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At least 1,081 records · Page 60

Meta-GGA exchange-correlation free energy density functional to increase the accuracy of warm dense matter simulations

We discuss strategies for thermalization of the ground-state meta-generalized gradient approximation (meta-GGA) exchange-correlation (XC) functionals. A simple but accurate scheme is implemented via universal additive thermal correction to XC using a perturbative-like self-consistent approach. The additive correction with explicit temperature dependence is applied to the ground-state deorbitalized, strongly constrained and appropriately normed (SCAN-L) meta-GGA XC leading to thermal XC functional denoted here as T-SCAN-L. Thermal T-SCAN-L meta-GGA functional shows significant improvement in density functional theory calculation accuracy for warm dense matter by a factor of 3 to 10, achieving unprecedented accuracy of total pressure between a few tenths and 1% when compared to traditional XC functionals, as demonstrated by the comparison to pathintegral Monte Carlo simulations for helium equation of state. Furthermore, the T-SCAN-L calculations of dc conductivity of warm dense aluminum also give better agreement with experiments over other XC functionals such as PBE and SCAN-L.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Improved modeling of the solid-to-plasma transition of polystyrene ablator for laser direct-drive inertial confinement fusion hydrocodes

We report that the target performance of laser direct-drive inertial confinement fusion (ICF) can be limited by the development of hydrodynamic instabilities resulting from the nonhomegeneous laser absorption at the target surface, i.e., the laser imprint on the ablator. To understand and describe the formation of these instabilities, the early ablator evolution during the laser irradiation should be considered. In this work, an improved modeling of the solid-to-plasma transition of a polystyrene ablator for laser direct-drive ICF is proposed. This model is devoted to be implemented in hydrocodes dedicated to ICF which generally assume an initial plasma state. The present approach consists of the two-temperature model coupled to the electron, ion and neutral dynamics including the chemical fragmentation of polystyrene. The solid-to-plasma transition is shown to significantly influence the temporal evolution of both free electron density and temperatures, which can lead to different shock formation and propagation compared with an initial plasma state. The influence of the solid-to-plasma transition on the shock dynamics is evidenced by considering the scaling law of the pressure with respect to the laser intensity. The ablator transition is shown to modify the scaling law exponent compared with an initial plasma state.

36 MATERIALS SCIENCE↗

Developments and Challenges in the Design of the ITER DRGA

We report the ITER Diagnostic Residual Gas Analyzer (DRGA) will measure the distribution of gas species, i.e., deuterium (D), tritium (T), and impurities, in the divertor exhaust stream and in the plasma periphery, with time resolution relevant to fusion plasma–wall particle dynamics. The uniqueness of the DRGA, over previous implementations of plasma dynamics residual gas analysis, is an integrated approach, combining mass and low-temperature plasma-activated optical spectroscopy, in a differentially pumped analysis station. A further unique feature of the ITER divertor-specific DRGA is an ~8-m separation of the analysis station from the sampled pumping duct, while still maintaining a ~1-s response time for hydrogen isotopic concentrations. ITER DRGA final design activities are strongly benefiting from testing of prototypical DRGA components and methods on present fusion devices, most currently on JET and W7-X. DRGA systems are implemented on both these devices and include sensors (and pumping methods) that are directly relevant to the ITER DRGA design. The recent JET-DTE2 campaign has provided the first experience on operating the combined ITER DRGA sensors with D-T plasmas. While enhancing system design for ITER, this experience on operating devices has also revealed additional engineering challenges, which further guide the continuing final design project. Meanwhile, the recent determination that the ITER DRGA, with slight optimization, will resolve the helium isotopes well enough to support an ITER pre-DT, He-3-based heating scheme, has greatly increased ITER Research Program interest in the DRGA and its implementation well ahead of the DT phase.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Strangeness-neutral equation of state for QCD with a critical point

We present a strangeness-neutral equation of state for QCD that exhibits critical behavior and matches lattice QCD results for the Taylor-expanded thermodynamic variables up to fourth-order in µ B /T. It is compatible with the SMASH hadronic transport approach and has a range of temperatures and baryonic chemical potentials relevant for phase II of the Beam Energy Scan at RHIC. We provide an updated version of the software BES-EoS, which produces an equation of state for QCD that includes a critical point in the 3D Ising model universality class. This new version also includes isentropic trejectories and the critical contribution to the correlation length. Since heavy-ion collisions have zero global net-strangeness density and a fixed ratio of electric charge to baryon number, the BES-EoS is more suitable to describe this system. Comparison with the previous version of the EoS is thoroughly discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Smart Manufacturing Pathways for Industrial Decarbonization and Thermal Process Intensification

Rapid decarbonization is fast becoming the primary environmental and sustainability initiative for many economic sectors. Industry consumes more than 30 % of all primary energy in the United States and accounts for nearly 25 % of all greenhouse gas (GHG) emissions. More than 70 % of energy consumed by the industrial sector is related to thermal processes, which are also the largest contributors of carbon emissions, overwhelmingly due to the combustion of fossil fuels. Thermal process intensification (TPI) seeks to dramatically improve the energy performance of thermal systems through technology pillars focusing on alternative energy sources and processes, supplemental technologies, and waste heat management. The impacts of TPI have significant overlap with the goals of industrial decarbonization (ID) that seeks to phase out all GHG emissions from industrial activities. Emerging supplemental technologies such as smart manufacturing (SM) and the industrial internet of things (IoT) enable significant opportunities for the optimization of manufacturing processes. Combining strategies for TPI and ID with SM and IoT can open and enhance existing opportunities for saving time and energy via approaches such as tighter control of temperature zones, better adjustment of thermal systems for variations in production levels and feedstock properties, and increased process throughput. Data collected by smart processes will also enable new advanced solutions such as digital twins and machine learning algorithms to further improve thermal system savings. Herein, this paper examines the individual pathways of TPI, ID, and SM and how the combination of all three can accelerate energy and GHG reductions.

42 ENGINEERING↗

Wound Field and Hybrid Synchronous Machines for EV Traction with Brushless Capacitive Rotor Field Excitation (Final Report)

This project focused on the development of wound field synchronous machines (WFSMs) and hybrid excitation synchronous machines (HESMs) with brushless capacitive power transfer for the field excitation. The target application for the machines developed is the main traction motor in electric vehicles. The magnetization in these types of machines is provided by a field winding on the rotor which is excited with DC current. The magnetization level in the machine can be varied by changing the magnitude of the field current. The variable magnetization or field is one of the key features of WFSMs. WFSMs are commonly used as generators however they have several attractive features for automotive traction applications. 1) No use of permanent magnet: Rare earth permanent magnets are primarily mined and processed in China. They have been subject to large price and supply variations and their export may be restricted during times of geopolitical tension. 2) Easy field weakening: Wound field synchronous machines have complete control of their field excitation. With proper design, this type of machine can electromagnetically have an infinite constant power speed range. 3) High power factor: With proper choice of the field excitation, WFSMs may be operated with high or even unity power factor. This potentially allows for the inverter connected to the stator winding to be downsized. In comparison induction machines and interior permanent magnet synchronous machines must supply reactive power to the stator increasing the kVA rating and cost of the inverter. 4) Reduced iron losses at high speed: By reducing the field excitation, the iron loss in the stator can be reduced. This is in comparison to interior permanent magnet synchronous machines which must use stator current to buck or reduce the flux produced by the permanent magnets. Generally, WFSMs have their highest efficiency at high speed. 5) Torque output at high temperatures: The magnetization provided by the field winding only depends on the field current and not on the field winding temperature. This is in contrast to permanent magnet machines where the permanent magnet flux decreases as the magnet temperature increases. Historically a number of approaches have been developed to provide DC current to the rotating field winding in WFSM’s including brushes and slip rings, low frequency brushless exciters, and high frequency rotary transformers and rectifiers. In this project, a different approach was used: brushless capacitive power transfer. Brushless capacitive power transfer uses two sets of rotating capacitors or electrodes in which an AC electric field is established by a high frequency inverter. A displacement current can flow through the airgap in the rotating capacitors which is rectified on the rotor using a diode bridge. The potential advantage of capacitive power transfer is that there is no need for heavy iron to guide magnetic flux. The electric flux lines terminate on the charges on the rotary capacitor surfaces. This should also limit the electric field outside the rotary capacitor airgaps. The main challenge with capacitive power transfer is that the capacitance and surface area of the rotating capacitors is small. Because capacitive power transfer systems are essentially a dual of a magnetic system, an Ampere per Hertz relationship is characteristic versus a Volts per Hertz relationship. A very high frequency power inverter must be used to provide sufficient excitation to the field winding. The concept of using capacitive power transfer to excite a high performance WFSM was initially developed in a previous U.S.A. Dept. of Energy project, DE-EE0006829. This project focused on increasing the power density of the WFSMs and reducing the cost and manufacturing complexity of the capacitive power transfer system. This project has demonstrated that WFSMs with brushless capacitive field power transfer can provide a high-power density and low-cost automotive powertrain technology.

33 ADVANCED PROPULSION SYSTEMS↗

Characterization of Disconnection Content Associated with Grain Boundary Motion in Tungsten

The objective of this study is to develop a new computational methodology to predict the motion of grain boundaries in tungsten associated with recrystallization. This approach accounts recently discovered high-temperature grain boundary phases in tungsten and other metals and alloys. This paper reports the initial work in the project that developed a novel technique for molecular dynamics to characterize disconnections, dislocation-like defects in grain boundaries that mediate grain boundary motion. Grain boundary properties are needed for a thermomechanical model of recrystallization of tungsten for magnetic fusion applications.

36 MATERIALS SCIENCE↗

A Panoramic View of Temperature and Field Distributions of the Structured Catalyst Under Microwave Irradiation Using Experimental and Modeling Approaches

This is a presentation covers NETL's recent research outcome in numerical modeling of microwave-assisted catalytic reaction. In this presentation, the intrinsic microwave-material interaction was demonstrated in this study through numerical modeling and experimental measurement. Different material combinations and reactor setups were investigated and compared. By combining numerical modeling with advanced measurement techniques, the microwave-material interaction and the relationship between electromagnetic field and heating can be better understood, which further benefits the development of microwave-assisted reactors and their application in process intensification.

Bai, Xinwei↗

Multiscale and Machine Learning Modeling for Process-informed Microstructure Prediction in Additively Manufactured Materials Using MALAMUTE

Advanced Materials and Manufacturing Technologies (AMMT) program under the Department of Energy Office of Nuclear Energy, aims to develop and qualify additively-manufactured materials for nuclear applications. The key challenges to these efforts are the microstructural variabilities observed on the AM products and their impact on the properties and performance of the material in extreme environments. AMMT is using a combination of high-through-put experimental and modeling techniques to accelerate the qualification efforts. Conventionally, in-situ and ex-situ characterizations and testing are performed to correlate different aspects of the AM process to the final product and its performance. However, adopting a trial-and-error approach to experimentally evaluate the vast range of process parameters required to capture the microstructural variabilities is cost-prohibitive. Modeling and simulation provide a comparatively inexpensive way to understand and correlate the microstructural evolution to the processing conditions. The modeling and simulation work-packages within the AMMT program aims to use physics-based and machine learning modeling capabilities to develop a digital twin for AM that can correlate the process conditions to the final product and establish a process-structure-property-performance (PSPP) correlation for AM materials. The melting and subsequent solidification that occurs during the AM process is a complex phenomenon that requires multiscale multiphysics analysis. Idaho National Laboratory’s (INL) Multiphysics Object-Oriented Simulation Environment (MOOSE), specifically the MOOSE Application Library for Advanced Manufacturing UTilitiEs (MALAMUTE) software, provides an ideal platform for developing the multiphysics multiscale model to explore the intricacies of the microstructural evolution during the AM processes within a single framework. Furthermore, given that such full-fidelity simulations can be computationally intensive, reduced order models are necessary to explore the PSPP space for AM materials in an efficient, reliable, and cost-effective way. This work package focuses on understanding the role of process variabilities on the various microstructural characteristics of the AM materials. Microstructures unique to AM materials, such as compositional micro-heterogeneity and dislocation cells, are of particular interest here since they can influence the creep properties and radiation performance. In fiscal year (FY) 24, we significantly advanced upon our work in the last fiscal year, both on physics-based and ML models. The alloy solidification model available in MOOSE has been extended to incorporate the thermodynamic properties and free energy relevant to 316SS. The model demonstrates the Cr segregation that occurs during solidifcation. It is demonstrated that rate of solidification and solute segregation is primarily influence by the cooling rate dictating the level of freezing. This work captures the microstructural variabilities at the subgrain level that are often missing in the part-scale models. With an aim to connect the microstructural evolution model to realistic process conditions, a reduced order model is developed for predicting the thermal conditions around meltpool from high-fidelity process simulations. Furthermore, machine learning approach is used to accelerate the temperature prediction during the AM process. In the following years, MALAMUTE will be used to connect different aspects of the models and quantitatively predict the microstructural evolution. The developed ML-based surrogate model will consider the process conditions as the input to predict the microstructural features in a cost-effective way. The generated microstructures can be used by other work packages under AMMT to evaluate the properties and environmental response of the material at the mesoscale. Thus, this work help identify the key microstructural features at the subgrain level that are significant in property/performance prediction of the AM products. This work will provide inputs to the large-scale process variability models to reevaluate and validate assumptions/simplifications made in the part-scale models. Furthermore, through active learning this work will help identify the data need from both modeling and experimental sides for development of a robust digital twin for AM.

36 MATERIALS SCIENCE↗

High power density compact drive integrated motor for electric transportation

This project, initially part of OPEN 2018, and subsequently the ASCEND effort, targeted demonstration of significant enhancements in internal permanent magnet (IPM) motor torque and power density for current and future ground and air electric transportation applications. These were achieved through: (1) embedded two-phase system thermal management, (2) coupled, multi-scale electrical-electromagnetic-thermal-mechanical co-design and optimization, (3) size and weight reduction of motor and drive electronics through elimination of redundant cooling and coupling hardware, and (4) higher efficiency operation of SiC wide bandgap power electronics packaging through high temperature operation (200 oC). The proposed approach utilizes a single dielectric coolant for closed loop two-phase thermal management, and a combined heat rejection unit for the IPM and drive. Wick assisted liquid delivery for evaporative thermal management is utilized for the motor, and the drive electronics utilize the same coolant in flow boiling within the cold plate structures. Through the use of three-dimensional packaging for SiC, and novel drive topologies with reduced switching losses, significant increases in power density and compactness were targeted.

33 ADVANCED PROPULSION SYSTEMS↗

Automated Cloud Based Long Short-Term Memory Neural Network Based SWE Prediction

Snow derived water is a critical component of the US water supply. Measurements of the Snow Water Equivalent (SWE) and associated predictions of peak SWE and snowmelt onset are essential inputs for water management efforts. This paper aims to develop an integrated framework for real-time data ingestion, estimation, prediction and visualization of SWE based on daily snow datasets. In particular, we develop a data-driven approach for estimating and predicting SWE dynamics using the Long Short-Term Memory neural network (LSTM) method. Our approach uses historical datasets (precipitation, air temperature, SWE, and snow thickness) collected at NRCS Snow Telemetry (SNOTEL) stations to train the LSTM network and current year data to predict SWE behavior. The performance of our prediction was compared for different prediction dates and prediction training datasets. Our results suggest that the proposed LSTM network can be an efficient tool for forecasting the SWE timeseries, as well as Peak SWE and snowmelt timing. Results showed that the window size impacts the model performance (where the Nash Sutcliffe efficiency (NSE) ranged from 0.96 to 0.85 and the Rooted Mean Square Error (RMSE) ranged from 0.038 to 0.07) with an optimum number that should be calibrated for different stations and climate conditions. In addition, by implementing the LSTM prediction capability in a cloud based site-monitoring platform, we automate model-data integration. By making the data accessible through a graphical web interface and an underlying API which exposes both training and prediction capabilities. The associated results can be made easily accessible to a broad range of stakeholders.

54 ENVIRONMENTAL SCIENCES↗

Fluorescent CQD-Doped Styrene Acrylic Emulsion Coating Film with Enhanced Optical Properties

Styrene acrylic emulsions (SAEs) have emerged as a promising material for water-based coatings. However, they are still limited by their own defects in practical applications, poor weatherability, and degradation of performance at lower or higher temperatures. Here, we introduce a facile approach to producing fluorescent carbon quantum dots (CQDs) from wood processing residues and fabricating fluorescent CQD/SAE coating films via emulsion-casting. The addition of the fluorescent CQDs enhanced the optical performance of the CQD/SAE coating films. The fluorescent CQDs were prepared via a hydrothermal approach and were obtained after heating at 180 °C for 6 h at a reaction concentration of 50 mg/mL. The synthesized CQDs resulted in a high fluorescence, and the CQDs had an average size of 1.63 nm. Various concentrations of the fluorescent CQDs were doped into the SAE coating film, which improved its optical properties. We also characterized and discussed the products and then explored their optical properties. This study presents the potential of fluorescent CQD/SAE coating films for applications in anti-counterfeiting coatings, fluorescent adhesives, and papermaking.

36 MATERIALS SCIENCE↗

Nuclear pumping of lasers.

Summary of the theoretical and experimental work dealing with nuclear lasers that has been completed during the last year (1971), and review of some new work which may help to establish the direction research in this field may take in the future. So far, the most successful experiments have been carried out utilizing nuclear enhancement of electrically excited CO2 lasers. The goal of attaining lasing in gases utilizing nuclear pumping without an applied electric field is much more difficult to achieve but is being pursued. No experimental or theoretical work has been undertaken thus far in the study of the class of lasers where high-energy particles are produced internally in high-temperature multiple ionized plasmas. Some new approaches to high-power nuclear lasers are suggested.

Russell, G. R.↗

Dispersion strengthened nickel-yttria sheet alloy produced from comminuted powders

An investigation was conducted to determine whether a nickel matrix with yttria as a dispersoid could be produced by a comminution and blending (wet attrition-NASCAB) approach. Concentration of yttria, powder cleaning temperature, screening (sieving) of the powders, and amount of thermomechanical working were major variables. Tensile strength and stress-rupture life at 1093 C were determined. A product containing 4v/o Y2O3, cleaned at 315 or 371 C with screening exhibited 1093 C tensile strength equivalent to NASCAB Ni-4ThO2 and to commercially produced thoriated nickel sheet.

Sikora, P. F.↗

SSME structural computer program development. Volume 2: BOPACE users manual

A computer program for use with a thermal-elastic-plastic-creep structural analyzer is presented. The following functions of the computer program are discussed: (1) analysis of very high temperature and large plastic-creep effects, (2) treatment of cyclic thermal and mechanical loads, (3) development of constitutive theory which closely follows actual behavior under variable temperature conditions, (4) stable numerical solution approach which avoids cumulative errors, and (5) capability of handling up to 1000 degrees of freedom. The computer program is written in FORTRAN IV and has been run on the IBM 360 and UNIVAC 1108 computer systems.

Vos, R. G.↗

Data and results from a study of internal convective cooling systems for hypersonic aircraft

An extensive survey of current and future airframe construction materials and coolants was conducted, so that the most promising candidates could be examined for cooled-panel, cooling-system and airframe concepts. Consideration was given to over 100 structural materials, 50 coolants, 6 classes of structural panel concepts, 4 classes of thermal panel concepts with numerous variations, and 3 overall cooled airframe design approaches, including unshielded, shielded, and dual temperature types. The concept identification and parametric comparison phase examined all major elements of the convectively cooled airframe, including the differing requirements at various locations on the aircraft. The parametric results were used for the investigation to two separate vehicles, a hypersonic transport with a length of 96 meters (314 feet) and a weight of 24,000 kg (528,600 lb) and a hypersonic research airplane, with a length of 25m (80 ft) and a weight of 20,300 kg (447,000 lb).

Anthony, F. M.↗

Investigation of environmental change pattern in Japan. Investigation of variations in the prominent oceanic current, Kuroshio

The author has identified the following significant results. From ocean current analysis, it is concluded that the vortex was formed when the stream axis of the Kuroshio was gradually approaching Shiono Misaki. The sea surface temperatures in the area were found to be nearly homogenious having the values of 27.3 to 27.8C. Transparency of the water was better on the east side of Shiono Misaki than on the west side, the values being 20 to 27 m against 13m. Surface salinity distribution had a considerably high value of 33.7% on the east side, decreasing toward the west to become 32%.

Maruyasu, T.↗

Preliminary measurements of quality factors of monocrystals

High Q's were obtained with silicon and sapphire crystals on four points mechanical suspensions. Instrumentation was developed to observe the approach to thermal equilibrium at cryogenic temperatures and to study thermal noise level and fluctuations. High Q crystals with low thermal noise level are promising candidates as high stability time references.

Richard, J. P.↗