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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 595 records · Page 33

Clad to coolant heat transfer during RIA in PWR conditions

The power pulse during an insertion of reactivity accident (RIA) leads to a transient heating of the fuel. Heat transfer toward the coolant through the clad and associated temperature transient of the clad is of safety significance since it may largely impact the risk of clad failure. For sufficiently large enthalpy deposited within the fuel, clad temperature increases rapidly and this can lead to coolant boiling. This paper concerns the critical review of the present understanding and of the models for the clad to coolant heat transfer in RIA for PWR conditions. The results of past experiments are reviewed and the reliability of current models dedicated to these conditions is analyzed. It appears that the use of classical models for wall to fluid heat transfer does not allow predicting the clad temperature transient as measured in RIA-related experiments. The deviation is all the more large when film boiling conditions are reached. To reproduce the experimental data, some correlations of heat transfer can be fitted but the reliability of such model out of the range of conditions of the experimental data is low. It is mainly due to a rather low level of understanding of the heat transfer in very transient conditions (i.e. when the time scale of variation of the main heat transfer parameters, like a wall temperature, is less than the typical internal time scale of the heat transfer process itself). It results in a very large scattering in the numerical simulation of clad temperature when several fuel codes are considered. To improve the reliability of these calculations, it is believed that the study of transient boiling heat transfer thanks to devoted experimental facilities is required.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Flow Rate Dependency of Permeability Changes with the Deposition of CSH under the Highly Alkaline Ca-rich Condition - 17175

The formation of calcium silicate hydrate (CSH) around the geological repository is one of the notable factors for the assessment of the radionuclide migration. This study discussed the clogging effect of CSH in flow path with the change in the flow rate based on the flow experiments using micro flow cell. In the experiment, the change of the permeability with the alteration of granite under the highly alkaline and Ca-rich condition was examined. As a result, the permeability in flow path gradually decreased with the periodical increase and decrease of the permeability. In addition, under the condition of the lower flow rate (0.06 ml/h), the permeability became much smaller than those for other conditions of the higher flow rates. These suggest that the clogging of flow path will progress with the local deposition/moving of CSH, in particular, under the condition of the lower flow rate. Retardation effect of radionuclide migration will be expected because it is prospected that flow rate of groundwater is lower than that of this study in the actual condition of repository. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The Effect of Bicarbonate on Autunite Dissolution in the Presence of Shewanella oneidensis under Oxygen Restricted Conditions - 16429

Uranium is a key contaminant at many U.S. Department of Energy sites that served a leading role in the nation's defense for over 50 years. Uranium contamination of soil and groundwater is of great environmental concern due to the toxicological properties of the uranyl species. In an effort to decrease the concentration of soluble uranium, tripolyphosphate injections were identified as a feasible remediation strategy for sequestering uranium in situ in contaminated groundwater at the Hanford Site (WA). The introduction of sodium tripolyphosphate into uranium-bearing porous media results in the formation of uranyl phosphate minerals (autunite) of general formula (X{sub 1-2}[(UO{sub 2})(PO{sub 4})]{sub 2-1}.nH{sub 2}O), where X is a monovalent or divalent cation. The stability of the uranyl phosphate minerals in the subsurface is a critical factor since it determines the long-term effectiveness of the sodium tripolyphosphate injection as a remediation strategy. The behavior of uranium and its mobility in the subsurface are affected by various factors such as the chemistry of pore water, groundwater and soil minerals, the presence of complex-forming ligands, and micro-organisms that thrive under these conditions. Bicarbonate presence in the aqueous phase facilitates uranium desorption from soil and sediments and promotes the release of U(VI) into the aqueous phase, thus increasing uranium mobility in natural waters. In neutral or basic pH conditions, uranium can readily complex with a wide variety of ligands such as carbonate and form soluble uranyl-carbonato complexes such as UO{sub 2}(CO{sub 3}){sub 2}{sup 2-} and UO{sub 2}(CO{sub 3}){sub 3}{sup 4-}. Bicarbonate complexes have been identified in contaminated pore water at the Hanford Site. Furthermore, the presence of bacteria can significantly affect uranium mobility since bacteria may bio-enhance the release of U (VI) from uranyl-phosphate minerals, thus liberating uranium in the aqueous phase in an effort to obtain phosphorous, a vital nutrient for their metabolism. The Columbia River at the site exhibits large stage variations, causing fluctuations in the water table. These water table fluctuations and multiple rise-and-fall cycles in the river created an oxic-anoxic interface in this region. Previous assessments of Hanford sediment samples collected from this area noted a decline in cultivable aerobic bacteria and suggested the presence of facultative anaerobic bacteria. Shewanella oneidensis MR1 is a common bacterial group in soils and Shewanella species have been found in the Hanford soil. Shewanella oneidensis is a facultative anaerobic species which also belongs to a group known as dissimilatory metal-reducing bacteria (DMRB), due to their ability to reduce metals as a part of their metabolic pathway. Therefore, understanding the role of Shewanella is a critical factor affecting the outcome of environmental remediation. The objective of this research was to demonstrate the significance of bacteria-uranium interactions and investigate the effect of bicarbonate in the aqueous phase on Ca-autunite dissolution in the oxygen-restricted conditions. Sterile 100-mL glass mixed bioreactors with weighed amounts of ground Ca-autunite particles were used for initial experimentation. These autunite-containing bioreactors were injected with bacterial cells after the autunite equilibrated with the media solution amended with 0 mM, 3 mM 5 mM and 10 mM concentrations of bicarbonate. Additional abiotic samples were prepared without bacterial inoculation to provide a control for the biotic samples. The concentration of U(VI) determined in the aqueous phase was in direct correlation to the concentration of bicarbonate present in the solution. It was noted that an increase in bicarbonate concentration led to higher U(VI) concentration in the aqueous phase. A sharp decrease in U(VI) concentration was observed in the bicarbonate-free samples, probably due to a microbe mediated reduction of U(VI) to U(IV). In the case of samples amended with 3 mM bicarbonate, a slight, yet significant, decrease in U(VI) was also observed compared to the abiotic control. However, compared to the abiotic controls, there was no change in U(VI) levels in the aqueous phase as a result of bacterial inoculation for the samples amended with 5 and 10 mM bicarbonate for a period of time as long as 50 days. These results imply that the uranyl-carbonate complexes (UO{sub 2}(CO{sub 3}){sub 2}{sup 2-} and UO{sub 2}(CO{sub 3}){sub 3}{sup 4-}) that are present in carbonate-rich environments might be interfering with the microbial reduction in the oxygen- restricted conditions; however, this conclusion requires further investigation. Finally, the data indicate that release of U, P and Ca from autunite was non-stoichiometric. In conclusion, the high stability of uranyl-phosphate complexes makes them a strong candidate for the remediation efforts to sequester uranium in the subsurface. Nevertheless, in a bicarbonate-rich environment, Ca-autunite has a high probability of dissolution and the presence of metal-reducing bacteria does not seem to impede this process in the presence of higher bicarbonate concentrations under oxygen restricted conditions. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Conditioning and Requalification of Legacy Waste Packages - 18648

In most German interim storage facilities, hundreds of waste packages are waiting for re-conditioning and qualification to comply with the waste acceptance criteria (WAC) for the Konrad repository. Especially the waste classification as well as some characteristics and the description of the material composition in its current state do not comply with the Konrad requirements since the conditioning of these waste packages took place up to 40 years ago. The German name for these waste packages is 'Altgebinde', hereafter referred to as 'legacy waste packages'. The present article will provide an overview of the measures for the qualification of these legacy waste packages to fulfill the Konrad requirements. The following measures, when necessary, are carried out for the qualification of legacy waste packages: - Collection and evaluation of all documents related to the primary conditioning process, e. g. the used equipment, documented waste and packaging properties, conditioning and radiology, if available (hereafter 'old documents'). - Preparation of a conceptual report and a process control quality plan based on existing data, with appropriate measures to qualify the waste packages. Assessment and approval of the process control quality plan by the competent authority. - Characterization of the waste and packaging properties by visual inspection or tomography, recording or updating of dose rate, contamination and mass, verification of product stability, for example by gas analysis of the interior atmosphere of the container. - Characterization of the nuclide inventory by gammas scans, sample taking to analyze nuclides which can not be measured by means of in-situ gamma spectrometry, and for material declaration. - Qualification or post-conditioning of the legacy waste packages if necessary, e. g. by drying the waste packages and packaging them in containers approved for disposal. - Compilation of all results of the above mentioned tests and steps to create a waste package documentation, including the calculations for the nuclide inventory and the description of the material composition of the waste packages. - Receiving approval by the competent authority after evaluation of the final documentation. The aim behind this structured approach is to prevent additional, unnecessary measures and treatment of the waste. Consequently, the additional characterization is preferably carried out on the basis of the available documents. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Control of Radioactive Methyl Iodide Gases by Mesoporous Hybrid Adsorbents at High Humid Condition - 19329

During the operation of nuclear facility as well as decommissioning stage, various radioactive gaseous wastes are generated. It is generally recognized that radioiodine is potentially one of the most hazardous gas on the human body and environment. Iodine-131 release in the gaseous effluents at the nuclear facilities had been a critical environmental concern. Reducing iodine release is a critical issue in radioactive waste system evaluation, especially in their adherence to the 'as low as reasonably achievable' (ALARA) criteria because radioiodine among these gaseous wastes has radiological harm. Therefore, numerous studies for the removal of radioiodine from the off-gas stream of nuclear facilities have been performed with formation processes and chemical structure. There has been some concern regarding the use of TEDA-impregnated activated carbon as an adsorbent for radioiodine removal, because of the low ignition point of TEDA and the possible release of TEDA from the charcoal in continuously flowing air streams. Therefore, the TEDA-impregnated activated carbon cannot use to trap radioiodine generated from high humid condition, due to the rapid drop of the removal efficiency. It is obvious that high humid can be expected during design basis event such as loss-of-coolant accident (LOCA). Therefore, investigation on the retention of organic radioiodine (CH3I131) by various activated carbons at high humid condition has extensively been performed so far. But there are no good results on the adsorption of methyl iodide at high humid condition up to now. As a result, the promising approach to the problem of iodine removal under high humid conditions is to use organic-inorganic hybrid adsorbents in which are enough retention characteristics from hydrophobic property. In order to develop the best removal efficiency for the control of radioiodine gas generated from a high humid process, a hydrophobic adsorbents was developed and the performance test of adsorbent using radioactive methyl iodide tracer was also performed. Demonstration test of adsorbent using radioactive methyl iodide tracer was performed at high humid conditions up to 97% relative humidity. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Performance Evaluation of AG-1 FC Filters Under Upset Conditions and the Effects of Aging on Filters - 19501

High efficiency particulate air (HEPA) filters are routinely used in nearly every operating Department of Energy (DOE) and National Nuclear Safety Administration (NNSA) nuclear facility. These nuclear grade HEPA filters installed in DOE and NNSA confinement ventilation systems are credited as the final barrier to protect the environment, the public, and the worker from accidental release of virtually all airborne radioactive materials, and must meet the American Society of Mechanical Engineers' (ASME) Code on Nuclear Air and Gas Treatment (CONAGT) AG-1 standard. This testing activity evaluates ASME AG-1 Section FC axial flow HEPA filters, both separator and separator-less, under upset conditions. Additionally, testing efforts have analyzed the effects of filter degradation due to aging. In 1997, the Defense Nuclear Facilities Safety Board (DNFSB) raised concerns of the potential vulnerability of HEPA filters in vital safety systems, both from a design stand point and the potential for degradation of HEPA filter performance over time. The DOE Office of Environmental Management (DOE-EM) has a Cooperative Agreement with Mississippi State University (MSU) Institute for Clean Energy Technology (ICET) to conduct testing of HEPA filters. DOE-EM has established a Technical Working Group (TWG) of over thirty subject matter experts from the nuclear industry to provide input and oversight of ICET projects and activities. This has included establishment/approval of testing parameters for evaluating these filters under ASME NQA-1 compliant Test Plans. The current scope of work involves evaluation of the performance envelope for new and aged separator and separator-less designs of AG-1 Section FC axial flow HEPA filters. A range of elevated test conditions (T and RH) are used to determine the operating envelope within which DOE nuclear safety experts can credit installed HEPA filter performance, thereby establishing a risk-informed DOE service life. This paper will present preliminary test results of new and aged axial flow filters tested at ICET. Results in this paper include data collected from new separator and separator-less type FC HEPA filters and equivalent test data for a limited group of aged separator and separator-less type FC HEPA filters. Testing for both scopes of work evaluate initial filter performance under ambient conditions of temperature (60 deg. F - 80 deg. F (∼16 - ∼27 deg. C)) and relative humidity (40-60%), loading of each filter with Aluminum Trihydroxide, Al(OH)3, to a specified differential pressure, and then exposing the filter to specified elevated temperature and relative humidity conditions. In addition to the upset conditions of elevated temperature and relative humidity, the performance of HEPA filters under fire scenarios is not well characterized. ICET is currently designing a burn box and testing apparatus to study the effects of fire from burning liquids and a wide range of blends of combustible solids. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Augmented Monitoring and Condition Assessment Program for SNF Wet Storage Life Extension - 20489

Approximately 27 MTHM of spent nuclear fuel (SNF) owned and managed by the U.S. Department of Energy, Office of Environmental Management is stored in the L Basin at the Savannah River Site (SRS). This 'DOE SNF' is comprised of approximately 12,000 aluminum-clad, aluminum-based fuel assemblies (∼7 MTHM), and approximately 2000 non-aluminum fuel assemblies (∼20 MTHM). A program is in progress to perform Non-Destructive Examination (NDE) of the fuel and their storage containers to characterize the materials' condition, and to evaluate the effects of service to enable continued safe wet storage of the SNF. The Augmented Monitoring and Condition Assessment Program (AMCAP), a two-part program to develop and implement remote underwater Non-Destructive Examination of the aluminum SNF, and of the containers of the non-aluminum SNF, respectively, is aimed at the characterization and evaluation of corrosion degradation of aluminum fuel and container materials. The predominant design of the aluminum SNF (ASNF) stored in L Basin is the Materials Test Reactor (MTR) equivalent design, a plate fuel design. These SNF are stored in 5'' diameter tubes or 5'' x 5'' squares (called bundles) that are nominally 12' or up to 14' long. The SNF is de-bundled and inspected using a custom-designed MTR Fuel Inspection Table. The inspection table provides for indexed fuel positioning for a video camera examination with controlled lighting. A total of 10 of the SNF originating from foreign research and test reactors were selected for examination based on burnup, enrichment, and prior damage caused by service/storage history. A special inspection campaign of these 10 assemblies is in progress. The observed corrosion damage included minor to moderate attack from general corrosion, pitting, crevice, end grain and galvanic corrosion. Example results from the completed inspections are shown and discussed. The focus is a comparison of the as-received condition versus the as-found current storage condition that will serve to validate Water Chemistry and Corrosion Monitoring Programs. The non-aluminum SNF (NASNF) stored in L Basin are of diverse design that includes various geometries with claddings of stainless steel, Zircaloy, and Hastelloy. The fuel core materials include uranium alloys, oxides/mixed oxides, and carbides. These SNF materials, originating from early experimental and test reactors, are in various physical forms including single fuel elements and cut pieces. The fuel is stored in L Basin in various configurations including in direct bundled storage in aluminum tubes and in isolation cans that are in the bundles or in a larger over-size storage container (OSC). Concern with inside-out corrosion and the potential loss of configuration control and ability to handle the storage containers prompted the development of remote NDE methods that include visual and UT technologies to assess the condition of the containers. Candidate stored materials were selected for a special inspection campaign; the development of the NDE methods for the inspection for galvanic, crevice and sediment-induced corrosion (inside-out) are discussed. A summary of the SNF storage in L Basin at the SRS, and an overview of the AMCAP to enable continued safe storage of DOE SNF are described. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Development and implementation of an in-situ cable condition monitoring method for nuclear power plants - 130

The sustainability of the existing fleet of nuclear power reactors depends on utilities' ability to manage the aging of key components that cannot easily or economically be replaced or upgraded. Cables, metals, and concrete structures are among the major and key components that the industry and government are working on to ensure the long term reliability and safety of nuclear plants. To ensure that these key components continue to meet their performance requirements, new testing and condition monitoring technologies must be developed that are capable of identifying and quantifying degradation in these materials. The work presented in this paper focuses on the development and implementation of an in-situ condition monitoring method for nuclear power plant cables. This cable condition monitoring method is based on the frequency domain reflectometry (FDR) technique, which is a non-destructive in-situ electrical test that uses the principle of transmission line theory to locate and quantify impedance changes in a cable circuit. Through extensive research, development, and validation, the FDR test technique has been adapted as a cable condition monitoring method that trends with increasing cable degradation. In addition, the FDR data has been correlated to the industry standard elongation at break (EAB) test to quantify the degree of localized degradation in nuclear plant cable insulation material caused by long term exposure to high temperatures and radiation. By correlating FDR to EAB, the aging condition of cables routed through harsh environments can be better understood in relation to its ability to perform its intended function. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Characteristics Analysis of SGTR accidents under the Shutdown Conditions

The Steam Generator Tube Rupture (SGTR) accident is one of design basis accidents that could result in undesirable radiation release as it bypasses the containment. According to Ref. [1], SGTRs have been experienced in several nuclear power plants and Ulchin 4 of Korea is one of them. Basically, SGTR analysis assumes that it occurs at full power, the SGTR at Ulchin 4 in 2002, was in the shutdown condition. Therefore, the transient behavior was different from the cases in full power conditions and especially, the effectiveness of Emergency Operating Procedure (EOP) needs to be checked if it is also applicable to the shutdown conditions, because EOP is prepared for full power conditions. In this paper, we set up a MARS-KS code model for Ulchin 4 unit and simulated the SGTR accident for benchmarking the model to the actual plant behavior during the accident. And then, several case studies were done to investigate the consequence of SGTR and the effectiveness of the EOP, focusing on the amount of the primary to secondary discharge flow which was influenced by operator actions. At the end, we'll discuss about the EOP for the shutdown conditions. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

MECHANISTIC MULTIPHYSICS MODELING OF CLADDING RUPTURE IN NUCLEAR FUEL RODS DURING LOSS-OF-COOLANT ACCIDENT CONDITIONS

The Loss of Coolant Accident (LOCA) is a design basis accident that is included as part of the safety analysis of nuclear power plants. As the nuclear industry desires to increase the cycle length and discharge burnup of existing nuclear power plants they must demonstrate safe operation during a LOCA on high burnup fuel. During a LOCA transient on high burnup fuel rods, the rods may undergo a process known as fuel fragmentation, relocation, and dispersal (FFRD). To permit dispersal, the cladding encapsulating the fuel must rupture with an opening size large enough to allow the fragmented fuel particles to release. Current licensing tools used by industry and the United States Nuclear Regulatory Commission are limited in geometric fidelity and materials that can be analyzed. These simulation tools generally employ a quasi-two-dimensional (1.5D or Layered1D) or 2D-RZ axisymmetric geometric representations exclusively. While a valid approach under some instances, there are times when important physics have an asymmetric behavior in the fuel rod. Examples include fuel fragmentation, thermal-hydraulic boundary conditions, and cladding rupture, all of which are important for LOCA analysis. As industry pursues burnup extensions it must be demonstrated that fuel dispersal can be mitigated or eliminated. To do this, an understanding of the rupture opening after cladding failure is required. This work presents the development of a model for predicting the size and location of the rupture opening in failed fuel rods during LOCA conditions using advanced modeling and simulation tools. In order to supply the rupture model with appropriate boundary conditions, improvements to fuel fragmentation, axial relocation and oxidation modeling were required. First, the eXtended Finite Element Method (XFEM) is used to mechanistically predict the number of fuel fragments that form due to material strength randomization, criteria for strength randomization, mesh density, power ramping rates and irradiation effects. These predictions with associated uncertainty were compared to empirical correlations developed for UO2 verifying that they can be used with increased confidence in subsequent axial relocation analyses. Secondly, a new first-of-its-kind Layered2D computational framework was developed that provides the ability to apply azimuthally varying boundary conditions while providing discrete layers to track fuel movement during the LOCA. An existing fuel axial relocation model developed for Layered1D was extended to work within the Layered2D framework. A large sensitivity study was performed on the initial version of the model to identify modeling parameters of particular importance, with the emissivity used for radiation after blowdown being the primary source of uncertainty. Then, a simplistic approach to incorporate mechanical degradation of the cladding due to oxidation was also developed to investigate the impact of reduced cladding thickness on predictions of the time to failure of cladding tubes. It was found that the cladding will typically rupture prior to a reduction in thickness that is sufficient to impact the rupture behavior. A model was then developed for predicting cladding rupture that transfers the cladding surface temperatures, rod internal and external pressures, fast neutron fluence, and fast neutron flux from a more detailed Layered1D, Layered2D, or 2D-RZ analysis to a 3D cladding only analysis. Comparisons of the rupture model to a few experiments indicate reasonable predictions. The rupture model was then applied to two accident tolerant fuel concepts (FeCrAl and Cr-coated Zircaloy) where it predicted that both ATF concepts would have smaller rupture openings and delayed rupture times than the standard Zircaloy-4 cladding material under identical loading conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

An Alternative Frictional Boundary Condition for Computational Fluid Dynamics Simulation of Friction Stir Welding

For better application of numerical simulation in optimization and design of friction stir welding (FSW), this paper presents a new frictional boundary condition at the tool/workpiece interface for computational fluid dynamics (CFD) modeling of FSW. The proposed boundary condition is based on an implementation of the Coulomb friction model. Using the new boundary condition, the CFD simulation yields non-uniform distribution of contact state over the tool/workpiece interface, as validated by the experimental weld macrostructure. It is found that interfacial sticking state is present over large area at the tool-workpiece interface, while significant interfacial sliding occurs at the shoulder periphery, the lower part of pin side, and the periphery of pin bottom. Due to the interfacial sticking, a rotating flow zone is found under the shoulder, in which fast circular motion occurs. The diameter of the rotating flow zone is smaller than the shoulder diameter, which is attributed to the presence of the interfacial sliding at the shoulder periphery. For the simulated welding condition, the heat generation due to friction and plastic deformation makes up 54.4 and 45.6% of the total heat generation rate, respectively. In conclusion, the simulated temperature field is validated by the good agreement to the experimental measurements.

36 MATERIALS SCIENCE↗

Model validations for low-global warming potential refrigerants in mini-split air-conditioning units

To identify low GWP (global warming potential) refrigerants to replace R-22 and R-410A, extensive experimental evaluations were conducted for multiple candidates of refrigerant at the standard test conditions and at high-ambient conditions with outdoor temperature varying from 27.8 C to 55.0 C.. In the study, R-22 was compared to propane (R-290), DR-3, ARM-20B, N-20B and R-444B in a mini-split air conditioning unit originally designed for R-22; R-410A was compared to R-32, DR-55, ARM-71A, L41-2 (R-447A) in a mini-split unit designed for R-410A. To reveal physics behind the measured performance results, thermodynamic properties of the alternative refrigerants were analysed. In addition, the experimental data was used to calibrate a physics-based equipment model, i.e. ORNL Heat Pump Design Model (HPDM). The calibrated model translated the experimental results to key calculated parameters, i.e. compressor efficiencies, refrigerant side two-phase heat transfer coefficients, corresponding to each refrigerant. As a result, these calculated values provide scientific insights on the performance of the alternative refrigerants and are useful for other applications beyond mini-split air conditioning units.

54 ENVIRONMENTAL SCIENCES↗

Evaluation of wall boundary condition parameters for gas-solids fluidized bed simulations

Wall boundary conditions for the solids phase have significant effects on numerical predictions of various gas-solids fluidized beds. Several models for the granular flow wall boundary condition are available in the open literature for numerical modeling of gas-solids flow. In this study, a model for specularity coefficient used in Johnson and Jackson boundary conditions by Li and Benyahia (AIChE Journal, 2012, 58, 2058-2068) is implemented in the open-source CFD code-MFIX. The variable specularity coefficient model provides a physical way to calculate the specularity coefficient needed by the partial-slip boundary conditions for the solids phase. Through a series of 2-D numerical simulations of bubbling fluidized bed and circulating fluidized bed riser, the model predicts qualitatively consistent trends to the previous studies. Furthermore, a quantitative comparison is conducted between numerical results of variable and constant specularity coefficients to investigate the effect of spatial and temporal variations in specularity coefficient.

42 ENGINEERING↗

Principal Eigenvalue Minimization for an Elliptic Problem with Indefinite Weight and Robin Boundary Conditions

This paper focuses on the study of a linear eigenvalue problem with indefinite weight and Robin type boundary conditions. We investigate the minimization of the positive principal eigenvalue under the constraint that the absolute value of the weight is bounded and the total weight is a fixed negative constant. Biologically, this minimization problem is motivated by the question of determining the optimal spatial arrangement of favorable and unfavorable regions for a species to survive. For rectangular domains with Neumann boundary condition, it is known that there exists a threshold value such that if the total weight is below this threshold value then the optimal favorable region is like a section of a disk at one of the four corners; otherwise, the optimal favorable region is a strip attached to the shorter side of the rectangle. Here, we investigate the same problem with mixed Robin-Neumann type boundary conditions and study how this boundary condition affects the optimal spatial arrangement.

97 MATHEMATICS AND COMPUTING↗

Prediction of the Stress–Strain Behavior of Open-Cell Aluminum Foam under Compressive Loading and the Effects of Various RVE Boundary Conditions

The prediction of the mechanical behavior of metallic foams with realistic microstructure and the effects of various boundary conditions on the mechanical behavior is an important and challenging issue in modeling representative volume elements (RVEs). A numerical investigation is conducted to determine the effects of various boundary conditions and cell wall cross sections on the compressive mechanical properties of aluminum foam, including the stiffness, plateau stress and onset strain of densification. The open-cell AA6101-T6 aluminum foam Duocel is used in the analyses in this study. Geometrical characteristics including the cell size, foam relative density, and cross-sectional shape and thickness of the cell walls are extracted from images of the foam. Then, the obtained foam microstructure is analyzed as a 2D model. The ligaments are modeled as shear deformable beams with elastic-plastic material behavior. To prevent interpenetration of the nodes and walls inside the cells with large deformations, self-contact-type frictionless interaction is stipulated between the internal surfaces. Sensitivity analyses are performed using several boundary conditions and cells wall cross-sectional shapes. The predicted results from the finite element analyses are compared with the experimental results. Finally, the most appropriate boundary conditions, leading to more consistent results with the experimental data, are introduced.

36 MATERIALS SCIENCE↗

Tribological properties of PDA + PTFE coating in oil-lubricated condition

In this work the tribological properties of 45 ± 2 μm-thick polytetrafluoroethylene (PTFE) and polydopamine (PDA) + PTFE coatings in oil-lubricated conditions were investigated under a normal load of 10 N and a linear reciprocating speed of 0.1 m/s. Both the PTFE and the PDA + PTFE coatings were deposited using an in-house spray-coating method. The PDA + PTFE coating was five times more durable compared to the PTFE coating in oil-lubricated conditions. Both PTFE and PDA + PTFE coatings showed lower COF in oil-lubricated conditions than in dry conditions. The nanomechanical properties measured by PeakForce Quantitative Nanomechanical (PFQNM) characterization method showed an increase in Young’s modulus and adhesion force for the PDA + PTFE coatings compared to the PTFE coatings. Chemical analysis showed that the cross-linking between PDA and PTFE polymer chains occurred during the high-temperature sintering procedure. Finally, the higher adhesion of PDA + PTFE coating to the cast iron substrate and the stronger cohesion due to the cross-linking between PDA and PTFE contributed to the higher durability of the PDA + PTFE composite coatings.

36 MATERIALS SCIENCE↗

A velocity/stress mixed stabilized nodal finite element for elastodynamics: Analysis and computations with strongly and weakly enforced boundary conditions

A new nodal mixed finite element is proposed for the simulation of linear elastodynamics and wave propagation problems in time domain. Our method is based on equal-order interpolation discrete spaces for both the velocity (or displacement) and stress (or strain) tensor variables. The mixed form is derived using either the velocity/stress or velocity/strain pair of unknowns, the latter being instrumental in extensions of the method to nonlinear mechanics. The proposed approach works equally well on hexahedral or tetrahedral grids and, for this reason, it is suitable for time-domain engineering applications in complex geometry. The peculiarity of the proposed approach is the use of the rate form of the stress update equation, which yields a set of governing equations with the structure of a non-dissipative space/time Friedrichs’ system. We complement standard traction boundary conditions for the stress with strongly and weakly enforced boundary conditions for the velocity (or displacement). Weakly enforced boundary conditions are particularly suitable when considering complex geometrical shapes, because they do not require dedicated data structures for the imposition of the boundary degrees of freedom, but, rather, they utilize the structure of the variational formulation. Here we also show how the framework of weakly enforced boundary conditions can be used to develop variational forms for multi-domain simulations of heterogeneous media. A complete analysis including stability and convergence proofs is included, in the case of a space–time variational approach. A series of computational tests are used to demonstrate and verify the performance of the proposed approach.

42 ENGINEERING↗

Conditional distribution estimation of building characteristics with diffusion models for urban energy modeling

Understanding current energy consumption behavior in communities is critical for informing future energy use decisions and enabling efficient energy management. Urban energy models, which are used to simulate these energy use patterns, require large datasets with detailed building characteristics for accurate outcomes. However, such detailed characteristics at the individual building level are often unknown and costly to acquire, or unavailable. Through this work, we propose using a generative modeling approach to generate realistic building attributes to fill in the data gaps and finally provide complete characteristics as inputs to energy models. Our model learns complex, building-level patterns from training on a large-scale residential building stock model containing 2.2 million buildings. We employ a tabular diffusion-based framework that is designed to handle heterogeneous (discrete and continuous) features in tabular building data, such as occupancy, floor area, heating, cooling, and other equipment details. We develop a capability for conditional diffusion, enabling the imputation of missing building characteristics conditioned on known attributes. We conduct a comprehensive validation of our conditional diffusion model, firstly by comparing the generated conditional distributions against the underlying data distribution, and secondly, by performing a case study for a Baltimore residential region, showing the practical utility of our approach. Our work is one of the first to demonstrate the potential of generative modeling to accelerate building energy modeling workflows.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗