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At least 361 records · Page 20

Hybrid parallel code acceleration methods in full-core reactor physics calculations

When dealing with nuclear reactor calculation schemes, the need for three dimensional (3D) transport-based reference solutions is essential for both validation and optimization purposes. Considering a benchmark problem, this work investigates the potential of discrete ordinates (Sn) transport methods applied to 3D pressurized water reactor (PWR) full-core calculations. First, the benchmark problem is described. It involves a pin-by-pin description of a 3D PWR first core, and uses a 8-group cross-section library prepared with the DRAGON cell code. Then, a convergence analysis is performed using the PENTRAN parallel Sn Cartesian code. It discusses the spatial refinement and the associated angular quadrature required to properly describe the problem physics. It also shows that initializing the Sn solution with the EDF SPN solver COCAGNE reduces the number of iterations required to converge by nearly a factor of 6. Using a best estimate model, PENTRAN results are then compared to multigroup Monte Carlo results obtained with the MCNP5 code. Good consistency is observed between the two methods (Sn and Monte Carlo), with discrepancies that are less than 25 pcm for the k{sub eff}, and less than 2.1% and 1.6% for the flux at the pin-cell level and for the pin-power distribution, respectively. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

In-plane crashworthiness of bio-inspired hierarchical honeycombs

Biological tissues like bone, wood, and sponge possess hierarchical cellular topologies, which are lightweight and feature an excellent energy absorption capability. Here we present a system of bio-inspired hierarchical honeycomb structures based on hexagonal, Kagome, and triangular tessellations. The hierarchical designs and a reference regular honeycomb configuration are subjected to simulated in-plane impact using the nonlinear finite element code LS-DYNA. The numerical simulation results show that the triangular hierarchical honeycomb provides the best performance compared to the other two hierarchical honeycombs, and features more than twice the energy absorbed by the regular honeycomb under similar loading conditions. We also propose a parametric study correlating the microstructure parameters (hierarchical length ratio r and the number of sub cells N) to the energy absorption capacity of these hierarchical honeycombs. The triangular hierarchical honeycomb with N = 2 and r = 1/8 shows the highest energy absorption capacity among all the investigated cases, and this configuration could be employed as a benchmark for the design of future safety protective systems.

36 MATERIALS SCIENCE↗

Secondary-Phase Stochastics in Lithium-Ion Battery Electrodes

Lithium-ion battery electrodes exhibit complex interplay among multiple electrochemically coupled transport processes, which rely on the underlying functionality and relative arrangement of different constituent phases. The electrochemically inactive solid phases (e.g., conductive additive and binder, referred to as the secondary phase), while beneficial for improved electronic conductivity and mechanical integrity, may partially block the electrochemically active sites and introduce additional transport resistances in the pore (electrolyte) phase. In this work, the role of mesoscale interactions and inherent stochasticity in porous electrodes is elucidated in the context of short-range (interface) and long-range (transport) characteristics. The electrode microstructure significantly affects kinetically and transport-limiting scenarios and thereby the cell performance. The secondary-phase morphology is also found to strongly influence the microstructure-transport-kinetics interactions. Apropos, strategies have been proposed for performance improvement via electrode microstructural modifications.

25 ENERGY STORAGE↗

Advances and Promises of Layered Halide Hybrid Perovskite Semiconductors

Layered halide hybrid organic–inorganic perovskites (HOP) have been the subject of intense investigation before the rise of three-dimensional (3D) HOP and their impressive performance in solar cells. Recently, layered HOP have also been proposed as attractive alternatives for photostable solar cells and revisited for light-emitting devices. Here, we combine classical solid-state physics concepts with simulation tools based on density functional theory to overview the main features of the optoelectronic properties of layered HOP. A detailed comparison between layered and 3D HOP is performed to highlight differences and similarities. In the same way as the cubic phase was established for 3D HOP, here we introduce the tetragonal phase with D 4h symmetry as the reference phase for 2D monolayered HOP. It allows for detailed analysis of the spin–orbit coupling effects and structural transitions with corresponding electronic band folding. We further investigate the effects of octahedral tilting on the band gap, loss of inversion symmetry and possible Rashba effect, quantum confinement, and dielectric confinement related to the organic barrier, up to excitonic properties. Altogether, this paper aims to provide an interpretive and predictive framework for 3D and 2D layered HOP optoelectronic properties.

14 SOLAR ENERGY↗

Sensitivity Analysis and Effective Parametrization of PEM Fuel Cell Models

The cost of proton-exchange-membrane fuel cells (PEMFCs) remains a major hurdle in large-scale commercialization of this technology. To improve their performance and reduce cost, novel materials and electrode designs are continuously envisioned, e.g., non-PGM catalyst layers, ultra-thin Pt/Pt-Ni based catalyst layers, structured ionomer arrays or NSTF catalyst layers.1 Understanding the impact of these improvement strategies can be extremely time and cost intensive due to complex physical phenomena and large design space. We have previously developed a PEMFC modeling framework2 which has been a time and cost effective tool for understanding and optimizing the complex multi-physics phenomena within PEMFCs; however, several of the cell parameters used in the modeling have large spread in measured data.3 Furthermore, several transport parameters such as water adsorption kinetics have not been accurately measured and the approximations are spread over several orders of magnitude. These uncertainties cause problems in ascertaining accuracy of the modeling approach and they reduce the predictive power of the numerical models. The aim of this work is to identify the sensitivity of PEFC numerical model outputs to various input parameters. The previously in-house developed MEA modeling framework2 is used for PEMFC modeling. The sensitivity of the model outputs with respect to inputs parameters is obtained by analyzing the condition numbers for different output-input pairs at varying operating conditions. An example of the sensitivity analysis is shown in Figure 1. The condition numbers are obtained for the entire possible range of input parameters at varying operating conditions to identify the most crucial parameters of the PEMFC model. Based on our preliminary analysis, parameters related to kinetics (exchange current density and ECSA) and heat/water management in electrodes and ionomer (ionomer fraction, thermal conductivity) are most crucial. One of the major goals of this work is to identify the most crucial set of parameters towards which the model shows maximum sensitivity. This will guide future experimentalists to measure these properties with higher accuracy. Furthermore, the sensitivity analysis will also enable us to optimize the PEMFC performance by selectively targeting the most sensitive parameters and thereby making the largest impact. Acknowledgements The work is funded under the Fuel Cell Performance and Durability Consortium (FC-PAD), by the Fuel Cell Technologies Office (FCTO), Office of Energy Efficiency and Renewable Energy (EERE), of the U.S. Department of Energy under contract number DE-AC02-05CH11231. The authors would like to thank Nathan Craig at Robert Bosch LLC for his valuable input in designing the sensitivity analysis. The authors would also like to thank Giovanna Bucci and Matthias Hanauer at Robert Bosch for their valuable inputs and discussion. References P. K. Sinha, W. Gu, A. Kongkanand and E. Thompson, J. Electrochem. Soc., 158, B831 (2011). L. M. Pant, M. R. Gerhardt, N. Macauley, R. Mukundan, R. L. Borup and A. Z. Weber, Electrochim. Acta, 326, 134963 (2019). R. Vetter and J. O. Schumacher, ArXiv181110091 Phys. (2018). Figure 1

Pant, Lalit↗

Review of betavoltaic energy conversion

Betavoltaic energy conversion refers to the generation of power by coupling a beta source to a semiconductor junction device. The theory of betavoltaic energy conversion and some past studies of the subject are briefly reviewed. Calculations of limiting efficiencies for semiconductor cells versus bandgap are presented along with specific studies for Pm-147 and Ni-63 fueled devices. The approach used for fabricating Pm-147 fueled batteries by the author in the early 1970's is reviewed. Finally, the potential performance of advanced betavoltaic power sources is considered.

Olsen, Larry C.↗

Laser Frequency Stabilization for Coherent Lidar Applications using Novel All-Fiber Gas Reference Cell Fabrication Technique

Compact hollow-core photonic crystal fiber (HC-PCF)gas frequency reference cell was constructed using a novel packaging technique that relies on torch-sealing a quartz filling tube connected to a mechanical splice between regular and hollow-core fibers. The use of this gas cell for laser frequency stabilization was demonstrated by locking a tunable diode laser to the center of the P9 line from the (nu)1+(nu)3 band of acetylene with RMS frequency error of 2.06 MHz over 2 hours. This effort was performed in support of a task to miniaturize the laser frequency stabilization subsystem of JPL/LMCT Laser Absorption Spectrometer (LAS) instrument.

Laser Absorption Spectrometer (LAS)↗

An investigation of the multi-mode Richtmyer-Meshkov instability at a gas/HE interface using Pagosa

Here, in this work, we present a hydrocode Pagosa and explore the Richtmyer-Meshkov Instability (RMI) at an air/high explosive (HE) interface for the first time that is important but has not received much attention yet in the high explosive safety field. Thus, the presented Pagosa can be expected to predict the whole deflagration-to-detonation transition (DDT) process in future. In Pagosa, spatial discretization is implemented on cubic staggered grids by computing different variables at the vertex and the cell center, respectively, a special operator-splitting technique is employed to reduce the computational cost, and an artificial viscosity is added to handle the discontinuous shock waves in our simulations. To quantitatively evaluate the capability of Pagosa to solve these kinds of instabilities, the single mode Rayleigh-Taylor instability (RTI) and the multimode RMI at an air/SF 6 interface are first performed, respectively. The Pagosa results are compared with the related numerical solutions in the existing references and the experimental result. Moreover, a theoretical derivation of growth of RTI is also provided based on our numerical method. Subsequently, we explore the multi-mode RMI at an air/HE interface as well as the effects of several factors using Pagosa. Numerical results show that Pagosa is a powerful toolset to generate the right structures and the amplitude of RTI and RMI at an air/SF 6 interface. The solid HE can be penetrated by a strong shock wave and forms RMI deformations. The RMI at an air/HE interface behaves very different than at an air/SF 6 interface, periodic, decreased oscillation is observed due to material character, and is very sensitive to the initial simulation settings, that is, a tiny change in physical quantities will lead to a remarkable RMI structure, which is also observed in a shock bubble interaction. The findings in this work are significant, and will present a new insight for the high explosive field.

97 MATHEMATICS AND COMPUTING↗

The effect of the low Earth orbit environment on space solar cells: Results of the advanced photovoltaic experiment (S0014)

The Advanced Photovoltaic Experiment (APEX), containing over 150 solar cells and sensors, was designed to generate laboratory reference standards as well as to explore the durability of a wide variety of space solar cells. Located on the leading edge of the Long Duration Exposure Facility (LDEF), APEX received the maximum possible dosage of atomic oxygen and ultraviolet radiation, as well as enormous numbers of impacts from micrometeoroids and debris. The effect of the low earth orbital (LEO) environment on the solar cells and materials of APEX will be discussed in this paper. The on-orbit performance of the solar cells, as well as a comparison of pre- and postflight laboratory performance measurements, will be presented.

Brinker, David J.↗

DETERMINATION OF REPORTABLE RADIONUCLIDES FOR DWPF SLUDGE BATCH 6 (MACROBATCH 7)

The Waste Acceptance Product Specifications (WAPS) 1.2 require that 'The Producer shall report the inventory of radionuclides (in Curies) that have half-lives longer than 10 years and that are, or will be, present in concentrations greater than 0.05 percent of the total inventory for each waste type indexed to the years 2015 and 3115'. As part of the strategy to comply with WAPS 1.2, the Defense Waste Processing Facility (DWPF) will report for each waste type, all radionuclides (with half-lives greater than 10 years) that have concentrations greater than 0.01 percent of the total inventory from time of production through the 1100 year period from 2015 through 3115. The initial listing of radionuclides to be included is based on the design-basis glass as identified in the Waste Form Compliance Plan (WCP) and Waste Form Qualification Report (WQR). However, it is required that this list be expanded if other radionuclides with half-lives greater than 10 years are identified that may meet the greater than 0.01% criterion for Curie content. Specification 1.6 of the WAPS, International Atomic Energy Agency (IAEA) Safeguards Reporting for High Level Waste (HLW), requires that the ratio by weights of the following uranium and plutonium isotopes be reported: U-233, U-234, U-235, U-236, U-238, Pu-238, Pu-239, Pu-240, Pu-241, and Pu-242. Therefore, the complete set of reportable radionuclides must also include this set of U and Pu isotopes. The DWPF is receiving radioactive sludge slurry from HLW Tank 40. The radioactive sludge slurry in Tank 40 is a blend of the heel from Sludge Batch 5 (SB5) with H-Canyon Np transfers completed after the start of processing SB5, and Sludge Batch 6 (SB6) that was transferred to Tank 40 from Tank 51. The blend of sludge in Tank 40 is also referred to as Macrobatch 7 (MB7). This report develops the list of reportable radionuclides and associated activities as a function of time. The DWPF will use this list and the activities as one of the inputs for the development of the Production Records that relate to radionuclide inventory. This work was initiated through Technical Task Request (TTR) HLW-DWPF-TTR-2009-0014; Rev. 2 entitled Sludge Batch 6 SRNL Shielded Cells Testing. Specifically, this report details results from performing Subtask III, Item 2 of the TTR and, in part, meets Deliverable 7 of the TTR. The work was performed following the Task Technical and Quality Assurance Plan (TTQAP), SRNL-RP-2009-00473, Rev. 15 and Analytical Study Plan (ASP), SRNL-RP-2009-00474, Rev. 1. In order to determine the reportable radionuclides for SB6 (MB7), a list of radioisotopes that may meet the criteria as specified by the Department of Energy's (DOE) WAPS was developed. All radioactive U-235 fission products and all radioactive activation products that could be in the SRS HLW were considered. In addition, all U and Pu isotopes identified in WAPS 1.6 were included in the list. This list was then evaluated and some isotopes were excluded from the projection calculations. Based on measurements and analytical detection limits, 30 radionuclides have been identified as reportable for DWPF SB6 as specified by WAPS 1.2. The WCP and WQR require that all of the radionuclides present in the Design Basis glass be considered as the initial set of reportable radionuclides. For SB6, all of the radionuclides in the Design Basis glass are reportable except for three radionuclides: Pd-107, Cs-135, and Th-230. At no time during the 1100-year period between 2015 and 3115 did any of these three radionuclides contribute to more than 0.01% of the radioactivity on a Curie basis. Two additional uranium isotopes (U-235 and -236) must be added to the list of reportable radionuclides in order to meet WAPS 1.6. All of the Pu isotopes (Pu-238, -239, -240, -241, and -242) and other U isotopes (U-233, -234, and -238) identified in WAPS 1.6 were already determined to be reportable according to WAPS 1.2 This brings the total number of reportable radionuclides for SB6 to 32. The radionuclide measurements made for SB6 are the most extensive conducted to date. Some method development/refinement occurred during the conduct of these measurements, leading to lower detection limits and more accurate measurement of some isotopes than was previously possible. Improvement in the analytical measurements will likely continue, and this in turn should lead to improved detection limit values for some radionuclides and actual measurements for still others.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Design, Optimization, and Validation of GaN-Based DAB Converter for Active Cell Balancing in BTMS Applications: Preprint

This paper focuses on the design of a bidirectional dual active bridge (DAB) DC/DC converter that utilizes Gallium Nitride (GaN) switches as active components. In the existing literature, MOSFET-based DAB for active cell balancing is available, but GaN-based DAB converter for active cell balancing is still new. The proposed modular isolated GaN-based DAB converter is designed as an individual module of active cell balancing for behind-the-meter storage (BTMS) applications, targeting high-power charging stations. Modular isolated converters are connected to each cell (low voltage bus), and each cell is connected in series to build up a battery module. According to the reference current command of supervisory control, each DAB converter can transfer power back and forth through the high voltage (HV) bus to balance the State of Charge (SoC) between the cells. Each module DAB converter is designed at a 50W power rating. Switch power and transformer losses are analyzed for different switching frequencies, showing the optimum switching frequency for minimum losses. Furthermore, the procedure to select the required gate driver and the PCB layout optimization are discussed. Finally, the DAB performance analysis of GaNbased DAB and Si-based DAB is provided for a battery module operating with a LiFeMnPO4 prismatic cell with 3.2V 20Ah rated values.

active cell balancing↗

Stability of Cu(In x Ga 1− x )Se 2 Solar Cells Utilizing RbF Postdeposition Treatment under a Sulfur Atmosphere

Alkali halide postdeposition treatments (PDTs) have become a key tool to maximize efficiency in Cu(In x Ga 1− x )Se 2 (CIGS) photovoltaics. RbF PDTs have emerged as an alternative to the more common Na‐ and K‐based techniques. This study utilizes temperature‐dependent current–voltage ( JVT ) measurements to study a unique RbF PDT performed in a S atmosphere. The samples are measured before and after 6 months in a desiccator to study device stability. Both samples contain Na and K which diffuse from the soda–lime glass substrate. A reference sample and a RbF + S PDT sample both show the development of a rear contact barrier after aging. The contact barrier is higher for the RbF + S PDT sample, leading to decreased current in forward bias. Series resistance is also higher in the RbF + S PDT device which leads to lower fill factor. However, after aging the reference sample has a larger decrease in open‐circuit voltage ( V OC ). Ideality factor measurements suggest Shockley–Read–Hall recombination dominates both samples. V OC versus temperature and a temperature‐dependent activation energy model are used to calculate diode activation energies for each sample condition. Both techniques produce similar values that indicate recombination primarily occurs within the bulk absorber.

14 SOLAR ENERGY↗

Ultra-thin passivation layers in Cu(In,Ga)Se 2 thin-film solar cells: full-area passivated front contacts and their impact on bulk doping

In the search for highly transparent and non-toxic alternative front layers replacing state-of-the-art CdS in Cu(In,Ga)Se 2 thin-film solar cells, alternatives rarely exceed reference devices in terms of efficiency. Full-area ultra-thin aluminium oxide tunnelling layers do not require any contact patterning and thus overcome the main drawback of insulating passivation layers. Even a few monolayers of aluminium oxide can be deposited in a controlled manner by atomic layer deposition, they show excellent interface passivation properties, low absorption, and suitable current transport characteristics on test devices. Depositing a ZnO-based transparent front contact, however, results in extremely poor solar cell performance. The issue is not necessarily a low quality of the alternative front layer, but rather the intricate relation between front layer processing and electronic bulk properties in the absorber layer. We identify three challenges critical for the development of novel front passivation approaches:(i) both Cd and Zn impurities beneficially reduce the high native net dopant concentration in the space charge region, (ii) sputter deposition of ZnO damages the passivation layer resulting in increased interface recombination, (iii) thermal treatments of devices with ZnO layer result in substantial Zn diffusion, which can penetrate the full absorber thickness already at moderate temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Design, Optimization, and Validation of GaN-Based DAB Converter for Active Cell Balancing in BTMS Applications

This paper focuses on the design of a bidirectional dual active bridge (DAB) DC/DC converter that utilizes Gallium Nitride (GaN) switches as active components. In the existing literature, MOSFET-based DAB for active cell balancing is available, but GaN-based DAB converter for active cell balancing is still new. The proposed modular isolated GaN-based DAB converter is designed as an individual module of active cell balancing for behind-the-meter storage (BTMS) applications, targeting high-power charging stations. Modular isolated converters are connected to each cell (low voltage bus), and each cell is connected in series to build up a battery module. According to the reference current command of supervisory control, each DAB converter can transfer power back and forth through the high voltage (HV) bus to balance the State of Charge (SoC) between the cells. Each module DAB converter is designed at a 50 W power rating. Switch power and transformer losses are analyzed for different switching frequencies, showing the optimum switching frequency for minimum losses. Furthermore, the procedure to select the required gate driver and the PCB layout optimization are discussed. Finally, the DAB performance analysis of GaN-based DAB and Si-based DAB is provided for a battery module operating with a LiFeMnPO4 prismatic cell with 3.2V 20Ah rated values.

active cell balancing↗

Verification & Validation of High-Order Short-Characteristics-Based Deterministic Transport Methodology on Unstructured Grids

The research team has developed a practical, high-order, discrete-ordinates, short characteristics neutron transport code for three-dimensional configurations represented on unstructured tetrahedral grids that can be used for realistic reactor physics applications at both the assembly and core levels. This project will perform a comprehensive verification and validation of this new computational tool against both a continuous-energy Monte Carlo simulation (e.g. MCNP) and experimentally measured data, an essential prerequisite for its deployment in reactor core modeling. Verification is divided into three phases. The team will first conduct spatial mesh and expansion order refinement studies to monitor convergence of the numerical solution to reference solutions. This is quantified by convergence rates that are based on integral error norms computed from the cell-by-cell difference between the code’s numerical solution and its reference counterpart. The latter is either analytic or very fine- mesh numerical solutions from independent computational tools. For the second phase, the team will create a suite of code-independent benchmark configurations to enable testing the theoretical order of accuracy of any particular discretization of the discrete ordinates approximation of the transport equation. For each tested case (i.e. mesh and spatial approximation order), researchers will execute the code and compare the resulting numerical solution to the exact solution on a per cell basis to determine the distribution of the numerical error. The final activity comprises a comparison to continuous-energy Monte Carlo solutions for zero-power critical configuration measurements at Idaho National Laboratory’s Advanced Test Reactor (ATR). Results of this comparison will allow the investigators to distinguish between modeling errors and the above-listed discretization errors introduced by the deterministic method, and to separate the sources of uncertainty.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The Megavoltage Radiation Therapy in Treatment of Patients With Advanced or Difficult Giant Cell Tumors of Bone

Purpose: To assess the outcomes of radiotherapy, in terms of local control and treatment complications, of advanced or difficult giant cell tumors of bone (GCTB) that could not be treated by surgery. Methods and Materials: Among 122 consecutive patients with confirmed GCTB from 1985 to 2007, 77 patients were treated by megavoltage radiotherapy because they were inappropriate candidates for surgery. We have performed analysis of all data in terms of progression-free survival (PFS) and treatment morbidity. Median follow-up time was 58 months. Results: In the irradiated group, maximal tumor size ranged from 5 to 18 cm (median, 8.5). Anatomic distribution was as follows: femur, 27 cases; tibia, 19; radial/ulnar bone, 12; sacrum, 9; pelvic bones, 5; other, 5. Twenty-one patients (27%) were referred for local recurrence after {>=}1 other treatment procedures. The radiation doses ranged from 26 to 89 Gy (median, 56; administered 1.8-2.0 Gy/fraction with average total duration of treatment of 5-7 weeks); 8 patients (10%) received <50 Gy. All patients tolerated treatment well without acute or late complications. All patients except two are alive. Local control was achieved in 65 patients (84%; bone recalcification/restitution of joint functions), 12 patients showed signs of local progression, all within irradiated fields (9 were treated successfully with salvage surgery). Five- and 10-year local PFS were 83% and 73%, respectively. Three patients developed lungs metastases. Malignant transformation of GCTB occurred in two patients. Conclusions: GCTB can be safely and effectively treated with megavoltage radiotherapy with local control rate >80% at 5 years. Our study confirms that radiotherapy of GCTB offers an alternative to difficult or complex surgery and may be an option of choice in the treatment of inoperable patients.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Performance Gains of Propellant Management Devices for Liquid Hydrogen Depots

This paper presents background, experimental design, and preliminary experimental results for the liquid hydrogen bubble point tests conducted at the Cryogenic Components Cell 7 facility at the NASA Glenn Research Center in Cleveland, Ohio. The purpose of the test series was to investigate the parameters that affect liquid acquisition device (LAD) performance in a liquid hydrogen (LH2) propellant tank, to mitigate risk in the final design of the LAD for the Cryogenic Propellant Storage and Transfer Technology Demonstration Mission, and to provide insight into optimal LAD operation for future LH2 depots. Preliminary test results show an increase in performance and screen retention over the low reference LH2 bubble point value for a 325 2300 screen in three separate ways, thus improving fundamental LH2 LAD performance. By using a finer mesh screen, operating at a colder liquid temperature, and pressurizing with a noncondensible pressurant gas, a significant increase in margin is achieved in bubble point pressure for LH2 screen channel LADs.

Hartwig, Jason W.↗