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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Current rectification based on noncentrosymmetric quantum materials

Rectification is a process that converts electromagnetic fields into direct current (DC). Such a process underlies a wide range of technologies, including wireless communication, wireless charging, energy harvesting, and infrared detection. Existing rectifiers are mostly based on semiconductor diodes, with limited applicability to small voltages or high frequency inputs. Here, we present an alternative approach to current rectification that uses the electronic properties of quantum crystals without semiconductor junctions. We identify a new mechanism for rectification from skew scattering due to the chirality of itinerant electrons in time-reversal-invariant but inversion-breaking materials. Our calculations reveal large, tunable rectification effects in graphene multilayers and transition metal dichalcogenides. These effects can be used in high-frequency rectifiers by rational material design and quantum wavefunction engineering.

Isobe, Hiroki↗
DOE OSTI2024

Dynamic Modeling of Power Conversion Stages for an Exascale Supercomputer

In this paper a power conversion and energy consumption model for an exascale supercomputer is investigated. Power consumption, energy loss and efficiency are derived for the 27.2 MW liquid-cooled, centralized, High Performance Computing (HPC) power system, which is supplied directly from the 480 V three-phase mains. Two energy conversion stages are analyzed, measured and modeled. The model is developed in order to be adapted and implemented in a digital twin platform utilizing a Resource Allocator and Power Simulator (RAPS) module. RAPS enables estimation of potential energy savings in the direct AC power supply architecture via both conventional rectifier load sharing (commonly used in HPC systems), as well as smart rectifier load sharing. Moreover, besides the direct AC supply architecture analysis, the full direct DC supply architecture with with 1 kV DC bus were also studied. Comparison of 10 hour time frame operation of the system, with direct 480 V AC voltage supply with conventional and smart load sharing and medium dc voltage supply were done. For the direct AC supply architecture, with conventional and smart load sharing the predicted power loss was approximately 840 kW and 820 kW, respectively and the predicted total system efficiency was 92.87% and 93.05%, respectively. For the direct DC supply architecture with the 1000 V DC supply bus power loss was approximately 340 kW and the predicted total system efficiency was 97.02%.

Wojda, Rafal↗
DOE OSTI2024

Analysis of AC-DC Converters for Grid-tied High Temperature Steam Electrolysis Systems

Grid-tied HTSE systems have the prospects to produce clean hydrogen enabling power and broad energy systems decarbonization. Most commercially available power electronic converter systems (PECS) are designed for batteries, solar PVs, wind, and other well-established renewable energy resources. Standards (such as IEEE 1547, UL 1741, CA Rule-21, HI Rule-14) exist for PECS used for renewable energy systems such as battery storage and solar PVs. However, those that consider the dynamic behavior of HTSEs and that can be used for large-scale H2 systems are yet to be developed. This paper investigates the performance of these PECS for the HTSE application that are set up at the Idaho National Laboratory for hydrogen production testing, research and development. In particular, the performance analysis of two grid-tied PECS (A and B) is conducted for a 100 kW solid oxide HTSE system. System A consists of 6 units of 30kW MOSFET-switched bidirectional AC-DC rectifier while system B has a single unit of 150kW thyristor-switched ACDC rectifier. Both systems are connected to the HTSE stacks via a DC-DC converter. Different operational conditions of the HTSE system are tested to analyze the dynamic response of the HTSE’s PECS. The experimental results show the need to develop advanced control strategies for PECS that incorporates the dynamics of HTSE systems for improved performance.

08 - HYDROGEN↗
DOE OSTI2025

Analysis of AC-DC Converters for Grid-tied High Temperature Steam Electrolysis Systems

Grid-tied HTSE systems have the prospects to produce clean hydrogen enabling power and broad energy systems decarbonization. Most commercially available power electronic converter systems (PECS) are designed for batteries, solar PVs, wind, and other well-established renewable energy resources. Standards (such as IEEE 1547, UL 1741, CA Rule-21, HI Rule14) exist for PECS used for renewable energy systems such as battery storage and solar PVs. However, those that consider the dynamic behavior of HTSEs and that can be used for large-scale H2 systems are yet to be developed. This paper investigates the performance of these PECS for the HTSE application that are set up at the Idaho National Laboratory for hydrogen production testing, research and development. In particular, the performance analysis of two grid-tied PECS (A and B) is conducted for a 100 kW solid oxide HTSE system. System A consists of 6 units of 30kW MOSFET-switched bidirectional AC-DC rectifier while system B has a single unit of 150kW thyristor-switched AC-DC rectifier. Both systems are connected to the HTSE stacks via a DC-DC converter. Different operational conditions of the HTSE system are tested to analyze the dynamic response of the HTSE’s PECS. The experimental results show the need to develop advanced control strategies for PECS that incorporates the dynamics of HTSE systems for improved performance.

High temperature steam electrolysis↗
DOE OSTI2020

A compact mechanical power take-off for wave energy converters: Design, analysis, and test verification

Power Take-off (PTO) is one of the most critical components in the ocean wave conversion. This paper introduces an innovative compact mechanical PTO using a ball screw mechanism and a Mechanical Motion Rectifier (MMR) to improve the energy conversion performance. The proposed MMR PTO converts bidirectional oscillatory motion of the ocean waves into unidirectional rotation. The detailed design and working principle of the MMR PTO are explicitly explained. Dynamic analysis is presented for the three most important factors that influence the performance, including the equivalent mass, the equivalent damping, and the excitation frequency. The analytical relationship between these factors and the disengaged freewheeling motion caused by the MMR mechanism is derived, and the analytical solution is verified through dry lab testing. Experimental results in bench tests show that compared with the traditional linear PTO which use the ball screw to drive the generator directly, the MMR PTO is more efficient because of the unique freewheeling motion, achieving a maximum 81.2% energy transfer efficiency. After integrating the prototype PTO with a single-body point absorber type of wave energy converter, testing in a water tank yields total PTO efficiency up to 62.4%, showing a very promising potential for real applications.

16 TIDAL AND WAVE POWER↗
DOE OSTI2023

The BiDFET Device and Its Impact on Converters

The matrix converter topology for direct ac-to-ac conversion offers elimination of the bulky and unreliable D.C. link capacitors used in the popular Voltage-Source Inverter (VSI) with a front-end rectifier. The resulting more compact and higher efficiency implementation is a desirable solution for a wide variety of applications, such as photovoltaic energy generation, motor drives, and energy storage systems. The development of matrix converters has been hampered by the lack of availability of commercial bidirectional power switches with the ability to block high voltages in the first and third quadrants, carry on state current in both quadrants with low voltage drop, exhibit large forward-biased safe-operating-area (FBSOA), and low switching power losses. Consequently, many implementations have been tried in the past using discrete devices, as listed in Table I. Two implementations utilize commonly available asymmetric blocking IGBTs, while two cases make use of SiC power MOSFETs. They generally have a large parts count (4-6 individual switches) that occupies significant space in the converter where multiple bi-directional switches are required. They also have a high on-state voltage drop that degrades efficiency. As a result, one implementation utilizes symmetric blocking IGBT to achieve a low parts count (2), but its switching losses are unacceptably high.

42 ENGINEERING↗
DOE OSTI2020

Effect of the Electric Field Strength on the Energy Resolution of Cr/CdTe/Pt Detectors

The electrical and spectrometric characteristics of the Cr/cadmium telluride (CdTe)/Pt structure with a metal-semiconductor type rectifying contact, used in X/γ-ray detectors, are investigated. For the detectors fabrication, chlorine-doped CdTe crystals with a resistivity of (3-6) × 10 9 Ω cm at 293 K were used. 137Cs spectra and their modification by applied voltage change were obtained. The reverse bias voltage corresponding to the best energy resolution of the Cr/CdTe/Pt structure is experimentally determined. The concentration of impurities N in the crystal, which determines the thickness of the space-charge region, is estimated. Finally, an energy resolution deterioration of the Cr/CdTe/Pt structure with increasing voltage is explained due to the Gunn effect.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

A Bulk-Capacitance Reduction Method Using Self-Driven Thyristor for AC-DC Converters

Universal serial bus power delivery (USB-PD) fast chargers equipped with wide-bandgap devices are driven to higher power density and efficiency. Furthermore, the indispensable high-voltage bulk capacitors used to smooth the rectifier output could take 40% of the total system volume due to the large capacitance value required. This paper discussed a capacitor reduction method using a self-driven thyristor scheme comprised of only three components in total. No extra control circuit is needed. Circuit analysis and design equations are presented, and the design results are implemented in a 60-W GaN-based active-clamp flyback converter. The measurement results on the prototype show a 36.4% reduction of the bulk-capacitor size with similar efficiency compared to the conventional solution.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Bidirectional LCC-LCC -Compensated 20 kW Wireless Power Transfer System for Medium-Duty Vehicle Charging

This paper presents the design and demonstration of a bidirectional 20 kW wireless charging system (WCS) with a significantly large airgap (11 inches) and asymmetrical input-output voltage levels. Analytical and experimental sensitivity analyses of the WCS resonant tank were conducted to verify the optimal operating region under the load and frequency variation. The inverter and rectifier were designed with switching components, the charging pads were designed with double-D (DD) coils, and the tuning networks were designed with an LCC-LCC tuning circuit. The grid and vehicle side tuning circuits were designed separately to achieve a ~1:2 gain for the asymmetrical input (800 V dc ) and output (350 V dc ) voltage. The proposed WCS was designed, simulated, and tested to verify the efficiency, power transfer capacity, and sensitivity under load variation. The experimental results show that, at 20-kW output power, the achieved grid to vehicle dc-dc efficiency was 96.1%, and vehicle to grid dc-dc efficiency was 96.2%. The proposed system is the largest-airgap bidirectional WCS with the highest efficiency and power density.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

UMass 2-Body WEC Techno-Economic Assessment

The University of Massachusetts (UMass) is developing a 2-body wave energy converter (WEC) device that is converting mechanical power into electricity using a mechanical motion rectifier that allows the system to couple to a flywheel. UMass has completed numerical modeling, wave tank testing, and PTO sub-system testing and needed assistance in developing a techno-economic model to enable optimization of their topology, comparison to a generic heaving point absorber topology, and guide the next steps in their development efforts. The core objective was to develop a techno-economic approach and modeling tool that allows benchmarking of the two topologies across a wide range of scales to evaluate their respective competitiveness in different application spaces. This data includes the final report as well as a supporting spreadsheet containing the data produced for this report.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Perovskite Grown in Gallium Nitride Nanowire Matrix for Stable and High‐Efficiency X‐Ray Detection

High-quality quasi-2D perovskites in a GaN nano-wire matrix are grown to build a 3D hetero-structure for high-performance X-ray sensing. In the 3D hetero-structure, GaN nano-wire matrix serves as an n-type charge collector that can rapidly extract carriers through the bulk film of the perovskite layer. Together with a p-type top electrode, a p–i–n diode with the 3D hetero-structure is built, that exhibits a rectified current–voltage characteristic. After analyzing the interface energy alignment, it is found that the fermi levels of the perovskite and GaN are aligned in the dark, and a quasi-fermi level splits upon illumination, introducing a built-in electrical field at the interface. As a result, strong photo-induced current is observed from the diode without an external field. Finally, the 3D diode for X-ray detection demonstration is used, revealing a sensitivity of 308.9 µC Gy air -1 cm -2 at an exceptionally low applied field of 0.125 V µm -1 . The X-ray-induced signal from the 3D diode is stable after 155 cycles of X-ray irradiation under a constant electric field. This demonstration informs a new 3D architecture for high-performance X-ray sensing, and it shows that GaN is a robust n-type interface for perovskite optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Unexpected Giant Microwave Conductivity in a Nominally Silent BiFeO 3 Domain Wall

Nanoelectronic devices based on ferroelectric domain walls (DWs), such as memories, transistors, and rectifiers, have been shown in recent years. Practical high-speed electronics, on the other hand, usually demand operation frequencies in the gigahertz (GHz) regime, where the effect of dipolar oscillation is important. Herein, an unexpected giant GHz conductivity on the order of 10 3 S m -1 is observed in certain BiFeO 3 DWs, which is about 100 000 times greater than the carrier-induced direct current (dc) conductivity of the same walls. Surprisingly, the nominal configuration of the DWs precludes the alternating current (ac) conduction under an excitation electric field perpendicular to the surface. Theoretical analysis reflects that the inclined DWs are stressed asymmetrically near the film surface, whereas the vertical walls in a control sample are not. The resultant imbalanced polarization profile can then couple to the out-of-plane microwave fields and induce power dissipation, which is confirmed by the phase-field modeling. Since the contributions from mobile-carrier conduction and bound-charge oscillation to the ac conductivity are equivalent in a microwave circuit, the research on local structural dynamics may open a new avenue to implement DW nano-devices for radio-frequency applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Estimating dermal contact soil exposure for amphibians

Abstract Chemical exposure estimation through the dermal route is an underemphasized area of ecological risk assessment for terrestrial animals. Currently, there are efforts to create exposure models to estimate doses from this pathway for use in ecological risk assessment. One significant limitation has been insufficient published data to characterize exposure and to support the selection and parameterization of appropriate models, particularly for amphibians in terrestrial habitats. Recent publications measuring pesticide doses to terrestrial‐phase amphibians have begun to rectify this situation. We collated and summarized available measurements of terrestrial amphibian dermal exposure to pesticides from 11 studies in which researchers measured tissue concentrations associated with known pesticide experimental application rates. This data set included tissue concentrations in 11 amphibian species and 14 different pesticides. We then compared the results of two screening exposure models that differed based on surface area scaling approaches as a function of body weight (one based on birds as surrogates for amphibians and another amphibian‐specific) to the measured tissue residue concentrations. We define a false‐negative rate for each screening model as the proportion of amphibians for which the predicted concentration is less than the observed concentration (i.e., underestimate), contrary to the intent of screening models, which are intended to have a bias for higher exposure concentrations. The screening model that uses birds as surrogates did not have any instances where estimated expected avian doses were less than measured amphibian body burdens. When using the amphibian‐specific exposure model that corrected for differences between avian and amphibian surface area, measured concentrations were greater than model estimates for 11.3% of the 1158 comparisons. The database of measured pesticide concentrations in terrestrial amphibians is provided for use in calculating bioconcentration factors and for future amphibian dermal exposure model development. Integr Environ Assess Manag 2023;19:9–16. © 2022 SETAC. This article has been contributed to by U.S. Government employees and their work is in the public domain in the USA.

Environmental Sciences & Ecology↗
DOE OSTI2020

Detecting anomalous packets in network transfers: investigations using PCA, autoencoder and isolation forest in TCP

Large-scale scientific workflows rely heavily on high-performance file transfers. These transfers require strict quality parameters such as guaranteed bandwidth, no packet loss or data duplication. To have successful file transfers, methods such as predetermined thresholds and statistical analysis need to be done to determine abnormal patterns. Network administrators routinely monitor and analyze network data for diagnosing and alleviating these, making decisions based on their experience. However, as networks grow and become complex, monitoring large data files and quickly processing them, makes it improbable to identify errors and rectify these. Abnormal file transfers have been classified by simply setting alert thresholds, via tools such as PerfSonar and TCP statistics (Tstat). This paper investigates the feasibility of unsupervised feature extraction methods for identifying network anomaly patterns with three unsupervised classification methods—principal component analysis, autoencoder and isolation forest. Here, we collect file transfer statistics from two experiment sets—synthetic iPerf generated traffic and 1000 Genome workflow runs, with synthetically introduced anomalies. Our results show that while PCA and a simple autoencoder finds it difficult to detect clusters, the tree-variant isolation forest is able to identify anomalous packets by breaking down TCP traces into tree classes early.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Evaluating the benefits of kinetic Monte Carlo and microkinetic modeling for catalyst design studies in the presence of lateral interactions

Popular computational catalyst design strategies rely on the identification of reactivity descriptors, which can be used along with Brønsted–Evans–Polanyi (BEP) and scaling relations as input to a microkinetic model (MKM) to make predictions for activity or selectivity trends. The main benefit of this approach is related to the inherent dimensionality reduction of the large material space to just a few catalyst descriptors. Conversely, it is well documented that a small set of descriptors is insufficient to capture the intricacies and complexities of a real catalytic system. The inclusion of coverage effects through lateral adsorbate-adsorbate interactions can narrow the gap between simplified descriptor predictions and real systems, but mean-field MKMs cannot properly account for local coverage effects. This shortcoming of the mean-field approximation can be rectified by switching to a lattice-based kinetic Monte Carlo (kMC) method using cluster expansion representation of adsorbate–adsorbate lateral interactions. Using the prototypical CO oxidation reaction as an example, we critically evaluate the benefits of kMC over MKM in terms of trend predictions and computational cost when using only a small set of input parameters. After confirming that in the absence of lateral interactions the kMC and MKM approaches yield identical trends and mechanistic information, we observed substantial differences between the two kinetic models when lateral interactions were introduced. Here, the mean-field implementation applies coverage corrections directly to the descriptors, causing an artificial overprediction of the activity of strongly binding metals. In contrast, the cluster expansion in kMC implementation can differentiate among the highly active metals but it is very sensitive to the set of included interaction parameters. Considering that computational screening relies on a minimal set of descriptors, for which MKM makes reasonable trend predictions at a ca. three orders of magnitude lower computational cost than kMC, the MKM approach does provide a better entry point for computational catalyst design.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Performance analysis and tank test validation of a hybrid ocean wave-current energy converter with a single power takeoff

This paper introduces a hybrid ocean wave-current energy converter (HWCEC) that harvests energy from ocean waves and current simultaneously with a single power takeoff (PTO). Specifically, the wave energy is extracted through relative heaving motion between a floating buoy and a submerged second body, while the current energy is extracted using a marine current turbine (MCT). Energy from both sources are integrated by a hybrid PTO whose concept is based on a mechanical motion rectifier (MMR). The hybrid PTO with two one-way clutches converts bidirectional, up-and-down motion from the waves into unidirectional rotation of the generator. Meanwhile a third one-way clutch couples the MCT with the same generator. The wave and current can simultaneously or separately drive the same generator through different engagement and disengagement statuses of the one-way clutches. Time-domain simulation is conducted with hydrodynamic coefficients obtained from computational fluid dynamics analysis and boundary element method. Tank tests were conducted for a HWCEC under co-existing wave and current inputs. For comparison, separate baseline tests of a turbine and a two-body point absorber, each acting in isolation, are conducted. Experimental results validate the dynamic modeling and show that a HWCEC can increase the output power with a range between 29-87% over either current turbine and wave energy converter acting individually, and it can reduce by up to 70% the peak-to-average power ratio compared with the wave energy converter on the tested conditions.

16 TIDAL AND WAVE POWER↗
DOE OSTI2021

Insights into the thermal decomposition of plutonium(IV) oxalate – a DFT study of the intermediate structures

The thermal decomposition of plutonium oxalate to oxide is one of the most studied reactions in actinide chemistry but the intermediates have been the subject of debate for decades. Recent experimental data suggest that the decomposition of Pu(IV) oxalate in air undergoes dehydration first, then reduction to Pu(III) oxalate. The precise structural modifications that take place are unknown as experiments have not been able to fully characterize the intermediates at the microscopic level. To rectify this, we employed solid state density functional theory calculations at the PBE-D3 level with a Hubbard U correction to model the structures and energetics of potential dehydrated Pu(IV) and Pu(III) oxalate intermediate compounds. Based on the theoretical study presented here, the anhydrous analogues of the known hydrated Pu(IV) and Pu(III) oxalates are the preferred crystal structures formed through an overall exothermic reaction process. However, decomposition could proceed through the formation of a higher energy, more complicated 3D lattice structure with frustrated oxalate binding. It is expected that the intermediates presented here could be identified using spectroscopic techniques to enable further insight into the reaction mechanism.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Nanoindentation mapping defects filtration for heterogeneous materials using generative adversarial networks

Advanced composite materials with multiple phases and heterogeneous microstructure necessitate spatial mapping characterization of elastic modulus to develop constitutive relations and overall mechanical response. Such modulus mapping can be obtained using the nanoindentation technique, where the indenter tip raster over the selected microstructure region. Typically, a surface preparation procedure is done in the specimens to ensure proper contact between the indenter tip and sample surface. However, a near-perfect surface finish is unachievable in heterogeneous materials, primarily with ceramic reinforcements, due to the differential material removal rate during polishing. Thus, the nanoindenter records localized erroneous measurements due to differences in surface roughness and corresponding force response. This study establishes a novel deep learning-based strategy to rectify incorrect experimental spatial measurements acquire during nanoindentation modulus mapping. Here, the integrated bicubic interpolation and generative adversarial networks (GANs) model was trained using 14 ceramic and 18 metallic data sets, each comprising 65,536 measurements. The developed algorithm was validated against experimental measurements on four unknown specimens. The standard deviation in measured elastic modulus reduces by ~50% in ceramics and ~72% in metallic samples. This computational framework proposes a novel approach to reducing uncertainty in materials’ properties using state-of-the-art computer vision techniques.

36 MATERIALS SCIENCE↗