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At least 199 records · Page 11

Evaluation of the accuracy of stopping and range of ions in matter simulations through secondary ion mass spectrometry and Rutherford backscattering spectrometry for low energy heavy ion implantation

The freely available “Stopping and Range of Ions in Matter” (SRIM) code is used for evaluating ion beam ranges and depth profiles. We present secondary ion mass spectrometry and Rutherford backscattering experimental results of Si samples implanted with low energy Sb ions to evaluate the accuracy of SRIM simulations. We show that the SRIM simulation systematically overestimates the range by 2–6 nm and this overestimation increases for larger ion implantation energy. For the lowest energy implantation investigated, here we find up to a 25% error between the SRIM simulation and the measured range. Finally, the ion straggle shows excellent agreement between simulation and experimental results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Modeling and Feedback Compensator Design for Power-Hardware-in-the-Loop System for Medium-Voltage Grid-Connected Power Converters

Hardware-in-the-loop (HIL) evaluation is a method in which the test subject is split into a physical part and a simulated part, and these parts are connected with interfaces to form a combined physical-numerical system. Power-hardware-in-the-loop (PHIL) systems, where actual hardware is connected to a real-time model, can exhibit issues of instability, inaccuracy and errors when operating in a closed-loop. The challenges of generating a PHIL setup are that, first, because of the limited dynamic response of the different parts of the system, the test results might be inaccurate, and, second, because of the high frequency noise introduced by the sensors to the closed-loop system, it can be difficult to design a compensator for the real-time emulator response, while stabilizing the closed-loop system at the same time. In this paper, different parts of a PHIL system are characterized, and the feedback compensator system design is proposed for the stable operation of the closed-loop PHIL system. The issues as observed in a PHIL system without any compensator are demonstrated using experimental results, and the effectiveness of a first order phase lead compensator is validated.

compensator design↗

Alternating conduction and convection drying of paper – an experimental analysis with a continuous data acquisition approach

In conventional multi-cylinder drying of paper and board, both conductive drying from steam-heated dryer cylinders and convective drying by flowing air over the paper surface in the pockets are used. Conductive drying from steam-heated drying cylinders is a critical component in providing the necessary thermal energy to paper and board as they dry. Steam temperature and internal and external resistances at the contacting surface are critical process parameters influencing the conductive drying process. An experimental setup was developed to study the alternating conductive and convective drying of paper and board. Paper sheet moisture, temperature, and temperature distribution within the heated platen and the instantaneous heat flux as the sheet was being dried were measured. The instantaneous heat flux, contact heat transfer coefficient, and drying rates were determined as drying proceeds. Experimental results, as well as comparisons to literature and commercial data, are presented. The conductive heat transfer coefficients determined were compared to traditional correlations normally used in the modeling of paper drying. Similarly, the convective heat and mass transfer coefficients are also determined and compared to literature data. In addition to the evaluation of alternating conductive and convective drying characteristics of paper and board, the potential inclusion of auxiliary energy components will also be included. Experimental results from the conduction and convection drying system are presented. Furthermore, this data will be useful in process development, intensification of manufacturing processes, and modeling and simulation of paper drying processes.

42 ENGINEERING↗

Micro-mechanical investigation of the thermo-mechanical properties of micro-architectured tungsten coatings

The thermo-mechanical response of micro-architectured tungsten coatings is characterized in the temperature range of 293 to 673 K using both in situ micro-compression experiments inside a scanning electron microscope (SEM) as well as image-based crystal plasticity finite element method (CPFEM) simulations. The experiments were conducted on micropillar-like specimens that were focus ion beam milled into the coatings, while the simulations were conducted on columnar-grained micropillar simulation cells constructed based on the statistics of the coating’s microstructure. The experimental results show that the stress–strain response and deformation mode exhibit a strong temperature-dependence. At room temperature, catastrophic failure is observed shortly after yield and is manifested in the form of intergranular fracture and buckling of individual columnar grains. With increasing temperature, this catastrophic failure is gradually suppressed and the material exhibits a steadier strain hardening response at 693 K. The CPFEM simulations are also shown to be in good agreement with the experimental results, and these simulations indicate that the material response is strongly influenced by the local crystallographic anisotropy and microstructure inhomogeneity. Furthermore, the simulations capture the underlying mechanisms that control the temperature-dependent transition in deformation mode. The current results highlight that the micro-architectured microstructure offers a great combination of excellent mechanical strength and structural integrity at elevated temperatures, which is of importance for high temperature applications.

36 MATERIALS SCIENCE↗

An experimental, theoretical, and kinetic modeling study of post-flame oxidation of ammonia

The post -flame oxidation rate of ammonia was investigated in a novel atmospheric pressure flow reactor at temperatures of 1280 ± 16 K and as a function of residence time and mixture composition (1-10% O 2 , dry and moist). The experimental results, as well as selected data from literature, were analyzed using an updated detailed chemical kinetic model. The medium temperature, very lean conditions enhance the importance of reactions of the nitroxyl (HNO) intermediate. High-level theory was used to calculate the rate constant for HNO + NH 2 , indicating that this step is significantly faster than values used in literature. Furthermore, a trajectory based approach was used to determine collision efficiencies for selected bath gases for HNO + M. The experimental results show that the NH 3 oxidation rate increases with temperature and O 2 concentration, while the presence of water vapor slightly inhibits reaction. Formation of NO and N 2 O was strongly promoted at higher levels of O 2 . Modeling results agreed well with the measurements, except at the lowest level of O 2 . The predicted oxidation rate of NH 3 was shown to result from a delicate balance between chain branching and terminating steps involving NH 2 , H 2 NO, and HNO. Recent theoretical work on reactions of these species by Klippenstein and coworkers and Stagni et al. was instrumental in improving modeling predictions. After initiation, NO reached a pseudo -steady-state level, where the pathways to NO were largely balanced by the NH 2 + NO reaction. Nitric oxide was partly oxidized to NO 2 , with the NH 2 + NO 2 reaction responsible for most of the N 2 O formation. Novelty and significance statement: This study provides the first detailed kinetic analysis of the lean postflame oxidation of ammonia, based on time -resolved flow reactor data in a novel reactor. In addition to the post -flame oxidation rate of ammonia, data for formation of NO and N 2 O were compared with modeling predictions. The medium temperature, very lean conditions enhance the importance of reactions of the HNO and H 2 NO intermediates. Inclusion in the model of results from recent high-level theoretical work, including present calculations for HNO + NH 2 and HNO + M, was crucial for capturing the observed behavior. It is argued that the post -initiation steady-state NH 3 oxidation rates constitute important data for model validation, along with ignition delays and laminar flame speeds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Design, Construction and Testing of the Straw Tracking Detectors for the E989 Muon g-2 Experiment at Fermilab.

The requirement of science, to stretch the boundaries and our understanding of the standard model,is the driving force for the continuous development of our knowledge of the building blocks of theUniverse. Experiments are designed, built and tested to support the theories of the mathematiciansof the physics community and the theorists help interpret the experimental results, looking foravenues of new physics. However, as is known in both science and human nature, nothing is everperfect - there is always room for improvement.The E989 Muon g-2 Collaboration experiment at Fermi National Accelerator Laboratory (otherwiseknown as Fermilab), aims to quantify the muon anomalous magnetic moment to unprecedentedprecision and looks to increase the accuracy of the measurement by fourfold of the predecessorexperiment - E821 at Brookhaven. The discrepancy between the theoretical prediction of theanomalous magnetic moment of the muon and the experimental results, has given tantalisingindication of new physics, prompting an ”upgrade” for systematic accuracy on the E821.The particular focus of this thesis details the design, construction and quality testing of the strawtracking modules for the E989 experiment. The author was one of the dedicated technicians whobuilt and tested the tracker modules at the University of Liverpool High Energy Physics (HEP)department, she built and quality tested the modules, wrote the procedural document for the buildand subsequently was involved in the Run I startup, shut down and data taking shifts (for Run Iand Run II) which contributed to the recent release of the first unblinded data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

High-Frequency Signature-Based Fault Detection for Future MV Distribution Grids: Preprint

Increased deployment of Distributed Energy Resources (DERs) and microgrids are significantly changing the operation of distribution grid. Increasing penetration of power electronics based DERs also raise several operational problems such as protection coordination issues, voltage raise, recloser synchronization, stability, and frequency control. Legacy systems are designed for unidirectional power flow. Bidirectional power flows, and varying short circuit levels are some of the major challenges in implementing these legacy protection schemes for future power grid with high penetration of power electronics based DERs. Inverter based DER’s can contribute to a maximum of 2 p.u. fault current. Interconnection standards might require even lower fault current contribution. If these protection related challenges are not addressed, it will result in limiting the penetration of DERs in distribution feeders. In this paper, the feasibility of high frequency signature generated by transients is evaluated to identify and locate faults in a distribution system. The paper will discuss the need for an accurate line modeling approach to accurately capture the high frequency signatures. These high frequency signatures are naturally occurring electromagnetic transients for events such as switching events in the network, faults events, etc. This is different than that implemented in transmission systems as the proposed approach utilizes advanced signal processing techniques to retrieve valuable information from the high frequency signatures generated during faults and does not just rely on time delay measurements between reflections of the high frequency signals. In the full paper, information of a modified IEEE distribution feeder test system to accurately model the high frequency signatures will be provided. The distribution lines will be modeled using universal line modeling (ULM) technique in an electromagnetic transients program (EMTP) modeling platform. Different test cases will be simulated and these test cases will include different fault types, multiple fault locations, capacitor bank switching, etc. The feeder system modeled for these simulations will also include power electronics based DERs. Additionally, experimental results demonstrating the high frequency signatures generated due to a transient event in a medium voltage (13.8 kV) distribution line will also be presented in the full paper. Furthermore, the analysis combined with simulation and experimental results in the full paper will help demonstrate the feasibility and efficacy of the proposed protection scheme. The developed protection scheme will not just help solve problems generated by bidirectional current flow, varying short-circuit current capacity, but also help in proliferation of DERs in distribution systems.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Validation of HVAC Hardware-in-the-Loop Simulation for Advanced Control Strategies in Smart Homes: Preprint

Residences with smart thermostats can use advanced control strategies to manage their cooling/heating demand, but it is difficult to evaluate optimal control strategies for flexible heating, ventilation, and air conditioning (HVAC) systems in a traditional laboratory setting. The HVAC hardware-in-the-loop (HIL) system combines physical HVAC equipment and a physical thermostat with a simulated house to enable realistic operation of the hardware in any climate. This HIL platform allows researchers to evaluate advanced control strategies for homes with different construction or vintage types, as well as different climates and occupancy schedules. To demonstrate the capabilities of the HVAC HIL system, experimental results with a SEER 16, HSPF 9.5, 3 ton single-speed air source heat pump are validated against past field data collected from a heavily instrumented, unoccupied, retrofit house located in Sacramento, California. Three different cooling strategies are recreated in the HVAC HIL platform, including two different pre-cooling schedules that were designed to shift energy use away from the evening peak. The room temperatures, heat pump energy use, and run time show good agreement between the field data and HIL experimental results for three strategies.

cooling strategies↗

Monte Carlo simulations of Cu/Ni–Si–Mn co-precipitation in duplex stainless steels

First-Passage Kinetic Monte Carlo (FPKMC) simulations of species migration in duplex stainless steels were performed in order to establish relationships between alloy content, segregation behavior, and the formation of Ni-Si-Mn rich particles in cast duplex stainless steels during thermal aging. The Ni-Si-Mn-rich second phase forms after extended aging at reactor operating temperatures and degrades alloy properties. Simulations of Ni-Si-Mn cluster formation were validated through comparison with experimental results obtained through Atom Probe Tomography (APT) on similar alloy compositions, identifying several trends. First, Cu promotes the formation of Ni-Si-Mn clusters, but only when Ni or Mn prefer segregation to the surface of Cu particles; without the segregation of these species, the critical composition for the clusters to form was not achieved. Second, the width of precipitate-denuded zones near ?/d interfaces increases with decreasing Cu content. This finding was in strong agreement with APT results, further validating our model. Finally, our model predicts that Ni-Si-Mn cluster formation will be the most extensive when the Si:Mn ratio is approximately 1:1 and the least extensive when one of these key elements is less concentrated (Mn = 0.5 at.% or Si = 0.5 at.%). The implications of these results on how to improve alloy properties are discussed.

Cu co-precipitation, Atom probe tomography (APT), ↗

Testing GFM and GFL Inverters Operating With Synchronous Condensers

Inverter-based resources (IBRs) are quickly evolving into a source of reliability services to the electric grid. Penetration levels of variable generation are rapidly increasing, ranging from 60% -70% in some systems. To go further, a fundamental shift is required to address challenges associated with grid stability. Synchronous condensers (SCs) are considered an important complementary technology in such transitions. This paper provides one-of-a-kind insights into real experimental results from operating a real MW-scale system consisting of a 2.2-MVA grid-forming (GFM) and grid-following (GFL) battery energy storage system, 2.5-MVA SCs, and a 3-MVA load bank operating as a small, islanded grid. Challenges that are expected in larger systems were mimicked in this small but real system to demonstrate seamless transitions from one mode to another as well as stable operation with different combinations of GFM and GFM resources, including a "loss of last synchronous generator" case. The experimental results presented in this paper are a valuable resource to everyone involved in developing and validating models or developing controls of power systems consisting of inverters and synchronous condensers.

grid-following converter↗

Development and Evaluation of Distributed Energy Resource Device Models: Electric Vehicles, Electric Water Heaters, and Commercial Refrigeration Systems

In order to validate distributed energy resource (DER) models operated with grid services in the GMLC 1.4.2 team’s February (GMLC 2019a) and July (GMLC 2019b) reports, a test and measurement program using actual DER devices was conducted by national laboratories for three devices: (1) electric vehicles (EVs), (2) water heaters, and (3) commercial refrigeration. Test procedures were developed and carried out to identify the mathematical models and their parameters that describe the operational function, characterize the physics, and obey transient response of the devices. This report focuses on the experimental results obtained to develop and verify simulations of three specific EV models. This section summarizes elements of the mathematical model and shows the necessity data collected from the EVs while charging and discharging (driving). In the course of the study, we found it necessary to make some modifications to the model to deal with observed transient behavior. Section 1.2 details the model assumptions and equations, Section 1.3 provides details of the EVs tested, Section 1.4 outlines the test procedures developed for the projects, and Section 1.5 presents the experimental results obtained for the three different EVs tested and how these results compare to the models running the same test profiles.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Experimental Evaluation of Deformation and Fracture Mechanisms in Highly Irradiated Austenitic Steels

The present report documents recent experimental results of analysis using scanning electron microscopy/electron backscatter diffraction (SEM-EBSD) of plastic deformation mechanisms and strain localization phenomena in austenitic steels irradiated by neutrons. Experiments were performed with specimens irradiated to 125 dpa and, additionally, with specimens that experienced radiation-induced swelling up to 3%. Section 1 briefly analyzes the deformation localization in irradiated steels and its consequences on the material performance. The section describes the advantages and importance of the SEM-EBSD approach combined with in situ mechanical testing capability. Section 2 briefly introduces the experimental tools and methods (i.e., SEM/EBSD in situ tensile frame, electric discharge machine to manufacture irradiated specimens) and describes the investigated materials (i.e., element composition, irradiation conditions, and general microstructure). Section 3 describes the key experimental results and provides a brief analysis and comparison with the datasets obtained earlier within the same task (i.e., low-dose specimens). The discussion focuses on EBSD microstructure maps with strain localization features, misorientation evolution as a function of strain, and observed deformation mechanisms. Section 4 evaluates data collected in recent years on highly irradiated steel and estimates the possible misorientation evolution under irradiation. The section introduces and discusses the concept of in-service-induced damage as an irradiation-assisted stress-corrosion cracking precursor. Section 5 summarizes the work performed. As expected, the present work results are beneficial for exploring and understanding degradation mechanisms in highly irradiated in-core materials found in light water reactors after long-term in-service life.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Chapter 4: Physically informed deep learning networks for simulating microstructure evolution of 3D polycrystals

As discussed in the previous chapter, high energy diffraction microscopy (HEDM) is used to study the micromechanical evolution of a material during in situ loading. HEDM experiments have been used to verify crystal plasticity (CP) simulations [119, 91, 90, 120], for experimental planning, material design, and to further analyze experimental results. However, Fast Fourier transform-based CP (CP-FFT) or finite element-based CP (CP-FE) methods are often too slow to be used in real-time during an experiment. CP-FFT is faster than CP-FE simulations due to the absence of meshing, but can still take hours to simulate the response of a single volume depending on the size and number of strain steps [127]. Reducing computation time would create a larger exploration space in planning and design, and enable faster analysis of experimental results and real-time feedback during an experiment. This research expands upon previous works to develop a workflow for predicting the full-field evolution of a 3D polycrystal. The workflow is simplified from previous works to predict only orientation and elastic strain tensors (from which stress tensors are calculated). The network is physically informed through loss functions and network architecture for a more robust model. The orientation predictions are informed about the cubic crystal symmetry of the material by incorporating disorientation and misorientation information into the network architecture and loss. The Von Mises stress is used to enforce the correct stress-strain trends in the strain tensor predictions. Additional total strain steps from the elastic and elastoplastic region are included to better capture the stress-strain evolution at smaller total strain steps. Material and hardening parameters are additional inputs into the networks to further inform the network and to study the network’s ability to predict different materials other than those used for training.

36 MATERIALS SCIENCE↗

A High-Power Density Segmented Traction Drive Inverter

High power density is one of the requirements for traction drive inverters for meeting increasing demand for higher power and performance electrical vehicles (EV). This paper presents design and preliminary experimental results for a 100 kW high-power density inverter for EV traction drive applications. The inverter design was based on the segmented inverter topology that can significantly reduce the inverter DC filter capacitor and employs low-profile planar double-sided cooled SiC MOSFET-based power modules, compact mini-channel heat sinks with fin-profile optimized using genetic-algorithms, and high-ripple current capacitors. The design produced a compact inverter package with a total volume less than 1 litter, exceeding the power density goal of 100 kW/L. Experimental results are included to demonstrate the cooling and electrical performance.

Su, Gui-Jia↗

Ultra-High Temperature Thermal Conductivity Measurements of a Reactive Magnesium Manganese Oxide Porous Bed Using a Transient Hot Wire Method

Pelletized magnesium manganese oxide shows promise for high temperature thermochemical energy storage. It can be thermally reduced in the temperature range between 1250 °C and 1500 °C and re-oxidized with air at typical gas-turbine inlet pressures (1–25 bar) in the temperature range between 600 °C and 1500 °C. The combined thermal and chemical volumetric energy density is approximately 2300 MJ/m3. The rate at which a thermochemical storage module can be charged is limited by heat transfer inside the solid packed bed. Hence, the effective thermal conductivity of packed beds of magnesium-manganese oxide pellets is a crucial parameter for engineering Mg-Mn-O redox storage devices. We have measured the effective thermal conductivity of a packed bed of 3.66 ± 0.516 mm sized magnesium manganese oxide (Mn to Mg molar ratio of 1:1) pellets in the temperature range of 300–1400 °C. Since the material is electrically conductive at temperatures above 600 °C, the sheathed transient hot wire method is used for measurements. Raw data is analyzed using the Blackwell solution to extract the bed thermal conductivity. The effective thermal conductivity standard deviation is less than 10% for a minimum of three repeat measurements at each temperature. Experimental results show an increase in the effective thermal conductivity with temperature from 0.50 W/m °C around 300 °C to 1.81 W/m °C close to 1400 °C. We propose a dual porosity model to express the effective thermal conductivity as a function of temperature. This model also considers the effect of radiation within the bed, as this is the dominant heat transfer mode at high temperatures. The proposed model accounts for microscale pellet porosity, macroscale bed porosity, pellet size, solid thermal conductivity (phonon transport), and radiation (photon transport). The coefficient of determination between the proposed model and the experimental results is greater than 0.90.

Engineering↗

Mechanochemical Synthesis of Sustainable Ternary and Quaternary Nanostructured Cu2SnS3, Cu2ZnSnS4, and Cu2ZnSnSe4 Chalcogenides for Thermoelectric Applications

Copper-based chalcogenides have emerged as promising thermoelectric materials due to their high thermoelectric performance, tunable transport properties, earth abundance and low toxicity. We have presented an overview of experimental results and first-principal calculations investigating the thermoelectric properties of various polymorphs of Cu2SnS3 (CTS), Cu2ZnSnS4 (CZTS), and Cu2ZnSnSe4 (CZTSe) synthesized by high-energy reactive mechanical alloying (ball milling). Of particular interest are the disordered polymorphs of these materials, which exhibit phonon-glass–electron-crystal behavior—a decoupling of electron and phonon transport properties. The interplay of cationic disorder and nanostructuring leads to ultra-low thermal conductivities while enhancing electronic transport. These beneficial transport properties are the consequence of a plethora of features, including trap states, anharmonicity, rattling, and conductive surface states, both topologically trivial and non-trivial. Based on experimental results and computational methods, this report aims to elucidate the details of the electronic and lattice transport properties, thereby confirming that the higher thermoelectric (TE) performance of disordered polymorphs is essentially due to their complex crystallographic structures. In addition, we have presented synchrotron X-ray diffraction (SR-XRD) measurements and ab initio molecular dynamics (AIMD) simulations of the root-mean-square displacement (RMSD) in these materials, confirming anharmonicity and bond inhomogeneity for disordered polymorphs.

36 MATERIALS SCIENCE↗

How numerical simulations helped to achieve breakeven on the NIF

The inertial confinement fusion program relies upon detailed simulations with inertial confinement fusion (ICF) codes to design targets and to interpret the experimental results. These simulations treat as much physics from essential principles as is practical, including laser deposition, cross beam energy transfer, x-ray production and transport, nonlocal thermal equilibrium kinetics, thermal transport, hydrodynamic instabilities, thermonuclear burn, and transport of reaction products. Improvements in radiation hydrodynamic code capabilities and vast increases in computing power have enabled more realistic, accurate 3D simulations that treat all known asymmetry sources. We describe how numerical simulations helped to guide the program, assess the impediments to breakeven, and optimize every aspect of target design. A preshot simulation of the first National Ignition Facility experiment that surpassed breakeven predicted an increased yield that matches the experimental result, within the preshot predicted uncertainty, with a target gain of 1.5. We will cover the key developments in Lawrence Livermore National Laboratory ICF codes that enabled these simulations and give specific examples of how they helped to guide the program.

Marinak, M. M. (ORCID:0009000331127696)↗

A pseudo-kinetic model to simulate phase changes in gas hydrate bearing sediments

Herein, modeling of the phase transitions anticipated in gas hydrate bearing sediments (GHBS) is critical for a proper understanding of time-dependent changes in states and volumes (e.g. the production of methane from this type of soils). We propose a new pseudo-kinetic approach to simulate the typical phase changes anticipated in GHBS, using published experimental results involving gas hydrate dissociation that are the basis of a widely used kinetic model. The proposed pseudo-kinetic model is formulated in the pressure-temperature (P-T) plane and assumes a rate of gas hydrate dissociation (or formation) proportional to the distance between the current state and the phase boundary. The model consists of only one parameter and is simple to implement in numerical simulators. A similar concept is used to model ice formation/thawing phenomena, but based on the ice/liquid-water phase boundary. We implemented the pseudo-kinetic model in a fully coupled thermo-hydro-chemo-mechanical (THCM) finite element code and validated it against experimental results performed on the dissociation of synthetic gas hydrate. We also evaluated the pseudo-kinetic model using synthetic cases covering several scenarios associated with gas hydrate formation/dissociation and ice formation/thawing. The model successfully reproduced the gas production test from a natural GHBS core from Korea (scaled gas venting experiment over 14 h), and also the formation of gas hydrate and ice in permafrost in Alaska (over 2 × 10 6 years). -The analyses show the versatility of the proposed pseudo-kinetic approach by applying it to model the different types of phase transitions typically encounter in GHBS. The simple formulation, easy implementation in numerical simulator, and reduced number of parameters (only one per phase change) make this model an attractive option for simulating phase transformations in problems involving GHBS.

58 GEOSCIENCES↗