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At least 325 records · Page 18

Low level coupling scheme between neutronics and thermal-hydraulics based on Anderson acceleration

The simulation of nuclear reactors is a multiphysics problem mixing, amongst other fields, neutron transport and thermal-hydraulics. The simplest and most used approach in multiphysics simulation is based on the coupling of single-physics codes in a black-box fashion. However, in order to reduce the computational time needed for such simulations, case-dependent optimizations are often required. In this paper, we aim at reducing the computational time required to solve a coupled neutronic/thermal-hydraulic steady-state problem on a simplified Pressurized Water Reactor (PWR) core. The idea is to deal simultaneously with the coupling of the energy groups of the deterministic neutronic description of the core and its thermal-hydraulic description with the Anderson acceleration. By doing so, the fission source terms are directly accelerated instead of the power map as done in most cases. The power method used to solve the k-eigenvalue problem inside the neutronic solver is thus accelerated with the Anderson acceleration. The numerical experimentations conducted in this work are performed using APOLLO3 and THEDI, and indicate that such coupling strategy improves the convergence rates in terms of number of iterations required and the total computational time. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Design of Energy Storage Friendly Regulation Signals using Empirical Mode Decomposition

This paper presents an energy storage friendly regulation signal design method based on empirical mode decomposition (EMD). Battery energy storage systems (BESS) have a very fast response rate and excellent ramping capability, making them ideal resources for providing fast regulation services. However, the limitation in energy storage capacity prevents the BESS from following non-energy neutral signals for prolonged durations. The existing BESS-friendly regulation signal design uses the filter-based approach, which cannot guarantee the resultant fast changing signals are energy neutral. The EMD-based approach decomposes the raw regulation signal into an energy-neutral, fast-changing component and a slow-changing component. The fast and slow regulation signals obtained using the proposed method are compared with the PJM RegD and RegA signals. Simulation results and cost-benefit analysis demonstrate that both generators and BESSs have achieved better performance in terms of revenue, response rate, and lifetime when responding to the EMD-based regulation signals compared with the filter-based RegA and RegD signals.

Meng, Yao↗

Development of the Advanced D1S for Shutdown Dose Rate Calculations in Fusion Reactors

The assessment of the shutdown dose rate due to neutron activation is fundamental for shielding design, materials selection, licensing and planning of maintenance operations in high performances fusion devices. The shutdown dose rate calculations require the combined use of radiation transports and inventory codes. The typical approach consists in a two steps procedure. A pure neutron transport simulation is performed in a first step to calculate the spatial distribution of neutron spectra. The results are used as input for an activation calculation that provides the decay gamma source used in a second step for a pure gamma transport simulation (rigorous-two step, R2S). The Direct 1-Step (D1S) approach has been developed more than ten years ago by ENEA and the ITER team: this technique relies on a coupled neutron-decay gamma transport in a single simulation. It is based on the use of a modified version of the MCNP5 Monte Carlo code with specially tailored nuclear cross-section data for transport and FISPACT inventory code for temporal behaviour. The 'Advanced-D1S' is an improved version of D1S in which additional computational features have been introduced, such as the mesh tally capability and continuous time evolution assessment of the dose rate in single run dose. It has been validated through measurements at JET tokamak and comparison with R2S codes and a future benchmark experiment during next high performance deuterium-tritium campaign is in preparation at JET. It has also been extensively used for ITER calculations and recently applied to DEMO assessment. Present limitations and in progress code improvement strategy are described and discussed in this paper.

61 RADIATION PROTECTION AND DOSIMETRY↗

Operating a commercial building HVAC load as a virtual battery through airflow control

Virtual battery (VB) is an innovative method to model flexibility of building loads and effectively coordinate them with other resources at a system level. Unlike a real battery with a dedicated power conversion system for charging control, methods are required for operating building loads to deviate from the baseline to respond to grid signals. This paper presents a VB control for a commercial heating, ventilation, and air conditioning (HVAC) system to follow the desired power consumption in real-time by adjusting zonal airflow rates. The proposed method consists of two parts. At the system level, a mixed feedforward and feedback control is used to estimate the desired total airflow rate. At the zone level, two priority-based algorithms are then proposed to distribute the total airflow rate to individual zones. In particular, a zonal airflow limit estimation method is proposed using machine-learning techniques, in contrast to physics-based thermal models in existing studies, to more accurately capture zonal thermal dynamics and improve temperature control performance. An office building on the Pacific Northwest National Laboratory campus is implemented in EnergyPlus, and used to illustrate and validate the proposed control.

Wang, Jiyu↗

Measuring the maximum capacity and thermal resistances in phase-change thermal storage devices

Thermal energy storage can increase the efficiency of the electric grid by adding flexibility to thermal systems. The value of thermal storage is a function of its energy and power density, which are driven by the capacity and thermal resistances in the storage device. Measuring these properties in-situ at the device level is an important step to understanding the performance and improving the design of thermal storage systems. Here, we present methods to measure the total capacity and thermal resistances in heat exchangers with integrated phase change materials. These methods are demonstrated on two thermal storage devices - a 570-kWh ice-based storage tank and a 0.35-kWh graphite-tetradecane composite device. The results show how thermal resistances evolve with the state of charge and discharge rate in these devices and quantify the impact of applied pressure on the contact resistance in composite phase change material heat exchangers. The proposed method allows for easy comparison between different systems and provides information on the thermal bottlenecks limiting performance. Ultimately, these measurements will allow designers to make robust, high-performance thermal storage devices for next-generation thermal systems.

25 ENERGY STORAGE↗

TRISO SiC Failure Probability for Reactivity Initiated Accidents in High-Temperature Gas-Cooled Reactors

This work analyzes the failure process of the silicon carbide (SiC) layer in tristructural isotropic (TRISO) during reactivity-initiated accident scenarios for a high-temperature gas-cooled reactor (HTGR) with BISON. Two cases are considered—a group control rod withdrawal (CRW) and a control rod ejection (CRE)—reproduced from a previous study. Failure probability is modeled using Weibull statistics, and worst-case scenario Weibull parameters are adopted to simulate the envelopes in BISON with a one-dimensional TRISO model. CRW scenario results are characterized by higher values of maximum energy deposition and final temperature and volumetric strain with respect to the CRE ones, but the latter have remarkably higher SiC failure probability, mainly due to the offset in strain rates between the two cases. This work also confirms the validity and conservatism of the performance envelopes produced in a previous work by replicating the envelope formulation using RELAP5-3D and RAVEN with a different sampling technique and obtaining consistent results. A sensitivity analysis using the Sobol variance decomposition method on SiC failure probability is then performed involving a set of inputs on both CRW and CRE. The two most important parameters are Weibull modulus and characteristic stress, and their relative importance depends on the specific case. The proposed interpretation of the results is that both energy deposition and strain rate influence the relative degree of importance of the failure parameters. Computation of 95% confidence intervals around worst-case scenario SiC failure probability values is also carried out for four different sets of Weibull parameters. Heren a new criterion for SiC TRISO quality classification built upon safety-based ranges of Weibull parameters is proposed to be integrated in future Fuel-Production Quality Assurance Plans.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Experimental and Numerical Investigations of Cyclic Plastic Deformation of Al-Mg Alloy

In this work, low-cycle fatigue (LCF) tests are performed on as-received and solution-treated Al-Mg alloy (AA 5754). Solution heat treatment of the as-received alloy is performed at 530 °C for 2 h and then quenched in water at room temperature. The low-cycle fatigue response of the as-received and solution-treated alloy is evaluated at five different strain amplitudes from 0.2 to 0.6%. The strain rate of 0.5 × 10{sup −3} s{sup −1} is kept constant in all the LCF tests. The LCF behavior of AA 5754 is modeled by finite element method (FEM) using Chaboche kinematic hardening cyclic plasticity model. Hardening behavior or fatigue life of as-received and solution-treated alloy is successfully simulated using this model. The results obtained by FEM simulations are compared with those obtained by LCF experiments. Microstructural studies are also performed for as-received and solution-treated alloy. The fracture surfaces obtained from LCF tests are analyzed by scanning electron microscopy.

36 MATERIALS SCIENCE↗

Fatigue crack growth rates of X100 steel welds in high pressure hydrogen gas considering residual stress effects

Fatigue crack growth rate (FCGR) data were measured in high pressure hydrogen gas versus stress intensity factor range (ΔK) in specimens removed from a X100 welded steel pipe. Three distinct regions of the pipe weld were examined: base metal, weld fusion zone, and heat affected zone. Tests were performed at a load ratio (R) of 0.5, frequency of 1 Hz, and at a hydrogen gas pressure of 21 MPa. Tests were also performed in air at 10 Hz as a reference. Fatigue crack growth rates were observed to be over an order of magnitude higher for tests performed in hydrogen compared to the rates from tests in air. Residual stress measurements were collected on identical specimens cut from the base metal, weld, and heat affected zone to account for their influence on measured FCGR data. The slitting method provided residual stress and residual stress intensity factor (K res ), the effect of which was removed from the FCGR data using K norm in order to provide a more direct comparison of crack growth resistance of the base metal, weld and heat affected zone. Prior to accounting for residual stress, FCGR in hydrogen gas appeared to be highest in the weld fusion zone. Furthermore, after accounting for residual stress effects, the weld fusion zone FCGR data converged to the base metal FCGR data, which underscores the importance of accounting for residual stress effects when assessing fatigue performance.

42 ENGINEERING↗

Inferring Strength of Tantalum from Hydrodynamic Instability Recovery Experiments

Hydrodynamic instability experiments allow access to material properties at extreme conditions, where strain rates exceed 105 s -1 and pressures reach 100 GPa. Current hydrodynamic instability experimental methods require in-flight radiography to image the instability growth at high pressure and high strain rate, limiting the facilities where these experiments can be performed. An alternate approach, recovering the sample after loading, allows measurement of the instability growth with profilometry. Tantalum samples were manufactured with different 2D and 3D initial perturbation patterns and dynamically compressed by a blast wave generated by laser ablation. The samples were recovered from peak pressures between 30 and 120 GPa and strain rates on the order of 107 s -1 , providing a record of the growth of the perturbations due to hydrodynamic instability. These records are useful validation points for hydrocode simulations using models of material strength at high strain rate. Recovered tantalum samples were analyzed, providing an estimate of the strength of the material at high pressure and strain rate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Water-Based Electrode Manufacturing and Direct Recycling of Lithium-Ion Battery Electrodes—A Green and Sustainable Manufacturing System

It is critical to develop a low-cost and environmentally friendly system to manufacture and recycle lithium-ion batteries (LIBs) as the demand on LIBs keeps increasing dramatically. Conventional LIB cathodes are manufactured using N-methyl-2-pyrrolidone as the solvent, which is expensive, highly toxic, flammable, and energy intensive to produce and recover. Ideally, a close-loop industrial supply chain should be built, in which the batteries are manufactured, market harvested, and recycled with minimal external toxic solvent through the whole system. This work demonstrates a green and more sustainable manufacturing method for LIBs where no hazardous organic solvent is used during electrode manufacturing and recycling. The electrodes fabricated via water-based processing demonstrate comparable rate performance and cycle life to the ones from conventional solvent-based processing. Utilization of a water-soluble binder enables recovering the cathode compound from spent electrodes using water, which is successfully regenerated to deliver comparable electrochemical performance to the pristine one.

25 ENERGY STORAGE↗

Porous NaTi2(PO4)3@C nanocubes as improved anode for sodium-ion batteries

Highlights: • Porous NaTi{sub 2}(PO{sub 4}){sub 3}@C nanocubes are synthesized. • Oleic acid is utilized as the carbon source. • NaTi{sub 2}(PO{sub 4}){sub 3}@C is to be measured at 0.01–3 V for SIBs. • NaTi{sub 2}(PO{sub 4}){sub 3}@C achieves 201 mAh g{sup −1} at 100 mA g{sup −1} after 100 cycles. • NaTi{sub 2}(PO{sub 4}){sub 3}@C delivers 140 mAh g{sup −1} at 1 A g{sup −1} for 1000 times. - Abstract: The NASICON-type NaTi{sub 2}(PO{sub 4}){sub 3} has drawn much attention as anode material for sodium-ion batteries owing to its stable structural characteristics and low cost. Nevertheless, the insulating property of NaTi{sub 2}(PO{sub 4}){sub 3} and the high working potential of about 2.1 V vs. Na{sup +}/Na lead to its poor cycling stability, low rate performance as well as inferior capacity. In this work, we synthesize the porous NaTi{sub 2}(PO{sub 4}){sub 3}@C nanocubes by hydrothermal method and a subsequent coating process with using oleic acid as the carbon source. When utilized as the anode for sodium-ion battery in the voltage range between 0.01 V and 3.0 V, The as-synthesized porous NaTi{sub 2}(PO{sub 4}){sub 3}@C nanocubes deliver a discharge capacity of 201 mAh·g{sup −1} at the current density of 100 mA g{sup −1} after 100 cycles. Additionally, the reserved capacity of 140 mAh·g{sup −1} could be achieved at the current density of 1 A g{sup −1} after 1000 cycles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Role of Accelerated Burnup Irradiation Testing in Support of Accelerated Fuel Qualification

Accelerated fuel qualification has gained attention as a means to reduce the time needed to realize new nuclear fuel concepts and expand the operating windows of existing fuel forms. A key component of this approach is accelerated burnup irradiation testing. Although the concept of accelerated burnup has been familiar to the community for many decades, the specifics about how the increasing fission rate may be used as a qualification tool have not yet been elucidated. The present work provides a vision of how accelerated fission rate testing can enable accelerated fuel qualification. Technology readiness levels (TRLs) are reintroduced to demarcate the stages of traditional fuel qualification, and accelerated fuel qualification is presented in this context. The critical steps needed to achieve each TRL are reframed within the context of modern nuclear materials research and development, as revolutionary fuel concepts are more common than previous eras. The practical impacts of accelerated fuel qualification approaches as applied to contemporary fuel qualification efforts are illustrated. Examples are given to illustrate how accelerated burnup irradiations are being used currently and could be applied in the future to support qualification and licensure. Finally, outstanding challenges in the application of accelerated burnup methods to nuclear fuel qualification are summarized, with priority placed on understanding how fission rate impacts diffusion, microstructure evolution, and other critical mechanisms that dictate fuel performance.

Accelerated fuel qualification↗

Ab Initio Investigation of Charge Trapping Across the Crystalline- Si -Amorphous- Si O 2 Interface

Accurate microscopic description of the charge-trapping process from semiconductor to defects in the dielectric-oxide layer is of paramount importance for understanding many microelectronic devices such as complementary metal-oxide-semiconductor (CMOS) transistors, as well as electrochemical reactions. Unfortunately, most current microscopic descriptions of such processes are based on empirical models with parameters fitted to experimental device performance results or simplified approximations like the Wentzel-Kramers-Brillouin (WKB) method. Some critical questions are still unanswered, including: What controls the charge-hopping rate, the coupling strength between the defect level to semiconductor level, or the energy difference? How does the hopping rate decay with defect-semiconductor distance? What is the fluctuation of the defect level, especially in amorphous dielectrics? Many of these questions can be answered by ab initio calculations. However, to date, there are few ab initio studies for this problem mainly due to technical challenges from atomic-structure construction to large-system calculations. Here, using the latest advances in calculation methods and codes, we study the carrier-trapping problem using density-functional theory (DFT) based on the Heyd-Scuseria-Ernzerhof (HSE) exchange correlation functional. The valence bond random-switching method is used to construct the crystalline-Si-amorphous-SiO2 (c-Si/a-SiO2) interfacial atomic structure, and the HSE yields a band offset that agrees well with experiments. The hopping rate is calculated with the Marcus theory, and the hopping-rate dependences on the gate potential and defect distances are revealed, as well as the range of fluctuation results from amorphous structural variation. We also analyze the result with the simple WKB model and find a major difference in the description of the coupling constant decay with the defect-semiconductor distance. Our results provide the ab initio simulation insights for this important carrier-trapping process for device operation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Neoadjuvant Chemotherapy and Nipple-Sparing Mastectomy: Timing and Postoperative Complications

Background: As the demand for nipple-sparing mastectomy (NSM) increases and surgeons expand the eligibility criteria, a subset of patients may become candidates following neoadjuvant chemotherapy (NACT). However, the impact of NACT on postoperative complications remains unclear as the current literature is discordant. Methods: A single-institution, retrospective chart review was performed on patients undergoing NSM from 1989 to 2017. Patient demographics, surgical intervention, systemic treatment, and complication rates were collected. Primary outcomes were 30-day postoperative complications, including nipple-areolar necrosis, skin flap necrosis, infection, wound dehiscence, hematoma, and seroma. Secondary outcomes included characterization of the timing between chemotherapy and surgical intervention, and the impact on complication rates. Each breast was considered independently for analysis, and breasts undergoing either NACT or primary surgery (PS) were compared. Results: Of the 832 breasts included, 88 (10.6%) received NACT and 744 (89.4%) underwent PS. Baseline complication rates were not significantly different between the NACT group and the PS group (5.7% vs. 10.6%; p = 0.119). When controlling for age, body mass index (BMI), smoking, and prior radiation, NACT was not a predictor of complications. Time from completion of NACT to PS occurred at a median of 40.5 days (interquartile range 31.3–55.3), and decreased intervals were not associated with increased complication rates. Conclusions: Postoperative complications following NSM in patients completing NACT are comparable with those receiving PS. Patients undergoing NACT do not have a significantly increased risk of necrosis, unintended reoperations, or nipple loss. NACT should not be considered a contraindication for NSM.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Designing Catalysts for Dehydrogenation of Methane for Reducing Greenhouse Gas during Natural Gas Extraction

Catalytic conversion of methane (CH 4 ) into useful products is critical for maximizing the utility of natural gas output and for reducing green house gas release associated with flaring (burning off CH 4 at natural gas extraction sites). One particular useful technique is methane dry reforming (DRM), which involves the chemical reaction of CH 4 with carbon dioxide (CO 2 ) to generate carbon monoxide (CO), hydrogen gas (H 2 ), and subsequently other useful products. New and improved catalysts are required to facilitate efficient dry methane reforming. In this report, we apply the Density Functional Theory (DFT) computational technique to investigate a catalyst consisting of small nickel clusters (Ni n , n < 10) on ceria (Ce0 2 (111) surfaces) support. One main thrust of this project is to study the initial CH 4 and CO 2 reactions with the catalyst. We find that CH 4 exhibits barrierless reactive adsorption on to the catalyst. In order words, this step is likely not the rate-determining step. A second thrust is to perform detailed studies of the catalyst itself and examine the role of oxygen vacancies. Using a specific DFT method and a hypothesis about the absence of the Ce(III) redox state, we obtain predictions about oxygen vacancies in good agreement with experimental observations.

03 NATURAL GAS↗

Demand response of loads having thermal reserves

Systems and methods are described herein that improve grid performance by smoothing demand using thermal reserves. The smoothed demand can reduce peak loads as well as the ramp rate of demand that will otherwise require the use of inefficient, expensive generation sources. These improvements are tied to the selective switching on or off electrical loads that are coupled to thermal reserves, effectively using the thermal reserves as an energy storage mechanism. Historical data of past usage can be used to create load model and ensure that effects on customer comfort are minimized while still accomplishing the beneficial effects for the overall grid, which enables grid owners to both reduce their operational cost by avoiding expensive generation and improve system reliability by achieving more predictable power demand.

Ren, Wei↗

Ductal Carcinoma In Situ with Microinvasion on Core Biopsy: Evaluating Tumor Upstaging Rate, Lymph Node Metastasis Rate, and Associated Predictive Variables

Introduction: The role of sentinel lymph node biopsy (SLNB) when ductal carcinoma in situ with microinvasion (DCISM) is identified on core biopsy is unclear. Objective: Our aim was to assess the upstage rate to invasive cancer and axillary lymph node metastasis in patients diagnosed with DCISM, and whether predictive variables could be identified that may help inform who would most likely benefit from a surgical axillary evaluation. Methods: We performed a retrospective review of 70 patients diagnosed with DCISM on core biopsy. Patients with concomitant or prior invasive cancer were excluded. Demographic, clinical, radiographic, histologic, and treatment data were collected. Fisher’s exact test and univariable and multivariable logistic regression were performed to identify variables that may be associated with tumor upstaging and nodal metastasis. Time-to-event distributions were summarized using the Kaplan–Meier method. Results: On final surgical pathology, 49 patients (70%) had a final diagnosis of DCISM or T1mi cancer, whereas 21 patients (30%) were upstaged to measurable invasive cancer (> 1 mm). One of 49 patients (2%) with DCISM on final pathology and 4 of 21 patients (19%) with measurable invasive cancer showed sentinel lymph node metastases. Conclusion: Although the upstage rate to measurable invasive cancer in our cohort of patients with DCISM on core biopsy was 30%, findings of a positive SLNB remain low at 7%. No predictive variables were identified to inform whether the routine practice of SLNB may be omitted in some patients with DCISM.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Field-Aging Test Bed for Behind-the-Meter PV + Energy Storage

Small DC-coupled battery test systems are deployed at the National Renewable Energy Laboratory to evaluate capacity fade models and report on performance parameters such as round-trip efficiency under indoor and outdoor deployment scenarios. Initial commercial battery products include LG Chem RESU lithium-ion (Li-ion) and Avalon vanadium redox flow batteries. Adapting indoor lab-scale test methods to outdoor systems has challenges, including maintaining constant temperature and fully controlling batteries through standard discharge curves. Initial measurements show the Li-ion battery systems performing within expectations, near 85% round-trip efficiency. Initial lifetime modeling and measurements indicate that battery capacity could degrade by 20%-35% over 10 years at current rates.

14 SOLAR ENERGY↗