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At least 469 records · Page 26

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Hydrogen Sulfide Passivation for p-Type Passivated Emitter and Rear Contact Solar Cells

This work reports on the application of sulfur (S)-passivation to passivated emitter and rear contact (PERC) solar cells. The emitter surface was passivated by hydrogen sulfide (H 2 S) gas phase reaction and capped by a hydrogenated amorphous silicon nitride (a-SiN x :H) layer. The sulfur passivation on a symmetrically n + diffused emitter is shown to lead to an emitter saturation current density (J 0n+ ) of 30 fA/cm 2 at R sheet,n+ ≈ 100 Ω/sq. The application of S-passivation to the emitter surface in the PERC cell structure, with the rear surface passivated by an aluminum oxide (Al 2 O 3 )/a-SiN x :H stack, showed a promising implied open-circuit voltage (iV OC ) of 686 mV before metallization. This iV OC was higher than that for the a-SiN x :H or SiO 2 /a-SiN x :H passivated emitter surfaces (675 and 674 mV, respectively) on PERC cells processed in the same run. However, a significant drop in cell V OC is observed for the S-passivated PERC cell after the completion of device fabrication with laser patterning, screen-printed metal contact deposition, and firing. Nonetheless, an efficiency of ~20% and a V OC of ~650 mV was achieved with an emitter surface passivated by sulfur. We identified that the 760°C contact firing process degrades the S-passivation quality. Furthermore, the surface morphology was studied, and a detailed surface analysis was performed to study the causes of the S-passivated surface degradation.

14 SOLAR ENERGY↗

DOE OSTI2022

MECHANICAL PERFORMANCE EVALUATION OF THE PRINTED CIRCUIT HEAT EXCHANGER CORE EXPERIMENTS UNDER TENSION AND PRESSURE LOADING

The printed circuit heat exchanger (PCHE) has small channels with high surface area, making them an efficient solution for next-generation nuclear plants (NGNPs). These PCHEs are fabricated through a diffusion bonding process. This fabrication step changes the microstructure of wrought metal plates. The current ASME design code does not support the PCHE design for NGNPs due to a lack of test data. Hence, there has been initiative towards elevated temperature mechanical property characterization of the diffusion bonded material. One of the most common channel shapes is a semicircular channel with sharp corners. These corners act as a stress riser at the diffusion bonding interface. Evaluating elevated temperature mechanical performance of diffusion bonded material in the presence of stress risers is an essential step towards the ASME code development of PCHE design. This study selected two specimen geometries: the first is a PCHE bar specimen for tensile loading with three rows and three columns of channels, and the second is a lab-scaled PCHE with six rows and eight columns of channels. A set of elevated temperature monotonic and cyclic tests were conducted on the PCHE bar specimen to evaluate the mechanical performance under axial tensile loadings to study the failure mechanism. The lab-scaled PCHE specimens were tested under overpressure loads at room temperature, and pressure creep and pressure creep-fatigue loadings to mimic the realistic loading conditions observed in typical NGNPs. The X-ray scans of channeled specimens show interesting observations. The test results and observations are presented in the paper.

36 MATERIALS SCIENCE↗

NASA NTRS1996

A Comprehensive Analysis of the Physical Properties of Advanced GaAs/AlGaAs Junctions

Extensive studies have been performed on MQW junctions and structures because of their potential applications as avalanche photodetectors in optical communications and imaging systems. The role of the avalanche photodiode is to provide for the conversion of an optical signal into charge. Knowledge of junction physics, and the various carrier generation/recombination mechanisms, is crucial for effectively optimizing the conversion process and increasing the structure's quantum efficiency. In addition, the recent interest in the use of APDs in imaging systems has necessitated the development of semiconductor junctions with low dark currents and high gains for low light applications. Because of the high frame rate and high pixel density requirements in new imaging applications, it is necessary to provide some front-end gain in the imager to allow operation under reasonable light conditions. Understanding the electron/hole impact ionization process, as well as diffusion and surface leakage effects, is needed to help maintain low dark currents and high gains for such applications. In addition, the APD must be capable of operating with low power, and low noise. Knowledge of the effects of various doping configurations and electric field profiles, as well as the excess noise resulting from the avalanche process, are needed to help maintain low operating bias and minimize the noise output.

Menkara, Hicham M.↗

NASA NTRSDate not supplied

Picometer-level metrology of test articles on the road to Habitable Worlds Observatory

The Habitable Worlds Observatory will revolutionize our understanding of the universe by directly detecting biosignatures on extrasolar planets and allow us to answer the question if we are alone in the universe. To accomplish the tight science goals associated with this mission, the development of an ultrastable observatory with a coronagraphic instrument is necessary. The observatory itself may need to stay stable on the order of 10 picometers over a wavefront control cycle, orders of magnitude more stable than what is required on current space missions. The metrology to verify stability requirements must be roughly a factor of ten more stable. The ultrastable laboratory at NASA’s Goddard Space Flight Center has further stabilized its testbed to allow for dynamic measurements on diffuse and specular objects on the order of single picometers, and we are currently measuring drifts on the orders of tens of picometers over different temporal bands. This paper will discuss the mechanical updates to the testbed setup, the analysis performed on several test articles, and the path forward on the road to measuring achieving the required stability for Habitable Worlds Observatory.

Inteferometry↗

NASA NTRSDate not supplied

Picometer-Level Metrology of Test Articles on the Road to Habitable Worlds Observatory

Inteferometry↗

NASA NTRSDate not supplied

Picometer-Level Metrology on the Road to Habitable Worlds Observatory

Inteferometry↗

DOE OSTI2020

Cluster dynamics simulation of xenon diffusion during irradiation in UO 2

Diffusion of fission gas in UO 2 nuclear fuel impacts several important performance metrics, such as fission gas release, swelling, and thermal conductivity. Current empirical models of fission gas release have significant uncertainty, some of which derives from the bulk diffusion rate and its dependence on, for example, fuel chemistry and irradiation. In this work, we have applied the previously-developed Free Energy Cluster Dynamics (FECD) methodology in the code Centipede to calculate xenon cluster concentrations in UO 2 under intrinsic (high temperature) and irradiation-enhanced (intermediate temperature) conditions in order to develop a model of the xenon diffusion coefficient based on the atomic scale mechanisms responsible for transport. While the diffusion mechanism for xenon in UO 2 is adequately described by the Xe + U 2 O vacancy cluster for intrinsic conditions, a similar process is not capable of capturing measured in-pile fission gas diffusivity at intermediate temperatures. Therefore, a different diffusion mechanism must dominate under this regime. Using calculated atomistic data, we have shown that irradiation-enhanced diffusion at intermediate temperatures occurs via the larger Xe + U 4 O y vacancy clusters, which have lower migration barriers and increase in concentration by several orders of magnitude compared to intrinsic conditions. This mechanism is enabled by the increased uranium vacancy concentration under irradiation due to Frenkel pair production. In addition, the fast migration of uranium interstitials with two attached oxygen interstitials lowers the total uranium interstitial concentration through reactions with sinks. This allows the extended defects, such as Xe + U 4 O y vacancy clusters, to maintain high concentrations by limiting annihilation with attached vacancies. Furthermore, predictions using the Xe + U 4 O y diffusion mechanism are in good agreement with experiment, albeit with some differences in the Arrhenius slope, which we believe may be related to either experimental or model parameter uncertainty. Lastly, an analytical expression suitable for application in fuel performance simulations was derived to capture the predictions of the Centipede simulations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Switching CO 2 Electroreduction Selectivity Between C 1 and C 2 Hydrocarbons on Cu Gas-Diffusion Electrodes

We report that regulating the selectivity toward a target hydrocarbon product is still the focus of CO 2 electroreduction. Here, we discover that the original surface Cu species in Cu gas-diffusion electrodes plays a more important role than the surface roughness, local pH, and facet in governing the selectivity toward C 1 or C 2 hydrocarbons. The selectivity toward C 2 H 4 progressively increases, while CH 4 decreases steadily upon lowering the Cu oxidation species fraction. At a relatively low electrodeposition voltage of 1.5 V, the Cu gas-diffusion electrode with the highest Cu δ+ /Cu 0 ratio favors the pathways of hydrogenation to form CH 4 with maximum Faradaic efficiency of 65.4% and partial current density of 228 mA cm -2 at -0.83 V vs RHE. At 2.0 V, the Cu gas-diffusion electrode with the lowest Cu δ+ /Cu 0 ratio prefers C–C coupling to form C 2+ products with Faradaic efficiency topping 80.1% at -0.75 V vs RHE, where the Faradaic efficiency of C 2 H 4 accounts for 46.4% and the partial current density of C 2 H 4 achieves 279 mA cm -2 . This work demonstrates that the selectivity from CH 4 to C 2 H 4 is switchable by tuning surface Cu species composition of Cu gas-diffusion electrodes.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Advances in physics and applications of 3D magnetic perturbations on the J-TEXT tokamak

In the last two years, three major technical improvements have been made on J-TEXT in supporting of the expanded operation regions and diagnostic capabilities. (1) The successful commission of the 105 GHz/500 kW/1 s electron cyclotron resonance heating (ECRH) system increasing the core electron temperature from 0.9 keV up to around 1.5 keV. (2) The poloidal divertor configuration with an X-point in the high-field side has been achieved. In particular, the 400 kW electron cyclotron wave has also been successfully injected into the diverted plasma. (3) A 256-channel electron cyclotron emission imaging diagnostic system and two sets of four-channel Doppler backscattering diagnostics have been successfully developed on J-TEXT, allowing detailed measurement of the electron temperature and density fluctuations for turbulence and MHD research. The locked mode (LM), especially the 2/1 LM, is one of the biggest threats to the plasma operation. Both the thresholds of 2/1 and 3/1 LM are observed to vary non-monotonically on electron density. The electrode biasing was applied successfully to unlock the LM from either a rotating or static resonant magnetic perturbation (RMP) field. In the presence of 2/1 LM, three kinds of standing wave (SW) structures have been observed to share a similar connection to the island structure, i.e. the nodes of the SWs locate around the O- or X-points of the 2/1 island. The control and mitigation of disruption is essential to the safe operation of ITER, and it has been systematically studied by applying a RMP field, massive gas injection (MGI) and shattered pellet injection on J-TEXT. When the RMP-induced 2/1 LM is larger than a critical width, the MGI shutdown process can be significantly influenced. If the phase difference between the O-point of LM and the MGI valve is +90° (or –90°), the penetration depth and the assimilation of impurities can be enhanced (or suppressed) during the pre-thermal quench (TQ) phase and result in a faster (or slower) TQ. A secondary MGI can also suppress the runaway electron (RE) generation, if the additional high-Z impurity gas arrives at the plasma edge before TQ. When the secondary MGI has been applied after the formation of the RE current plateau, the RE current can be dissipated, and the dissipation rate increases with the injected impurity quantity but saturates with a maximum of 28 MA s –1 . The non-local transport is experimentally observed in the ion transport channel. The electron thermal diffusivity significantly increases with the ECRH power. Theoretical work shows that significant intrinsic current can be driven by electromagnetic turbulence, and the robust formation mechanism of the E × B staircase is identified from the Hasegawa–Wakatani system.

divertor↗

DOE OSTI2022

Passive and active peer effects in the spatial diffusion of residential solar panels: A case study of the Las Vegas Valley

This research analyzes the role of peer influences on the adoption of residential rooftop solar photovoltaic panels (PV) within the context of the Diffusion of Innovation Theory. PV literature indicates that adopters are influenced by word of mouth (WOM) information exchange with peers, i.e., active peer effects, while other studies suggest that living near households with visible rooftop PV installations influences adoption, i.e., passive peer effects. We bridge the gap in this literature by conducting a mixed methods analysis. We develop and administer a survey to Las Vegas Valley (LVV) residents to identify current and potential PV adopters' perceptions of peer-effects and consumer intention variables. We conduct a spatial analysis of Google's Project Sunroof data to identify LVV neighborhoods in the later stages of the PV diffusion process, i.e., those with the highest PV adoption rates. Key results show that current PV adopters living in early diffusion areas report significantly higher active and passive peer effects compared to adopters in later diffusion areas. Potential adopters in later diffusion areas report higher passive peer effects than those in early diffusion areas. Overall, because LVV has a low PV adoption rate (<3%), short term strategies aimed at increasing PV adoption should emphasize WOM active peer effects. Here, we caution against long-term green marketing strategies focusing solely on peer-effects as the PV market matures.

14 SOLAR ENERGY↗

NASA NTRS2018

The Role of the Parallel Electric Field in Electron-Scale Dissipation at Reconnecting Currents in the Magnetosheath

We report observations from the Magnetospheric Multiscale satellites of reconnecting current sheets in the magnetosheath over a range of outofplane "guide" magnetic field strengths. The currents exhibit nonideal energy conversion in the electron frame of reference, and the events are within the ion diffusion region within close proximity (a few electron skin depths) to the electron diffusion region. The study focuses on energy conversion on the electron scale only. At low guide field (antiparallel reconnection), electric fields and currents perpendicular to the magnetic field dominate the energy conversion. Additionally, electron distributions exhibit significant nongyrotropy. As the guide field increases, the electric field parallel to the background magnetic field becomes increasingly strong, and the electron nongyrotropy becomes less apparent. We find that even with a guide field less than half the reconnecting field, the parallel electric field and currents dominate the dissipation. This suggests that parallel electric fields are more important to energy conversion in reconnection than previously thought and that at high guide field, the physics governing magnetic reconnection are significantly different from antiparallel reconnection.

Wilder, F. D.↗

DOE OSTI2022

A self-consistent hybrid model of kinetic striations in low-current argon discharges

A self-consistent hybrid model of standing and moving striations was developed for low-current DC discharges in noble gases. We introduced the concept of surface diffusion in phase space ( r , u ) (where u denotes the electron kinetic energy) described by a tensor diffusion in the nonlocal Fokker–Planck kinetic equation for electrons in the collisional plasma. Electrons diffuse along surfaces of constant total energy ε = u - eφ ( r ) between energy jumps in inelastic collisions with atoms. Numerical solutions of the 1d1u kinetic equation for electrons were obtained by two methods and coupled to ion transport and Poisson solver. We studied the dynamics of striation formation in Townsend and glow discharges in argon gas at low discharge currents using a two-level excitation-ionization model and a ‘full-chemistry’ model, which includes stepwise and Penning ionization. Standing striations appeared in Townsend and glow discharges at low currents, and moving striations were obtained for the discharge currents exceeding a critical value. These waves originate at the anode and propagate towards the cathode. We have seen two types of moving striations with the two-level and full-chemistry models, which resemble the s and p striations previously observed in the experiments. Simulations indicate that processes in the anode region could control moving striations in the positive column plasma. The developed model helps clarify the nature of standing and moving striations in DC discharges of noble gases at low discharge currents and low gas pressures.

Physics↗

DOE OSTI2021

Modelling a compressible packed bed flow-through washing and deacetylation reactor for corn stover pretreatment

The deacetylation process is a key step in the lignocellulosic biomass pretreatment process that currently is done in batch reactors. A flow-through diffuser type reactor is a promising approach to make the process more efficient and economically favorable. A washing step before deacetylation can further reduce chemical usage and increase the process efficiency. However, the highly compacted biomass particles can cause significant pressure-drop for fluid flow through the bed, which in the worst case can cause self-enhancing pressure-drop leading to reactor blocking. Detailed understanding of the fundamentals of flow through a compressible packed bed is necessary to scale up the washing and deacetylation process. This work closely examines the classical Kozeny Carman equation and proposes modifications to accurately predict the pressure-drop at different compaction states. Here, a compressible packed bed model is further developed based on the interaction between solid mechanics and fluid dynamics. Experimental measurements of water flow through a packed bed of corn stover show good agreement with the developed model. Corn stover washing process scale up simulations show that smaller reactor diameter, higher friction lining material, lower process throughput, and higher process temperature is favorable in stabilizing the bed from extensive compression when the bed height is fixed.

09 BIOMASS FUELS↗

DOE OSTI2022

Water limiting current measurements in anion exchange membrane fuel cells (AEMFCs); part 1: Water limiting current method development

We report water management is critical in optimizing anion exchange membrane fuel cell (AEMFCs) performance and durability. The role of membranes on determining cell water balance in AEMFCs has received limited study. A more thorough understanding of membrane water transport parameters is necessary for thorough cell optimization. In this study, a novel method for probing limiting current based on water flux across an AEMFC is presented for the first time. The water limiting current has been investigated as a function of relative humidity of anode and cathode streams, cathode backpressure and cell operating temperature. From these studies, it is clearly shown that water diffusion through the membrane from the anode is the most critical mechanism for achieving high current density performance and durability. The developed method can act as a novel screening technique that focuses on the impacts of water transport parameters and helps identify promising membrane materials based on their water transport properties. A critical but underappreciated facet of AEMFC performance and durability.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2022

Towards fast and accurate predictions of radio frequency power deposition and current profile via data-driven modelling: applications to lower hybrid current drive

Three machine learning techniques (multilayer perceptron, random forest and Gaussian process) provide fast surrogate models for lower hybrid current drive (LHCD) simulations. A single GENRAY/CQL3D simulation without radial diffusion of fast electrons requires several minutes of wall-clock time to complete, which is acceptable for many purposes, but too slow for integrated modelling and real-time control applications. The machine learning models use a database of more than 16 000 GENRAY/CQL3D simulations for training, validation and testing. Latin hypercube sampling methods ensure that the database covers the range of nine input parameters ( $n_{e0}$ , $T_{e0}$ , $I_p$ , $B_t$ , $R_0$ , $n_{\|}$ , $Z_{{\rm eff}}$ , $V_{{\rm loop}}$ and $P_{{\rm LHCD}}$ ) with sufficient density in all regions of parameter space. The surrogate models reduce the inference time from minutes to $\sim$ ms with high accuracy across the input parameter space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning

Molten alkali chloride salts are a critical component in concentrated solar power and nuclear applications. Despite their ubiquity, the extreme chemical reactivity of molten alkali chlorides at high temperatures has presented a significant challenge in characterizing atomic structures and dynamic properties experimentally. In this work, we we investigate molten NaCl by performing high temperature molecular dynamics simulations using a Gaussian Approximation Potential (GAP) trained on Density Functional Theory (DFT) datasets. Our GAP model, trained with a meager 1000 atomic configurations, arrives at near ab initio accuracy with a mean absolute error of 1.5 meV/atom thus enabling fast analysis of high temperature salt properties on large length (5000 ion pairs) and time (> 1ns) scales currently inaccessible to ab initio simulations. Calculated structure factors and diffusion constants from our GAP model simulations show excellent agreement with experiments. Our results indicate that GAP models are able to capture the many-body interactions required to accurately model ionic-systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

VO 2 phase change electrodes in Li-ion batteries

Use of electrode materials that show phase change behavior and hence drastic changes in electrochemical activity during operation has not been explored for Li-ion batteries. Here we demonstrate the vanadium oxide (VO 2 ) cathode that undergoes a metal–insulator transition due to the first-order structural phase transition at an accessible temperature of 68 °C for battery operation. Using a suitable electrolyte operable across the phase transition range and compatible with vanadium oxide cathodes, we studied the effect of cathode active material structural changes on lithium insertion followed by the electrochemical characteristics above and below the phase transition temperature. The high-temperature VO 2 phase shows significantly improved capacitance, enhanced current rate capabilities, improved electrical conductivity and lithium-ion diffusivity compared to the insulating low temperature phase. In conclusion, this opens up new avenues for electrode design, allowing manipulation of electrochemical reactions around phase transition temperatures, and in particular enhancing electrochemical properties at elevated temperatures contrary to the existing class of battery chemistries that lead to performance deterioration at elevated temperatures.

25 ENERGY STORAGE↗

DOE OSTI2026

Electrode chemistry impact on retention performance of ferroelectric hafnium zirconium oxide (Hf 0.5 Zr 0.5 O 2−x ) capacitors

Polarization retention of 10 nm thick ferroelectric hafnium zirconium oxide (Hf 0.5 Zr 0.5 O 2−x , HZO) capacitors with W and TaN electrodes is investigated over temperatures ranging from 85 to 150 °C. Same state and opposite state polarization margins for devices with W electrodes show minimal retention loss after 10 5 at 150 °C. The devices capped with TaN electrodes show excellent same state retention, but the opposite state polarization margin in the TaN-electrode devices displays 40% retention loss at 150 °C after 10 5 s. The TaN-capped devices exhibit a more pronounced imprint, which is attributed to an increased oxygen vacancy content (compared to W-capped devices). The increased oxygen vacancy content in the TaN-capped devices is supported by photoluminescence and leakage current measurements. In addition, TaN-capped devices have chemically diffuse electrode–HZO interfaces; more abrupt interfaces are present in the W-capped devices. The presence of interfacial phases in the TaN-capped devices may lead to larger depolarization fields due to reduced charge screening. The results from this study provide further evidence that for HZO ferroelectric devices the electrode can significantly impact polarization retention behavior due to differences in oxygen vacancy concentration and formation of non-ferroelectric interfacial layers.

36 MATERIALS SCIENCE↗