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All sourcesNASA NTRSDOE OSTI
NASA NTRS2020

Proceedings of the 2010 NASA-Industry Low Pressure Turbine and Power Turbine (LPT/PT) Efficiency Improvement Workshop

This report includes materials from the NASA-Industry Low Pressure Turbine and Power Turbine (LPT/PT) Efficiency Improvement Workshop that took place on August 10 and 11, 2010, at the NASA Glenn Research Center. The materials include all the presentation slides and a workshop summary article that provides background information, describes the workshop motivation, and provides a summary of the open discussions that took place. Participation included specialists from academia, government laboratories, and industry, from the United States and abroad. The workshop was motivated by underperformance of large commercial engines related to lower-than-expected efficiency of the LPT. It focused on addressing the relevant flow physics. Recommendations were made for continued research. The main recommendation was to conduct rotating rig tests accompanied by the study of fundamental mechanism using computational fluid dynamics (CFD) and turbulence and transition model development.

Transition↗
DOE OSTI2015

Metal hydride based thermal energy storage system requirements for high performance concentrating solar power plants

High temperature concentrating solar power plants require suitable thermal energy storage systems to produce electric power efficiently. Thermochemical energy storage based on metal hydrides represents a very appealing prospect for low cost and high efficient solar storage systems. The objective of the paper is to assess the properties required by the metal hydride systems to achieve the U.S. Department of Energy’s SunShot techno-economic targets. A simplified model has been developed to evaluate the cost and the exergetic efficiency of hydridebased storage systems. Results demonstrate that metal hydride materials, operating at temperatures higher than 650 °C, with reaction enthalpy on the order of 95-110 kJ/molH 2 , raw material cost on the order of 1.4-2 $/kg, weight capacities on the order of 3-4% and operating pressures on the order of tens of bars have the potential to closely approach the targets. Selected sensitivity analyses have also been carried out showing that the raw material cost, the material weight capacity and the metal hydride reaction enthalpy are the properties that strongly affect the performance of the storage system.

08 HYDROGEN↗
DOE OSTI2022

Resilience Design Patterns: A Structured Approach to Resilience at Extreme Scale (V.2.0)

Reliability is a serious concern for future extreme-scale high-performance computing (HPC) systems. Projections based on the current generation of HPC systems and technology roadmaps suggest the prevalence of very high fault rates in future systems. The errors resulting from these faults will propagate and generate various kinds of failures, which may result in outcomes ranging from result corruptions to catastrophic application crashes. Therefore, the resilience challenge for extreme-scale HPC systems requires coordination between various hardware and software technologies that are capable of handling a broad set of fault models at accelerated fault rates. Also, due to practical limits on power consumption in future HPC systems, they are likely to embrace innovative architectures, increasing the levels of hardware and software complexities. Therefore, the techniques that seek to improve resilience must navigate the complex trade-off space between resilience and the overheads to power consumption and performance. While the HPC community has developed various resilience solutions, application-level techniques as well as system-based solutions, the solution space of HPC resilience techniques remains fragmented. There are no formal methods to integrate the various HPC resilience techniques into composite solutions, nor are there methods to holistically evaluate the adequacy and efficacy of such solutions in terms of their protection coverage, and their performance & power efficiency characteristics. Additionally, few implementations of current resilience solutions are portable to newer architectures and software environments that will be deployed on future systems. We developed a new structured approach to the management of HPC resilience using the concept of resilience-based design patterns. In general, a design pattern is a repeatable solution to a commonly occurring problem. We identified the well-known solutions that are commonly used to deal with faults, errors and failures in HPC systems. In the initial design patterns specification (version 1.0), we described the various solutions, which address specific problems in the design of resilient HPC environments, in the form of patterns. Each pattern describes a problem caused by a fault, error or failure event in an HPC environment, and then describes the core of the solution of the problem in such a way that this solution may be adapted to different systems and implemented at different layers of the system stack. The catalog of these resilience design patterns provides designers with a collection of design elements. To construct complete resilience solutions using combinations of various patterns, we defined a framework that enhances HPC designers' understanding of the important constraints and the opportunities for the design patterns to be implemented and deployed at various layers of the system stack. The design framework is also useful for establishing interfaces and mechanisms to coordinate flexible fault management across hardware and software components, as well as to consider the trade-off between performance, resilience, and power consumption when constructing a solution. The resilience design patterns specification version 1.1 included more detailed explanations of the pattern solutions, the context in which the patterns are applicable, and the implications for hardware or software design. It also provided several additional examples and detailed case studies to demonstrate the use of patterns to build realistic solutions. In version 1.2 of the specification document, we have improved the pattern descriptions, including graphical representations of the pattern components. These improvements are largely based on critical comments, feedback and suggestions received from pattern experts and readers of the previous versions of the specification. The pattern classification has been modified to further clarify the relationships between pattern categories. This version of the specification also introduces a pattern language for resilience design patterns. The pattern language presents the patterns in the catalog as a network, revealing the relations among the resilience patterns. The language provides designers with the means to explore alternative techniques for handling a specific fault model that may have different efficiency and complexity characteristics. Using the pattern language also enables the design and implementation of comprehensive resilience solutions as a set of interconnected resilience patterns that can be instantiated across layers of the system stack. The overall goal of this work is to provide hardware and software designers, as well as the users and operators of HPC systems, a systematic methodology for the design and evaluation of resilience technologies in HPC systems that keep scientific applications running to a correct solution in a timely and cost-efficient manner despite frequent faults, errors, and failures of various types. Version 2.0 expands the resilience design pattern classification and catalog to include self-stabilization patterns and reliability, availability and performance models for each structural pattern.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Sizing and Location Selection of Medium‐Voltage Back‐to‐Back Converters for DER‐Dominated Distribution Systems

Medium‐voltage back‐to‐back (MVB2B) converters can connect two distribution systems and quantifiably transfer power between them. This function can enable the MVB2B converter to exchange distributed energy resource (DER)‐generated power between two systems and bring significant value to enhancing distribution system DER adoption. Our previous work analysed and demonstrated the value MVB2B converter can bring to DER integration. As continuous work, this paper presents a methodology that helps address the MVB2B converter sizing and location selection problem in distribution systems with high DER penetrations. The proposed methodology aims to address three critical problems for MVB2B converter implementation in the real world: (1) which distribution systems are better to be connected, (2) what converter size is appropriate for connecting the distribution systems, and (3) where the optimal connection points are in the systems for connecting the MVB2B converter. The proposed methodology has been demonstrated by case studies that include various scenarios involving distribution systems with different dominated load types and high photovoltaic penetrations. The results demonstrate that selecting the optimal converter size based on net revenue and time of return considerations leads to a balance between maximizing energy savings and minimizing financial payback periods. Furthermore, feeder pair selection based on load profile standard deviation effectively identifies systems that derive the greatest value from MVB2B integration. Finally, an optimized connection point selection approach using a voltage load sensitivity matrix ensures minimal system impact while facilitating efficient power exchange. These findings provide practical insights for the real‐world deployment of MVB2B converters to enhance DER hosting capacity and improve grid resilience.

14 SOLAR ENERGY↗
NASA NTRS2015

Complementary Aerodynamic Performance Datasets for Variable Speed Power Turbine Blade Section from Two Independent Transonic Turbine Cascades

Two independent experimental studies were conducted in linear cascades on a scaled, two-dimensional mid-span section of a representative Variable Speed Power Turbine (VSPT) blade. The purpose of these studies was to assess the aerodynamic performance of the VSPT blade over large Reynolds number and incidence angle ranges. The influence of inlet turbulence intensity was also investigated. The tests were carried out in the NASA Glenn Research Center Transonic Turbine Blade Cascade Facility and at the University of North Dakota (UND) High Speed Compressible Flow Wind Tunnel Facility. A large database was developed by acquiring total pressure and exit angle surveys and blade loading data for ten incidence angles ranging from +15.8deg to −51.0deg. Data were acquired over six flow conditions with exit isentropic Reynolds number ranging from 0.05×106 to 2.12×106 and at exit Mach numbers of 0.72 (design) and 0.35. Flow conditions were examined within the respective facility constraints. The survey data were integrated to determine average exit total-pressure and flow angle. UND also acquired blade surface heat transfer data at two flow conditions across the entire incidence angle range aimed at quantifying transitional flow behavior on the blade. Comparisons of the aerodynamic datasets were made for three "match point" conditions. The blade loading data at the match point conditions show good agreement between the facilities. This report shows comparisons of other data and highlights the unique contributions of the two facilities. The datasets are being used to advance understanding of the aerodynamic challenges associated with maintaining efficient power turbine operation over a wide shaft-speed range.

Cascade↗
NASA NTRS2015

Complementary Aerodynamic Performance Datasets for Variable Speed Power Turbine Blade Section from Two Independent Transonic Turbine Cascades

Two independent experimental studies were conducted in linear cascades on a scaled, two-dimensional mid-span section of a representative Variable Speed Power Turbine (VSPT) blade. The purpose of these studies was to assess the aerodynamic performance of the VSPT blade over large Reynolds number and incidence angle ranges. The influence of inlet turbulence intensity was also investigated. The tests were carried out in the NASA Glenn Research Center Transonic Turbine Blade Cascade Facility and at the University of North Dakota (UND) High Speed Compressible Flow Wind Tunnel Facility. A large database was developed by acquiring total pressure and exit angle surveys and blade loading data for ten incidence angles ranging from +15.8deg to −51.0deg. Data were acquired over six flow conditions with exit isentropic Reynolds number ranging from 0.05×106 to 2.12×106 and at exit Mach numbers of 0.72 (design) and 0.35. Flow conditions were examined within the respective facility constraints. The survey data were integrated to determine average exit total-pressure and flow angle. UND also acquired blade surface heat transfer data at two flow conditions across the entire incidence angle range aimed at quantifying transitional flow behavior on the blade. Comparisons of the aerodynamic datasets were made for three "match point" conditions. The blade loading data at the match point conditions show good agreement between the facilities. This report shows comparisons of other data and highlights the unique contributions of the two facilities. The datasets are being used to advance understanding of the aerodynamic challenges associated with maintaining efficient power turbine operation over a wide shaft-speed range.

Turbine↗
DOE OSTI2020

Thermal conductivity of rutile germanium dioxide

Power electronics seek to improve power conversion of devices by utilizing materials with a wide bandgap, high carrier mobility, and high thermal conductivity. Due to its wide bandgap of 4.5 eV, b-Ga 2 O 3 has received much attention for high-voltage electronic device research. However, it suffers from inefficient thermal conduction that originates from its low-symmetry crystal structure. Rutile germanium oxide (r-GeO 2 ) has been identified as an alternative ultra-wide-bandgap (4.68 eV) semiconductor with predicted high electron mobility and ambipolar dopability; however, its thermal conductivity is unknown. Here, we characterize the thermal conductivity of r-GeO 2 as a function of temperature by first-principles calculations, experimental synthesis, and thermal characterization. The calculations predict an anisotropic phonon-limited thermal conductivity for r-GeO 2 of 37W m –1 K –1 along the a direction and 58W m –1 K –1 along the c direction at 300K where the phonon-limited thermal conductivity predominantly occurs via the acoustic modes. Experimentally, we measured the value of 51W m –1 K –1 at 300K for hot-pressed, polycrystalline r-GeO2 pellets. The measured value is close to our directionally averaged theoretical value, and the temperature dependence of ~1/T is also consistent with our theory prediction, indicating that thermal transport in our r-GeO 2 samples at room temperature and above is governed by phonon scattering. Furthermore, our results reveal that high-symmetry UWBG materials, such as r-GeO 2 , may be the key to efficient power electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Performance Testing of an Integrated Magnetic Power Take-Off

A wave energy converter (WEC) and the power take-off (PTO) generator system can be represented by using a mass-spring-dampener model. By incorporating a negative stiffness spring within the PTO, the overall stiffness of the PTO can be lowered allowing the impedance of the PTO to be more closely matched with the WEC. By designing for impedance matching the WEC can greatly enhance its power generation capability. This project has involved the design, fabrication and testing of a new type of linear-stroke length and rotary stroke length adjustable negative stiffness magnetic springs for use within a wave energy converter (WEC). The magnetic springs were studied by using 3-D finite element analysis with the objective of creating high energy density and a long linear stroke length. After the construction and testing of both a proof-of-principle adjustable linear and rotary magnetic spring prototype the rotary (torsional) magnetic spring was selected for scaling up analysis. The selected scaled-up proof-of-principle magnetic spring had a peak torque of 850 Nm with a ±45 degree stroke length. By translating the inner rotor relative to the outer rotor, the stiffness could be adjusted to be either negative or positive stiffness. During this project a magnetic lead screw was also studied, and it was shown that by combining the magnetic lead screw with a linearly translating magnetic spring a very long rotary stroke length could be attained. However, as the magnetic lead screw increased complexity and reduced overall energy density relative to a rotary (torsional) spring, this design approach was not further pursed. Dynamometer testing of the variable stiffness magnetic springs was first completed by Portland State University and following this the magnetic spring performance was independently verified by Sandia National Laboratory (Sandia). A WEC analysis when using a variable stiffness magnetic spring was completed by using the WecOptTool. WecOptTool is an open-source WEC optimization software developed by Sandia that supports efficient power take-off (PTO) and control optimization. Wave condition data from the Oregon PacWave test-site was used in this study. The analysis showed that a WEC with a tunable stiffness value could consistently achieve about 80% of its maximum theoretical power production. The use of a tunable stiffness WEC, rather than zero-stiffness or a constant stiffness WEC was also shown to lead to a smaller maximum PTO force requirement. The variable stiffness magnetic spring was integrated into an experimental WEC developed by Sandia, called a Wave-Bot. Sandia successfully completed water-tank testing of the Wave-Bot at the Navy’s Carderock, Maryland, wave-basin test site. The wave-basin testing helped to experimentally demonstrate the operating capabilities and increased power generation capability of a WEC containing an integrated variable stiffness magnetic spring. A WEC capacity factor analysis was also completed. The capacity factor was defined as the ratio of annual average WEC generator power to the maximum (RMS) generated power. This capacity factor provided a means of identifying the ratio of potential revenue to cost. It was calculated that if a tunable variable stiffness magnetic spring has RMS constraints it could operate with a capacity factor above 30%. This is comparable to a wind turbine’s capacity factor.

16 TIDAL AND WAVE POWER↗
NASA NTRS2013

Aerodynamic Measurements of a Variable-Speed Power-Turbine Blade Section in a Transonic Turbine Cascade at Low Inlet Turbulence

Aerodynamic measurements obtained in a transonic linear cascade were used to assess the impact of large incidence angle and Reynolds number variations on the 3-D flow field and midspan loss and turning of a 2-D section of a variable-speed power-turbine (VSPT) rotor blade. Steady-state data were obtained for ten incidence angles ranging from +15.8 deg to −51.0 deg. At each angle, data were acquired at five flow conditions with the exit Reynolds number (based on axial chord) varying over an order-of-magnitude from 2.12×10(exp 5) to 2.12×10(exp 6). Data were obtained at the design exit Mach number of 0.72 and at a reduced exit Mach number of 0.35 as required to achieve the lowest Reynolds number. Midspan total-pressure and exit flow angle data were acquired using a five-hole pitch/yaw probe surveyed on a plane located 7.0 percent axial chord downstream of the blade trailing edge plane. The survey spanned three blade passages. Additionally, three-dimensional half-span flow fields were examined with additional probe survey data acquired at 26 span locations for two key incidence angles of +5.8 deg and −36.7 deg. Survey data near the endwall were acquired with a three-hole boundary-layer probe. The data were integrated to determine average exit total-pressure and flow angle as functions of incidence and flow conditions. The data set also includes blade static pressures measured on four spanwise planes and endwall static pressures. Tests were conducted in the NASA Glenn Transonic Turbine Blade Cascade Facility. The measurements reflect strong secondary flows associated with the high aerodynamic loading levels at large positive incidence angles and an increase in loss levels with decreasing Reynolds number. The secondary flows decrease with negative incidence as the blade becomes unloaded. Transitional flow is admitted in this low inlet turbulence dataset, making it a challenging CFD test case. The dataset will be used to advance understanding of the aerodynamic challenges associated with maintaining efficient power turbine operation over a wide shaft-speed range. deg

Flegel-McVetta, Ashlie B.↗
DOE OSTI2022

Demonstration of >6.0-kV Breakdown Voltage in Large Area Vertical GaN p-n Diodes With Step-Etched Junction Termination Extensions

Vertical gallium nitride (GaN) p-n diodes have garnered significant interest for use in power electronics where high-voltage blocking and high-power efficiency are of concern. In this article, we detail the growth and fabrication methods used to develop a large area (1 mm 2 ) vertical GaN p-n diode capable of a 6.0-kV breakdown. We also demonstrate a large area diode with a forward pulsed current of 3.5 A, an 8.3-mΩ$\cdot$cm 2 differential specific ON-resistance, and a 5.3-kV reverse breakdown. In addition, we report on a smaller area diode (0.063 mm 2 ) that is capable of 6.4-kV breakdown with a differential specific ON-resistance of 10.2 mΩ$\cdot$cm 2 , when accounting for current spreading through the drift region at a 45° angle. Finally, the demonstration of avalanche breakdown is shown for a 0.063-mm 2 diode with a room temperature breakdown of 5.6 kV. In this work, these results were achieved via epitaxial growth of a 50-μm drift region with a very low carrier concentration of <1×10 15 cm –3 and a carefully designed four-zone junction termination extension.

42 ENGINEERING↗
DOE OSTI2026

Framework for Modeling 3D-Printed Concrete Construction to Assess Energy Efficiency and Backup Power Trade-Offs in a Mixed-Use, New Construction Neighborhood Development

This paper presents a framework that expands the URBANopt(TM) modeling platform to include 3D-printed concrete wall assemblies and assess energy efficiency and backup power trade-offs in new housing developments. Applied to a planned mixed-use neighborhood in Oil City, Pennsylvania, the workflow integrates building energy and distributed energy resource (DER) modeling to evaluate envelope and equipment upgrades alongside DER operations. Results show that advanced 3D-printed envelopes combined with efficient systems and onsite photovoltaics (PV) and storage reduce energy use intensity and sustain critical loads during outages. The framework supports planning for emerging construction technologies by quantifying key trade-offs between energy efficiency and backup power performance.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2017

Coexistence of Low Damping and Strong Magnetoelastic Coupling in Epitaxial Spinel Ferrite Thin Films

Low‐loss magnetization dynamics and strong magnetoelastic coupling are generally mutually exclusive properties due to opposing dependencies on spin–orbit interactions. So far, the lack of low‐damping, magnetostrictive ferrite films has hindered the development of power‐efficient magnetoelectric and acoustic spintronic devices. Here, magnetically soft epitaxial spinel NiZnAl‐ferrite thin films with an unusually low Gilbert damping parameter (<3 × 10 −3 ), as well as strong magnetoelastic coupling evidenced by a giant strain‐induced anisotropy field (≈1 T) and a sizable magnetostriction coefficient (≈10 ppm), are reported. This exceptional combination of low intrinsic damping and substantial magnetostriction arises from the cation chemistry of NiZnAl‐ferrite. At the same time, the coherently strained film structure suppresses extrinsic damping, enables soft magnetic behavior, and generates large easy‐plane magnetoelastic anisotropy. These findings provide a foundation for a new class of low‐loss, magnetoelastic thin film materials that are promising for spin‐mechanical devices.

Emori, Satoru↗
DOE OSTI2024

Redox Gating for Colossal Carrier Modulation and Unique Phase Control

Redox gating, a novel approach distinct from conventional electrolyte gating, combines reversible redox functionalities with common ionic electrolyte moieties to engineer charge transport, enabling power-efficient electronic phase control. This study achieves a colossal sheet carrier density modulation beyond 10 16 cm -2 , sustainable over thousands of cycles, all within the sub-volt regime for functional oxide thin films. The key advantage of this method lies in the controlled injection of a large quantity of carriers from the electrolyte into the channel material without the deleterious effects associated with traditional electrolyte gating processes such as the production of ionic defects or intercalated species. The redox gating approach offers a simple and practical means of decoupling electrical and structural phase transitions, enabling the isostructural metal-insulator transition and improved device endurance. The versatility of redox gating extends across multiple materials, irrespective of their crystallinity, crystallographic orientation, or carrier type (n- or p-type). This inclusivity encompasses functional heterostructures and low-dimensional quantum materials composed of sustainable elements, highlighting the broad applicability and potential of the technique in electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Multispectral Quantitative Phase Imaging Using a Diffractive Optical Network

As a label‐free imaging technique, quantitative phase imaging (QPI) provides optical path length information of transparent specimens for various applications in biology, materials science, and engineering. Multispectral QPI measures quantitative phase information across multiple spectral bands, permitting the examination of wavelength‐specific phase and dispersion characteristics of samples. Herein, the design of a diffractive processor is presented that can all‐optically perform multispectral quantitative phase imaging of transparent phase‐only objects within a snapshot. The design utilizes spatially engineered diffractive layers, optimized through deep learning, to encode the phase profile of the input object at a predetermined set of wavelengths into spatial intensity variations at the output plane, allowing multispectral QPI using a monochrome focal plane array. Through numerical simulations, diffractive multispectral processors are demonstrated to simultaneously perform quantitative phase imaging at 9 and 16 target spectral bands in the visible spectrum. The generalization of these diffractive processor designs is validated through numerical tests on unseen objects, including thin Pap smear images. Due to its all‐optical processing capability using passive dielectric diffractive materials, this diffractive multispectral QPI processor offers a compact and power‐efficient solution for high‐throughput quantitative phase microscopy and spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of pressure and impurities on oxidation in supercritical CO 2

Abstract Both indirect‐ and direct‐fired supercritical CO 2 cycles for high‐efficiency power generation are expected to have impurities that may greatly alter the compatibility of Fe‐ and Ni‐based structural alloys in these environments. Recent work has attempted to quantify reaction rates at 750°C in simulated laboratory environments with controlled impurity levels at ambient pressure, as well as under supercritical conditions (30 MPa). With low impurity levels in research and industrial‐grade CO 2 , pressure appeared to have only a limited effect on oxide thickness and internal oxidation and reaction products were similar to those formed in laboratory air. However, a direct‐fired simulation at 750°C/30 MPa in CO 2 + 1%O 2 + 0.25%H 2 O has found an increased mass gain and characterization after 2,500‐hr exposures have found thicker reaction products, especially for Fe‐based alloys. At these impurity levels, pressure may have a significant effect on the role of impurities.

Pint, Bruce A.↗
DOE OSTI2018

Job Management with mpi_jm

About this book: This book constitutes the refereed post-conference proceedings of 13 workshops held at the 33rd International ISC High Performance 2018 Conference, in Frankfurt, Germany, in June 2018: HPC I/O in the Data Center, HPC-IODC 2018; Workshop on Performance and Scalability of Storage Systems, WOPSSS 2018; 13th Workshop on Virtualization in High­-Performance Cloud Computing, VHPC 2018; Third International Workshop on In Situ Visualization, WOIV 2018; 4th International Workshop on Communication Architectures for HPC, Big Data, Deep Learning and Clouds at Extreme Scale, ExaComm 2018; International Workshop on OpenPOWER for HPC, IWOPH 2018; IXPUG Workshop: Many-Core Computing on Intel Processors; Workshop on Sustainable Ultrascale Computing Systems; Approximate and Transprecision Computing on Emerging Technologies, ATCET 2018; First Workshop on the Convergence of Large-Scale Simulation and Artificial Intelligence; Third Workshop for Open Source Supercomputing, OpenSuCo 2018; First Workshop on Interactive High-Performance Computing; Workshop on Performance Portable Programming Models for Accelerators, P^3MA 2018. The 53 full papers included in this volume were carefully reviewed and selected from 80 submissions. They cover all aspects of research, development, and application of large-scale, high performance experimental and commercial systems. Topics include HPC computer architecture and hardware; programming models, system software, and applications; solutions for heterogeneity, reliability, power efficiency of systems; virtualization and containerized environments; big data and cloud computing; and artificial intelligence.

Berkowitz, Evan↗
DOE OSTI2024

Data-driven search for promising intercalating ions and layered materials for metal-ion batteries

The rise in demand for lithium-ion batteries has led to a large-scale search for electrode materials and intercalating ion species to meet the demands of next-generation energy technologies. Recent efforts largely focus on searching for cathodes that can accommodate large amounts of intercalating ions, but similar work on anodes is relatively limited. This study utilizes machine learning methods to find alternative two-dimensional (2D) materials and intercalating ions beyond Li for metal-ion batteries with high-power efficiencies. The approach first uses density functional theory (DFT) calculations to estimate the theoretical capacities and voltages of various metal ions on 2D materials. The DFT-generated data also provide insights into the local structural accommodation upon ion intercalation on various 2D materials. Significant changes to the lattice can result in irreversible changes to the bonding environments in the anode material, resulting in poor cycling stability. Next, this study develops a binding energy and structural accommodation-based classification model to screen anode materials for next-generation batteries. The classification model selects intercalating ions and 2D material pairs suitable for batteries based on the calculated voltage and volumetric changes in the 2D material upon intercalation. Finally, this study builds a regression model to accurately predict the binding energies of the various intercalating ions on 2D materials. The approach highlights the importance of different elemental and structural features for classification and regression tasks. In conclusion, the insights gained from this study on the role of involved features, such as electronegativities of the constituent ions and the presence of unfilled electronic levels, will help to streamline further studies towards the search for future layered battery materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Photonic generation of millimeter-wave ultra-wideband monocycle signal using up-conversion based on stimulated Brillouin scattering effect

We propose a novel scheme for photonic generation of millimeter-wave (MMW) ultra-wideband monocycle signal free of strong local oscillation (LO) and low-frequency component. A theory and a mathematical model are built to investigate the proposed scheme. Firstly, a differentiator is implemented using a dual-drive Mach–Zehnder modulator to attain monocycle pulses by differentiating a series of Gauss pulses. Subsequently, a dual-parallel Mach–Zehnder modulator and stimulated Brillouin scattering effect are employed to realize single-sideband modulation for up-converting the monocycle pulses to the MMW band. In the calculation, the generated signal is centered at 26 GHz with 10-dB bandwidth of 7 GHz and its power efficiency is about 50.08%. In addition, on–off keying modulation, amplitude modulation (PAM) and pulse position modulation monocycle pulses are generated. The spectrum of the generated signal meets with the FCC mask efficiently, so this technique has a potential application in MMW radar communication systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗