is used to maximize the dynamic aperture. Both the dynamic aperture and beam lifetime are optimized simultaneously. Various configurations of the sextupole magnets have been studied in order to find the best configuration. The betatron tune also can be optimized to minimize resonance effects. The optimized dynamic aperture increases more than 15% from the nominal case and the lifetime increases from 14 hours to 17 hours. It is important that the increase of the dynamic aperture is mainly in the beam injection direction. Therefore the injection efficiency will benefit from this improvement.

The PNNL lab homes (http://labhomes.pnnl.gov/ ) are two manufactured homes recently installed immediately south of the 6th Street Warehouse on the PNNL Richland, WA campus that will serve as a project test bed for DOE, PNNL and its research partners who aim to achieve highly energy efficient and grid-responsive homes. The PNNL Lab Homes project is the first of its kind in the Pacific Northwest region. The Energy & Environment Directorate at PNNL, working with multiple sponsors, will use the identical 1,500 square-foot homes for experiments focused on reducing energy use and peak demand. Research and demonstration primarily will focus on retrofit technologies, and the homes will offer a unique, side-by-side ability to test and compare new ideas and approaches that are applicable to site-built as well as manufactured homes. The test plan has the following objectives: • To define a retrofit solution packages for moderate to cold climates that can be cost effectively deployed in the Pacific NW to save 50% of the energy needs of a typical home while enhancing the comfort and indoor air quality. The retrofit strategies would also lower the peak demands on the grid. • To leverage the unique opportunity in the lab homes …