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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Stability-based optimization of ACRT for the growth of CZT by the traveling heater method

Numerical modeling is employed to study the effects of several accelerated crucible rotation technique (ACRT) rotation schedules on the growth of cadmium zinc telluride (CZT) by the traveling heater method (THM). In conjunction with these analyses, a measure is developed to estimate the amplitude of disturbances associated with cellular interface growth morphologies that develop over time and across the melt-solid interface. Furthermore, this disturbance amplitude measure is used to assess the ability of ACRT to stabilize the growth interface and thereby minimize inclusion formation processes. Notably, our analyses reveal that interfacial instability is not well correlated with melt undercooling, explaining why classical ACRT approaches to reduce undercooling by mixing may not stabilize growth. Computations show that interface stability is best achieved via rotation schedules that accentuate outward Ekman flows during spin-up and, during spin-down, eliminate Taylor-Görtler flows and minimize inward Ekman flows.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Substitutional Growth of Methylammonium Lead Iodide Perovskites in Alcohols

Methylammonium lead iodide (MAPbIx) perovskites are organic-inorganic semiconductors that serve as the light-harvesting component in photovoltaic devices. Their long carrier diffusion lengths yield power conversion efficiencies in excess of 22%. Conventional growth techniques apply spin-coated precursors on an oxide or polymer substrate followed by annealing; however, use of toxic solvents and high temperature hinder device stability and performance. Through a nucleophilic substitutional growth of MAPbIx in polar protic alcohols, we show evidence for their substrate- and annealing- free production. These variable-sized crystals (~100 nm-10 µm) are found to be tetragonally single-phased in alcohols, and precipitated as powders that are metallic-lead-free with a negligibly small amount of unreacted PbI2 (<10%). On the basis of this chemical approach, we obtain chemically stable MAPbIx in air up to ~1.5 months with thermal stability at ≤300°C. This method is amendable for large-area deposition, large-scale manufacturing, and ultimately leads to energy-efficient, low-cost, and stable optoelectronics.

Acik, Muge↗
DOE OSTI2023

Evaluation of Distributed Power Apportioning with Net Load Management Engine in Microgrids Using Power Hardware-in-the-Loop Simulation

This article presents the performance evaluation of ratio consensus-based distributed power apportioning engine along with centralized net load management (NLM) engine that ensures viable and stable operation of an islanded microgrid. Managing net load variability in a microgrid with high penetrations of uncertain renewable generation and ever-changing load demands is a crucial need in order to ensure viable and stable operation of the microgrid. Centralized “dispatch-rule”-based and/or multi-agent-based distributed control of distributed energy resources (DERs) in microgrid are well accepted for microgrid by adapting ANSI/ISA-95-based hierarchical control architecture. In the application where microgrid network has large geographical span with multiple DERs dispersed in the network, high penetration of uncertain renewable energy resources, and ever-changing load demands, a judicious selection of techniques/solutions for managing net-load resources for maintaining viability and stability is required. With this motivation, this article proposes a novel solution to mitigate the challenges by incorporating a mixed centralized NLM engine and distributed power apportioning control of DERs and loads. A power-hardware-in-the-loop (PHIL) -based experiment is conducted with the centralized NLM engine and the distributed power apportioning engine along with two commercial inverters. The experimental results validates the efficacy of the proposed method in ensuring viability and stability of a microgrid.

hardware-in-the-loop simulation↗
DOE OSTI2015

Hydroxide based Benzyltrimethylammonium degradation: Quantification of rates and degradation technique development

Anion exchange membranes (AEMs) are of interest as hydroxide conducting polymer electrolytes in electrochemical devices like fuel cells and electrolyzers. AEMs require hydroxide stable covalently tetherable cations to ensure required conductivity. Benzyltrimethylammonium (BTMA) has been the covalently tetherable cation that has been most often employed in anion exchange membranes because it is reasonably basic, compact (limited number of atoms per charge), and easily/cheaply synthesized. Several reports exist that have investigated hydroxide stability of BTMA under specific conditions, but consistency within these reports and comparisons between them have not yet been made. While the hydroxide stability of BTMA has been believed to be a limitation for AEMs, this stability has not been thoroughly reported. In this paper, we have found that several methods reported have inherent flaws in their findings due to the difficulty of performing degradation experiments at high temperature and high pH. In order to address these shortcomings, we have developed a reliable, standardized method of determining cation degradation under conditions similar/relevant to those expected in electrochemical devices. The experimental method has been employed to determine BTMA stabilities at varying cation concentrations and elevated temperatures, and has resulted in improved experimental accuracy and reproducibility. Finally and most notably, these results have shown that BTMA is quite stable at 80°C (half-life of ~4 years), a significant increase in stability over what had been reported previously.

14 SOLAR ENERGY↗
DOE OSTI2014

L{sub 1/2} regularization based numerical method for effective reconstruction of bioluminescence tomography

Even though bioluminescence tomography (BLT) exhibits significant potential and wide applications in macroscopic imaging of small animals in vivo, the inverse reconstruction is still a tough problem that has plagued researchers in a related area. The ill-posedness of inverse reconstruction arises from insufficient measurements and modeling errors, so that the inverse reconstruction cannot be solved directly. In this study, an l{sub 1/2} regularization based numerical method was developed for effective reconstruction of BLT. In the method, the inverse reconstruction of BLT was constrained into an l{sub 1/2} regularization problem, and then the weighted interior-point algorithm (WIPA) was applied to solve the problem through transforming it into obtaining the solution of a series of l{sub 1} regularizers. The feasibility and effectiveness of the proposed method were demonstrated with numerical simulations on a digital mouse. Stability verification experiments further illustrated the robustness of the proposed method for different levels of Gaussian noise.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Study on Emulsification/Demulsification Behavior and Mechanism of Produced Liquid from Polymer Flooding on Alaska North Slope

Heavy oil reservoirs on Alaska North Slope (ANS) are unconsolidated and contain abundant clay minerals, where the first-ever field pilot is currently implemented to validate the use of polymer floods for heavy oil enhanced oil recovery (EOR). The polymer molecules and/or fine clay particles carried with the produced liquid could potentially affect the oil/water separation, which is one of the major concerns for field operators. This dissertation aims to investigate the emulsification behavior of produced liquid, understand the emulsifying mechanism, and seek an adaptive and cost-effective method to treat the produced liquid from polymer flooding. Emulsions were prepared by mechanically mixing the actual heavy oil and the produced water from the pilot site, of which the stability was investigated by bottle test method or multiple light scattering method. Drop size distribution and interfacial properties were measured via microscope and pendant drop technique to probe the stability mechanism further. Results showed that oil-continuous or water-continuous emulsion could be generated depending on the water cut, clay types, clay concentration, and polymer concentration. In the crude oil/water system, the increasing water cut triggered the phase inversion of oil-continuous emulsion to water-continuous emulsion, resulting in faster separation and lower emulsion stability. Whereas, clay particles, no matter added to the oil or water phase, resulted in an unfavorable phase inversion from the loose water-continuous emulsion to the tight oil-continuous emulsion as clay concentration increased. For all four types of clay except Ca-montmorillonite, clay particles added to water led to an earlier phase inversion and higher emulsion stability than that added to the oil. The dual function of polymer on emulsion stability was observed. On the one hand, both sheared and unsheared polymer tended to convert the oil-continuous emulsion formed in either crude oil/water system or complex crude oil/water/clay particle system to the water-continuous emulsion, acting as a weak demulsifier to accelerate the oil/water separation. On the other hand, the addition of polymer to the water-continuous emulsion could result in enhanced emulsion stability, which is primarily attributed to the increased viscosity of the continuous phase and the decreased drop size of the dispersed oil phase. Particularly, the sheared polymer had a weaker ability to stabilize the o/w emulsion than the unsheared polymer due to the lower viscosity of the sheared polymer solution resulting from the breakdown of the polymer macromolecules. As for the chemical demulsification tests, the performance of demulsifiers showed a complex dependency upon the water cut, the shearing intensity, demulsifier type and dosage, and the polymer concentration. A compound emulsion breaker, E12+E18, exhibited the most satisfactory demulsification performance despite the varied test conditions. For severe water-continuous emulsions that might require a multi-fold dosage of demulsifier, a less expensive electrolyte, KCl, was proposed to be used in combination with demulsifier E12+E18 to improve the demulsification performance. In the proposed demulsifier formula, the effectiveness of the commercial demulsifier relied on its destructive effect on the interfacial film, while the efficacy of KCl was mainly dependent on its viscosity reduction effect on the continuous phase. This dissertation illustrates that intermediate layer elimination and water clarification are the major challenges for produced liquid treatment from polymer flooding. It also provides practical and theoretical guidance in advance for the demulsification strategy of the produced liquid from the ongoing first-ever polymer flooding pilot on ANS.

Chang, Hongli↗
DOE OSTI2024

Field Demonstration of Residential DER Service-Oriented Load Participation

Amidst a concerning surge in power consumption during peak hours, coupled with heightened power grid instability, and driven by a growing demand for electricity, aggregations of Distributed Energy Resource are becoming a viable means for providing essential reliability services.Electric utility companies have proactively implemented Demand Response programs for decades. These programs employ Direct Load Control methods to enhance power grid stability, achieved by controlling customers’ Distributed Energy Resource during peak hours to reduce power consumption. However, a notable drawback of Direct Load Control has been high unenrollment rates of DR program participants due to customer discomfort.Therefore, the underlying issue of over-consumption persists. To address these concerns, this paper introduces a Service-Oriented Load Participation approach to providing grid services such as Demand Response. Leveraging a Service-Oriented Architecture, this method offers the advantage of efficient service management and provisioning within the system. The SOLP approach not only aims to reduce power consumption but also to maintain customer satisfaction by ensuring a comfortable grid service experience.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Surface Passivation to Improve the Performance of Perovskite Solar Cells

Perovskite solar cells (PSCs) suffer from a quick efficiency drop after fabrication, partly due to surface defects, and efficiency can be further enhanced with the passivation of surface defects. Herein, surface passivation is reviewed as a method to improve both the stability and efficiency of PSCs, with an emphasis on the chemical mechanism of surface passivation. Various molecules are utilized as surface passivants, such as halides, Lewis acids and bases, amines (some result in low-dimensional perovskite), and polymers. Multifunctional molecules are a promising group of passivants, as they are capable of passivating multiple defects with various functional groups. This review categorizes these passivants, in addition to considering the potential and limitations of each type of passivant. Additionally, surface passivants for Sn-based PSCs are discussed since this group of PSCs has poor photovoltaic performance compared to their lead-based counterpart due to their severe surface defects. Lastly, future perspectives on the usage of surface passivation as a method to improve the photovoltaic performance of PSCs are addressed to provide a direction for upcoming research and practical applications.

14 SOLAR ENERGY↗
DOE OSTI2021

IMEX Runge-Kutta Parareal for Non-diffusive Equations

Parareal is a widely studied parallel-in-time method that can achieve meaningful speedup on certain problems. However, it is well known that the method typically performs poorly on non-diffusive equations. This paper analyzes linear stability and convergence for IMEX Runge-Kutta Parareal methods on non-diffusive equations. By combining standard linear stability analysis with a simple convergence analysis, we find that certain Parareal configurations can achieve parallel speedup on non-diffusive equations. These stable configurations all posses low iteration counts, large block sizes, and a large number of processors. Numerical examples using the nonlinear Schrodinger equation demonstrate the analytical conclusions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Advancing a Model-Validated Statistical Method for Decomposing the Key Oceanic Drivers of Regional Climate: Focus on Northern and Tropical African Climate Variability in the Community Earth System Model (CESM)

This study advances the practicality and stability of the traditional multivariate statistical method, generalized equilibrium feedback assessment (GEFA), for decomposing the key oceanic drivers of regional atmospheric variability, especially when available data records are short. An advanced stepwise GEFA methodology is introduced, in which unimportant forcings within the forcing matrix are eliminated through stepwise selection. Method validation of stepwise GEFA is performed using the CESM, with a focused application to northern and tropical Africa (NTA). First, a statistical assessment of the atmospheric response to each primary oceanic forcing is carried out by applying stepwise GEFA to a fully coupled control run. Then, a dynamical assessment of the atmospheric response to individual oceanic forcings is performed through ensemble experiments by imposing sea surface temperature anomalies over focal ocean basins. Finally, to quantify the reliability of stepwise GEFA, the statistical assessment is evaluated against the dynamical assessment in terms of four metrics: the percentage of grid cells with consistent response sign, the spatial correlation of atmospheric response patterns, the area-averaged seasonal cycle of response magnitude, and consistency in associated mechanisms between assessments. In CESM, tropical modes, namely El Niño–Southern Oscillation and the tropical Indian Ocean Basin, tropical Indian Ocean dipole, and tropical Atlantic Niño modes, are the dominant oceanic controls of NTA climate. In complementary studies, stepwise GEFA is validated in terms of isolating terrestrial forcings on the atmosphere, and observed oceanic and terrestrial drivers of NTA climate are extracted to establish an observational benchmark for subsequent coupled model evaluation and development of process-based weights for regional climate projections.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Resilience Measurement Framework For Post-deployment Artificial Intelligence (ai) Integrated Systems

Resilience is largely defined as the ability to adapt or recover from adverse conditions, stresses, attacks, or compromises on systems that use or are enabled by digital resources. In Artificial Intelligence Management and Research for Advanced Networked Testbed Hub (AMARANTH), resilience is measured in the amount of time it took from the beginning of a testing period for the model to reach predictions outside of the original 95% confidence interval or using the Kullback-Leibler (KL) divergence theorem, the Population Stability Index (PSI), and traditional methods such as root mean squared error (RMSE) threshold. Artificial Intelligence (AI) model drift is of significant concern when deploying AI-integrated systems into critical and/or secure environments. Drift can impact resilience of the AI-integrated system post-deployment and requires consistent maintenance and upkeep to ensure the model is accurate and precise. To quantify model drift and predict the point when a model's drift becomes unacceptable, we describe using Kullback-Leibler (KL) divergence, Population Stability Index (PSI) and/or confidence interval width estimations to determine the point of failure and time to failure of a model post-deployment. Through simple code functions, the KL-divergence, PSI, confidence interval, and root mean squared (RMSE) point of failures can be used to derive when a model needs to be maintained as well as the impact of adversarial action through statistical means.

Yockey, Patience [Idaho National Laboratory (INL),↗
DOE OSTI2024

Accelerating the Electrochemical Formation of the δ Phase in Manganese-Rich Rocksalt Cathodes

Mn-rich disordered rocksalt materials with Li-excess (DRX) materials have emerged as a promising class of earth-abundant and energy-dense next-generation cathode materials for lithium-ion batteries. Recently, an electrochemical transformation to a spinel-like “δ” phase has been reported in Mn-rich DRX materials, with improved capacity, rate capability, and cycling stability compared with previous DRX compositions. However, this transformation unfolds slowly over the course of cycling, complicating the development and understanding of these materials. In this work, it is reported that the transformation of Mn-rich DRX materials to the promising δ phase can be promoted to occur much more rapidly by electrochemical pulsing at elevated temperature, rate, and voltage. To extend this concept, micron-sized single-crystal DRX particles are also transformed to the δ phase by the same method, possessing greatly improved cycling stability in the first demonstration of cycling for large, single-crystal DRX particles. To shed light on the formation and specific structure of the δ phase, X-ray diffraction, scanning electron nanodiffraction (SEND) and atomic resolution STEM-HAADF are used to reveal a nanodomain spinel structure with minimal remnant disorder.

25 ENERGY STORAGE↗
DOE OSTI2018

Preparation of Four Large-format Hot Isostatically Pressed I-AgZ Waste Form Samples for Performance Testing

Hot isostatic pressing (HIP) is being considered as a process to directly convert 129 I-bearing materials to a durable radiological waste form. Zeolites, specifically silver-exchanged mordenite (AgZ), have been studied extensively as potential radioactive iodine sorbents and will contain 129 I as chemisorbed AgI, a relatively insoluble compound with a high melting point. Oak Ridge National Laboratory has conducted several recent studies on the HIP of both I–AgZ and other iodine-bearing zeolites, resulting in an inventory of samples prepared with a suite of zeolites with varied iodine incorporation methods, pressing conditions, and sizes. These samples have been made available to researchers at other national laboratories in support of test method development to assess the stability of heterogenous iodine-bearing waste forms. The work described here generated four large-format HIPed I–AgZ samples. These samples are 1.5 in. diameter and 2 in. length and contain 49 g of I–AgZ. Two samples were prepared at an iodine loading of 64 mg I/g I– AgZ, and two samples were prepared at an iodine loading of 135 mg I/g I–AgZ. These two sets of duplicate samples will be made available upon request in support of iodine waste form durability method development efforts.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Local order origin of thermal stability enhancement in amorphous Ag doping GeTe

We demonstrate the impacts of Ag doping on the local atomic structure of amorphous GeTe phase-change material. The variations of phonon vibrational modes, boding nature, and atomic structure are shown by Raman, X-ray photoelectron spectroscopy, and ab initio calculation. Combining the experiments and simulations, we observe that the number of Ge atoms in octahedral site decreases and that in tetrahedral site increases. This modification in local order of GeTe originating from the low valence element will affect the crystallization behavior of amorphous GeTe, which is verified by differential scanning calorimetry and transmission electron microscope results. This work not only gives the analysis on the structural change of GeTe with Ag dopants but also provides a method to enhance the thermal stability of amorphous phase-change materials for memory and brain-inspired computing applications.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Rapid RNA-ligand interaction analysis through high-information content conformational and stability landscapes

The structure and biological properties of RNAs are a function of changing cellular conditions, but comprehensive, simultaneous investigation of the effect of multiple interacting environmental variables is not easily achieved. We have developed an efficient, high-throughput method to characterize RNA structure and thermodynamic stability as a function of multiplexed solution conditions using Förster resonance energy transfer (FRET). In a single FRET experiment using conventional quantitative PCR instrumentation, 19,400 conditions of MgCl 2 , ligand and temperature are analysed to generate detailed empirical conformational and stability landscapes of the cyclic diguanylate (c-di-GMP) riboswitch. This method allows rapid comparison of RNA structure modulation by cognate and non-cognate ligands. Landscape analysis reveals that kanamycin B stabilizes a non-native, idiosyncratic conformation of the riboswitch that inhibits c-di-GMP binding. Our research demonstrates that allosteric control of folding, rather than direct competition with cognate effectors, is a viable approach for pharmacologically targeting riboswitches and other structured RNA molecules.

biological sciences↗
DOE OSTI2020

Development of Methods for In-line Monitoring of Yield Stress During the Transfer of Radioactive Waste - 20435

Radioactive waste slurries at the Savannah River Site (SRS) and Hanford often behave as non-Newtonian fluids with a yield stress. The yield stress increases the size of equipment needed to transport or mix these slurries and can increase the risk of process upsets. This property is often measured by collection of samples and transportation to a laboratory, which can increase the risk of personnel exposure and even change the rheology. In addition, slurry rheology has been observed to change with time. Real-time in-line monitoring (RTIM) of rheological properties of slurries can have substantial benefits to critical processes which are currently in operation or will be part of future plans in Department of Energy (DOE) complex processes. The need for an appropriate RTIM technology that can potentially minimize or eliminate numerous sampling operations was recently identified. This research at Florida International University focuses on addressing the need for a reliable RTIM technology at US Department of Energy sites. The objective of this work is to investigate and develop appropriate and reliable technologies that can perform accurate and easy measurements of yield stress with minimal changes to the flow conditions at US Department of Energy sites. Use of ultrasound in longitudinal and shear modes was considered as a method for monitoring of yield stress variations with no disturbance to the flow. Measurement of shear wave velocity (in shear mode) and monitoring of sound velocity variations with start of flow from rest (longitudinal mode) are the underlying principles. Measurement of pressure loss and liquid rise (due to static differential pressure) during flow of slurries were two other methods that were considered and investigated. In addition, analysis of stability depth of a penetrometer in slurry medium (penetrometer method) revealed a potential suitability. This paper presents efforts associated with investigation of different methods mentioned earlier for kaolin-water mixtures at different concentrations. Theoretical analysis showed that all methods under investigation were capable of monitoring yield stress in a desirable range of 0 to 70 pascal. A bench scale test setup was constructed for investigation of pressure loss and liquid rise methods. Simulants at different concentrations were created for initial testing campaigns. For ultrasonic testing, effects of yield stress on sound propagation speed in longitudinal and shear modes were investigated for simulants placed inside PVC pipes. Parameters such as simulant concentration and pipe diameter were varied to find optimal values. It was found that spacing (or medium thickness) of 1/8 inch or less was necessary to observe echoes with sufficient strength. In addition, a significant effect of yield stress on sound propagation velocity was observed. For the liquid rise method, kaolin-water simulant at 1.17 specific gravity was pumped through a 1/4 inch pipe and liquid height was measured in a vertical riser branching off a three-way connection. Static gauge pressure was varied within [0.3 to 1.1] psi range by increase of pumping pressure and flow. Results showed consistent yield stress data within 10% deviation from values reported by a rheometer. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

An in-line burn-up algorithm: proposal and preliminary analysis

A new burn-up algorithm is proposed for coupling neutronics and isotopic depletion. The algorithm is analogous to those proposed for enforcing xenon equilibrium and converging neutronics and thermal-hydraulics. During the corrector step of standard predictor-corrector methods, the corrector nuclide density is updated as neutronics converges. This is expected to improve stability while reducing computational expense compared to other implicit algorithms. The stability of the algorithm is investigated by Fourier analysis for a simple case whose results have been successfully compared with numerical experiments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Compact finite difference schemes for the time fractional diffusion equation with nonlocal boundary conditions

Fourth-order compact finite difference schemes for solving the time fractional diffusion equation with nonlocal boundary conditions are considered in this paper. The second-order derivative in one space variable is approximated by a fourth-order compact finite difference. Two different time derivatives, the Caputo derivative and Riemann–Liouville derivative are considered in the equations that we discuss. The Caputo time derivative is discretized by the L1-approximation and a second-order approximation is used for the Riemann–Liouville derivative. Stability analysis using the discrete energy method for Scheme I is given, and error estimation of this scheme is derived by conducting the local truncation error analysis, using the stability result. Numerical results are provided to show that both two fully discrete schemes have fourth-order accuracy in space, and 2−γ order of accuracy in time for Scheme I with γ being the order of the fractional derivative, while Scheme II has second-order accuracy in time when the theoretical solutions are smooth with zero initial values.

97 MATHEMATICS AND COMPUTING↗