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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Development of morphogen gradient: The role of dimension and discreteness

The fundamental processes of biological development are governed by multiple signaling molecules that create non-uniform concentration profiles known as morphogen gradients. It is widely believed that the establishment of morphogen gradients is a result of complex processes that involve diffusion and degradation of locally produced signaling molecules. We developed a multi-dimensional discrete-state stochastic approach for investigating the corresponding reaction-diffusion models. It provided a full analytical description for stationary profiles and for important dynamic properties such as local accumulation times, variances, and mean first-passage times. The role of discreteness in developing of morphogen gradients is analyzed by comparing with available continuum descriptions. It is found that the continuum models prediction about multiple time scales near the source region in two-dimensional and three-dimensional systems is not supported in our analysis. Using ideas that view the degradation process as an effective potential, the effect of dimensionality on establishment of morphogen gradients is also discussed. In addition, we investigated how these reaction-diffusion processes are modified with changing the size of the source region.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Impact of built-in fields and contact configuration on the characteristics of ultra-thin GaAs solar cells

We discuss the effects of built-in fields and contact configuration on the photovoltaic characteristics of ultra-thin GaAs solar cells. The investigation is based on advanced quantum-kinetic simulations reaching beyond the standard semi-classical bulk picture concerning the consideration of charge carrier states and dynamics in complex potential profiles. The thickness dependence of dark and photocurrent in the ultra-scaled regime is related to the corresponding variation of both, the built-in electric fields and associated modification of the density of states, and the optical intensity in the films. Losses in open-circuit voltage and short-circuit current due to the leakage of electronically and optically injected carriers at minority carrier contacts are investigated for different contact configurations including electron and hole blocking barrier layers. The microscopic picture of leakage currents is connected to the effect of finite surface recombination velocities in the semi-classical description, and the impact of these non-classical contact regions on carrier generation and extraction is analyzed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Investigation of long-term light stability of negative charge injected into oxide-nitride-oxide passivation stack of crystalline silicon solar cells

A negatively charged oxide-nitride-oxide stack for field-effect passivation of crystalline silicon solar cells is discussed. The negative charge was injected into the stack by a plasma charge injection technology. Charge stability was studied by exposing samples to AM1.5 simulation visible light and full-spectrum light at temperatures ranging from 55 to 78 °C for up to 300 h. Charge injection and loss were quantified based on shifts in the flatband voltage of capacitance–voltage curves measured with a mercury probe. The most probable mechanism of charge loss was found to be diffusion of negative charged hydrogen atoms through nitride and bottom oxide. The optimum recipe for each layer of the stack was investigated to minimize the loss of injected charge. The flatband voltage decay of the optimized stack was found to fit a power-law trend, suggesting the dispersive transport of hydrogen atoms with a dispersion parameter of ~0.06–0.07. The optimized stack is projected to maintain a negative charge density of about 3.6 × 10 12 cm –2 or more after 25 years of field operation in an environment such as Arizona, which would be sufficient for field-effect passivation under one-sun illumination. Furthermore, the high stability of the negative injected charge makes the plasma charging technology a safer and lower cost alternative to Al 2 O 3 -passivation technology commonly used to passivate p-type surfaces.

14 SOLAR ENERGY↗
DOE OSTI2014

Proteome-wide Light/Dark Modulation of Thiol Oxidation in Cyanobacteria Revealed by Quantitative Site-Specific Redox Proteomics

Reversible protein thiol oxidation is an essential regulatory mechanism of photosynthesis, metabolism, and gene expression in photosynthetic organisms. Herein, we present the first proteome-wide quantitative site-specific profiling of in vivo dynamics of thiol oxidation modulated by light/dark in cyanobacterium Synechocystis sp. PCC 6803, an oxygenic photosynthetic prokaryote. Our proteomic approach integrates resin-assisted enrichment with isobaric labeling to enable site-specific and quantitative measurements of reversibly oxidized thiols. The redox dynamics of ~2,200 cysteine sites from 1,060 proteins under different conditions (light, dark, and in the presence of a photosystem II inhibitor DCMU) were quantified. The results revealed broad proteome-wide changes in thiol oxidation in many key biological processes including photosynthesis, carbon fixation, and glycolysis. Moreover, the redox sensitivity data provides a good prediction of potential functional cysteine sites for proteins of interest. Together, our findings provided significant novel insights into the broad redox regulation of photosynthetic organisms.

redox proteomics, photosynthesis, Synechocystis 68↗
DOE OSTI2018

Ultrafast exciton many-body interactions and hot-phonon bottleneck in colloidal cesium lead halide perovskite nanocrystals

Defect-tolerant perovskite nanocrystals of the general formula Cs-Pb-X 3 (where X=Cl, Br, and I) have shown exceptional potential in fundamental physics as well as in novel optoelectronic applications as the next generation of solar cells. Although exciton many-body interactions such as biexciton Stark shift, state filling, and Auger recombination are studied extensively, other important correlated effects, such as band gap renormalization (BGR) and hot-phonon bottleneck, are not explored in these nanocrystals. Here we experimentally demonstrate the carrier density dependence of the BGR and an effective hot-phonon bottleneck in CsPb(Cl 0.20 Br 0.80 ) 3 mixed-halide nanocrystals. The results are compared with two other halide compositions, namely, CsPbBr 3 and CsPb(Br 0.55 I 0.45 ) 3 nanocrystals with varying band gaps. The optical response of the nanocrystals changes dramatically across the spectral range of many hundreds of meV at high carrier density due to large BGR. We have calculated the BGR constant ~(6.0+/-0.3) x 10 -8 eV cm for CsPb(Cl 0.20 Br 0.80 ) 3 nanocrystals that provides the amount of band gap shift as a function of carrier density. In these nanocrystals, an efficient hot-phonon bottleneck is observed at a carrier density of 3.1 x 10 17 cm -3 that slows down the thermalization by 1 order of magnitude. Our findings reveal that the complex kinetic profile of the exciton dynamics can be analyzed by the global target analysis using the sequential model with increasing lifetimes.

14 SOLAR ENERGY↗
DOE OSTI2020

Model-Free Dynamic Voltage Control of a Synchronous Generator-Based Microgrid

The main goal of this paper is to present a new dynamic voltage stability mechanism, based on model-free control (MFC), for effective control and coordination of synchronous generator (SG)-based reactive power resources in a microgrid setting. MFC has shown successful operation in various domains, and this paper presents its first use in the voltage stability of a power system. It is utilized as an online controller to achieve the dynamic voltage stability of a microgrid system under different disturbances and fault conditions. A 21-bus microgrid system fed by SG-based distributed energy resources (DERs) is considered as a use case study. The overall dynamic voltage stability of the microgrid system is investigated using time-domain dynamic simulations during emergency, hazard, and disaster events. Simulation results show that there are significant improvements and enhancements on the dynamic load bus voltage profiles of the microgrid system by the effective model-free control and coordination of the reactive power reserves of the SG-based DERs.

Hatipoglu, Kenan↗
DOE OSTI2017

Antimony diffusion in CdTe

Group V dopants may be used for next-generation high-voltage cadmium telluride (CdTe) solar photovoltaics, but fundamental defect energetics and kinetics need to be understood. Here, antimony (Sb) diffusion is studied in single-crystal and polycrystalline CdTe under Cd-rich conditions. Diffusion profiles are determined by dynamic secondary ion mass spectroscopy and analyzed with analytical bulk and grain-boundary diffusion models. Slow bulk and fast grain-boundary diffusion are found. Density functional theory is used to understand formation energy and mechanisms. Lastly, the theory and experimental results create new understanding of group V defect kinetics in CdTe.

14 SOLAR ENERGY↗
DOE OSTI2022

A Simplified Numerical Approach to Characterize the Thermal Response of a Moving Bed Solar Reactor

Abstract Concentrated solar thermochemical storage in the form of a zero-emission fuel is a promising option to produce long-duration energy storage. Solar fuel is produced using a cavity reactor that captures concentrated solar radiation from a solar field of heliostats. In this paper, heat transfer model of a tubular plug-flow reactor designed and manufactured for a solar fuel production is presented. Experimental data collected from a fixed bed tubular reactor testing are used for model comparison. The system consists of an externally heated tube with counter-current flowing gas and moving solid particles as the heated media. The proposed model simulates the dynamic behavior of temperature profiles of the tube wall, gas, and particles under various gas flowrates and residence times. The heat transfer between gas–wall, solid particle–wall, and gas–solid particle is numerically studied. The model results are compared with the results of experiments done using a 4 kW furnace with a 150 mm heating zone surrounding a horizontal alumina tube (reactor) with 50.8 mm outer diameter and thickness of 3.175 mm. Solid fixed particles of magnesium manganese oxide (MgMn2O4) with the size of 1 mm are packed within the length of 250 mm at the center of the tube length. Simulation results are assessed with respect to fixed bed experimental data for four different gas flowrates, namely, 5, 10, 15, and 20 standard liters per minute of air, and furnace temperatures in the range of 200–1200 °C. The simulation results showed good agreement with maximum steady state error that is less than 6% of those obtained from the experiments for all runs. The proposed model can be implemented as a low-order physical model for the control of temperature inside plug-flow reactors for thermochemical energy storage applications.

Engineering↗
DOE OSTI2020

COVID-19 biomarkers based on respiratory microbiome content

COVID-19 patient care management would greatly benefit from new tools that enable accurate assessment of disease severity and stage, potentially enabling a personalized medicine approach. Detection of the SARS-CoV-2 virus itself, or even quantitation of viral loads, is not sufficient for accurate assessment of disease state beyond diagnosis of infection [eg, doi:10.1093/cid/ciaa344]. Levels of usual suspect protein biomarkers associated with host response to infection [eg, C-reactive protein (CRP); cytokines like IL-6, TNF-alpha, and IL-10; complement proteins like C3a and C5a], and of individual blood cell types (eg, leukocytes, lymphocytes, and subsets thereof), show limited correlation with disease severity and stage, with high patient-to-patient and study-to-study variability [eg, doi:10.1093/cid/ciaa248]. High-dimensional panels of biomarkers should have greater predictive power and resilience to unavoidable sources of variability; however, their assembly from proteins and cell types is extremely difficult, due to technical limitations in analyte measurement, especially with regard to starting material requirements and detection sensitivity. Host response profiling through Next Generation Sequencing (NGS) of gene expression patterns (ie, RNA-Seq) is a promising approach, but at the time of this project there were only two publicly available datasets of relevance [doi:10.1093/cid/ciaa203, doi:10.1080/22221751.2020.1747363], and close inspection of them revealed that each had at least one major flaw that severely undermined its value in supporting robust analysis of host response to SARS-CoV- 2 infection. However, the first of these studies [doi:10.1093/cid/ciaa203] fortuitously collected NGS data not only from host cells, but also from bacteria present in bronchoalveolar lavage fluid (BALF) recovered from COVID-19 patients; and because the respiratory microbiome (in terms of bacterial species content) is far less complex than the human transcriptome, the NGS data collected were sufficient to provide coverage depth supporting robust analysis. Surprisingly, the authors of the study did not carry out a detailed analysis of these data and their potential for revealing important new information about COVID-19. Therefore, we carried out a meta-analysis of the dataset as a first step in evaluating the potential for profiling of respiratory microbiome dynamics as a means of accurately assessing COVID-19 disease state.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Enhanced Feedstock Characterization and Modeling to Facilitate Optimal Preprocessing and Deconstruction of Corn Stover (Final Report)

This project addresses the challenge of processing corn stover by fractionating this biomass feedstock to both streamline processing and generate new potential co-products. Additionally, the project developed new field-deployable analytical tools that can be coupled with empirical models that were used to predict feedstock properties and processing performance. The overall scope of this project was: (1) identify conditions for optimal corn stover fractionation using a two- stage physical fractionation, (2) assess how physical fractionation impacts properties, partitioning of biomass, and response to processing, (3) further adapt, develop, and validate several advanced characterization tools for assessing biomass properties that can be linked to processing behavior, and (4) develop and validate predictive models based on measurements that can be performed “in the field” or “at the biorefinery gate” to predict feedstock processing behavior (preprocessing and deconstruction). The first objective employed pre-separation processing (size reduction) which was next subjected to enhanced separations to yield fractions enriched or depleted in select compositional components or properties. For the second objective, fractions were screened for their response to post-separation processing (pretreatment and enzymatic hydrolysis). Detailed characterization profiles were developed and dynamic image analysis to assess distribution of particle size and morphology. For the final objective, we utilized these tools to develop empirical models to assess the relative abundance of tissue type in order to assess fractionation efficacy and to predict fraction performance during pretreatment and enzymatic hydrolysis.

09 BIOMASS FUELS↗
DOE OSTI2020

Model-Free Dynamic Voltage Control of Distributed Energy Resource (DER)-Based Microgrids

In this paper, we present a new control technique for sustaining dynamic voltage stability by effective reactive power control and coordination of distributed energy resources (DERs) in microgrids. The proposed control technique is based on model-free control (MFC), which has shown successful operation and improved performance in different domains and applications. This paper presents its first use in the voltage stability of a microgrid setting employing multiple synchronous generator (SG)-based and power electronic (PE)-based DERs. MFC is a computationally efficient, data-driven control technique that does not require modelling of the different components and disturbances in the power system. It is utilized as an online controller to achieve the dynamic voltage stability of a microgrid system under different disturbances and fault conditions. A 21-bus microgrid system fed by multiple DERs is considered as a case study and the overall dynamic voltage stability is investigated using time-domain dynamic simulations. Numerical results show that the proposed MFC provides improvements on the dynamic load bus voltage profiles and requires less computational time as compared to the traditional enhanced microgrid voltage stabilizer (EMGVS) scheme. Due to its simplicity and low computational requirement, MFC can be easily implemented in resource-constrained computing devices such as smart inverters.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2016

DOUBLE DYNAMO SIGNATURES IN A GLOBAL MHD SIMULATION AND MEAN-FIELD DYNAMOS

The 11 year solar activity cycle is the most prominent periodic manifestation of the magnetohydrodynamical (MHD) large-scale dynamo operating in the solar interior, yet longer and shorter (quasi-) periodicities are also present. The so-called “quasi-biennial” signal appearing in many proxies of solar activity has been gaining increasing attention since its detection in p -mode frequency shifts, which suggests a subphotospheric origin. A number of candidate mechanisms have been proposed, including beating between co-existing global dynamo modes, dual dynamos operating in spatially separated regions of the solar interior, and Rossby waves driving short-period oscillations in the large-scale solar magnetic field produced by the 11 year activity cycle. In this article, we analyze a global MHD simulation of solar convection producing regular large-scale magnetic cycles, and detect and characterize shorter periodicities developing therein. By constructing kinematic mean-field α {sup 2}Ω dynamo models incorporating the turbulent electromotive force (emf) extracted from that same simulation, we find that dual-dynamo behavior materializes in fairly wide regions of the model’s parameters space. This suggests that the origin of the similar behavior detected in the MHD simulation lies with the joint complexity of the turbulent emf and differential rotation profile, rather that with dynamical interactions such as those mediated by Rossby waves. Analysis of the simulation also reveals that the dual dynamo operating therein leaves a double-period signature in the temperature field, consistent with a dual-period helioseismic signature. Order-of-magnitude estimates for the magnitude of the expected frequency shifts are commensurate with helioseismic measurements. Taken together, our results support the hypothesis that the solar quasi-biennial oscillations are associated with a secondary dynamo process operating in the outer reaches of the solar convection zone.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Failed Radiatively Accelerated Dusty Outflow Model of the Broad Line Region in Active Galactic Nuclei. I. Analytical Solution

The physical origin of the broad line region in active galactic nuclei is still unclear despite many years of observational studies. The reason is that the region is unresolved, and the reverberation mapping results imply a complex velocity field. We adopt a theory-motivated approach to identify the principal mechanism responsible for this complex phenomenon. We consider the possibility that the role of dust is essential. We assume that the local radiation pressure acting on the dust in the accretion disk atmosphere launches the outflow of material, but higher above the disk the irradiation from the central parts causes dust evaporation and a subsequent fallback. This failed radiatively accelerated dusty outflow is expected to represent the material forming low ionization lines. In this paper we formulate simple analytical equations to describe the cloud motion, including the evaporation phase. The model is fully described just by the basic parameters of black hole mass, accretion rate, black hole spin, and viewing angle. We study how the spectral line generic profiles correspond to this dynamic. We show that the virial factor calculated from our model strongly depends on the black hole mass in the case of enhanced dust opacity, and thus it then correlates with the line width. This could explain why the virial factor measured in galaxies with pseudobulges differs from that obtained from objects with classical bulges, although the trend predicted by the current version of the model is opposite to the observed trend.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Optimal charging profiles for mechanically constrained lithium-ion batteries

The cost and safety related issues of lithium-ion batteries require intelligent charging profiles that can efficiently utilize the battery. This paper illustrates the application of dynamic optimization in obtaining the optimal current profile for charging a lithium-ion battery using a single-particle model while incorporating intercalation-induced stress generation. In this paper, we focus on the problem of maximizing the charge stored in a given time while restricting the development of stresses inside the particle. Conventional charging profiles for lithium-ion batteries (e.g., constant current followed by constant voltage) were not derived by considering capacity fade mechanisms. These charging profiles are not only inefficient in terms of lifetime usage of the batteries but are also slower since they do not exploit the changing dynamics of the system. Dynamic optimization based approaches have been used to derive optimal charging and discharging profiles with different objective functions. The progress made in understanding the capacity fade mechanisms has paved the way for inclusion of that knowledge in deriving optimal controls. While past efforts included thermal constraints, this paper for the first time presents strategies for optimally charging batteries by guaranteeing minimal mechanical damage to the electrode particles during intercalation. In addition, an executable form of the code has been developed and provided. This code can be used to identify optimal charging profiles for any material and design parameters.

Suthar, B↗
DOE OSTI2021

Structure–Capacitance Relationships of Graphene/Ionic Liquid Electrolyte Double Layers

The differential capacitance profile of electrochemical interfaces reflects the physical properties of the double layer. For carbon electrodes and ionic liquid based electrolytes, these capacitance profiles are not fully understood. In this work, we utilize constant voltage molecular dynamics simulations to compute differential capacitance profiles of ionic liquids [BMIm + ][BF 4 - ] and [BMIm + ][TFSI - ] mixed with acetonitrile and 1,2-dichloroethane, at model graphene electrodes. We find that both pure and 10% mole fraction ionic liquid electrolytes exhibit camel shaped capacitance profiles with two peaks on either side of a minimum centered at the potential of zero charge. This profile shape results from electric field induced rearrangement of ion structure within the inner layer closest to the electrode interface. At low potential, the ionic liquid inner layer is concentrated with non-polar tri-fluoromethyl and butyl functional groups of the anions and cations, corresponding to the minimum of the capacitance profiles. With increasing voltage, electrostatic interactions of polar/charged functional groups with the electrode surface compete with these non-polar interactions, leading to ion rearrangement that increases the inner layer charge density and results in higher capacitance. After the ion restructuring is complete, the response saturates and capacitance diminishes. The presence of organic solvent significantly changes the composition of the inner layer. For example, strong non-polar interactions between dichloroethane molecules and the graphene surface substantially block ion/electrode contact at moderate potentials. Overall, our simulations highlight the dynamic nature of the inner region of organic electrolyte double layers, and the sensitive dependence on electrolyte composition and applied voltage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Optimizing the fuel efficiency of an opposed piston engine for electric power generation

This paper investigates the optimal crankshaft motion for an opposed piston (OP) engine in a novel hybrid architecture to maximize fuel efficiency. The OP engine was selected for this work due to its inherent thermodynamic benefits and the balanced nature of the engine which can achieve downsizing through reducing the number of cylinders rather than the individual cylinder volume. The typical geartrain required on an OP engine was exchanged for two electric motors, reducing friction loss and decoupling the crankshafts. Using the motors to control the crankshaft motion profiles, this architecture introduces capabilities to dynamically vary compression ratio, combustion volume, and scavenging dynamics. To leverage these opportunities, an optimization scheme was developed utilizing nonlinear optimization of a 0-D model to compute the crankshaft motion profile that maximizes the work generated by the system. This optimization was then iteratively coupled with a high fidelity model which supplies the cylinder flow boundary conditions. This iterative approach reduces the model complexity used in the optimal control problem (OCP) while capturing the gas exchange dynamics critical to the 2-stroke cycle of the OP engine. By using the rate of change of motor torque as the input to the OCP, the torque fluctuation in a single cycle can be limited to ensure tracking feasibility. The results show crankshaft velocity slows during the compression stroke and conversely accelerates during the expansion stroke, reducing the peak motor torque required for control and thus reducing the motor losses. The extended residence time at top dead center, however, leads to an increase in heat transfer, illustrating the trade-off between the work extraction efficiency and the indicated engine efficiency.

Engineering↗