Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Aggregated”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Structural analysis of Cr aggregation in ferromagnetic semiconductor (Zn,Cr)Te

The Cr aggregation in a ferromagnetic semiconductor (Zn,Cr)Te was studied by performing precise analyses using TEM and XRD of microscopic structure of the Cr-aggregated regions formed in iodine-doped Zn{sub 1−x}Cr{sub x}Te films with a relatively high Cr composition x ∼ 0.2. It was found that the Cr-aggregated regions are composed of Cr{sub 1−δ}Te nanocrystals of the hexagonal structure and these hexagonal precipitates are stacked preferentially on the (111)A plane of the zinc-blende (ZB) structure of the host ZnTe crystal with its c-axis nearly parallel to the (111){sub ZB} plane.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Flower-shaped ZnO nanocrystallite aggregates synthesized through a template-free aqueous solution method for dye-sensitized solar cells

Hierarchically structured flower-shaped aggregates composed of ZnO nanocrystals were synthesized through a template-free aqueous solution method. The synthesized nanocrystallite aggregates were demonstrated to be promising photoanode materials for dye-sensitized solar cells (DSSCs). Compared with commercially available ZnO nanoparticles (ZnONPs), the flower-like aggregates (ZnONFs), each having an overall dimension of 400–600 nm, exhibited similar dye loading but higher light-scattering ability, which led to a substantial increase in the light-harvesting efficiency of resulting cells. The unique morphology of ZnONFs also boosted the absorbed photon-to-electric current generation efficiency. Consequently, DSSCs constructed from ZnONFs showed significantly improved photocurrent and achieved an overall conversion efficiency of 4.42%, which was 47% higher than that attained by ZnONP-based cells.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Micelle depletion-induced vs. micelle-mediated aggregation in nanoparticles

The phase behavior anionic silica nanoparticle (Ludox LS30) with non-ionic surfactants decaethylene glycol monododecylether (C12E10) and cationic dodecyltrimethyl ammonium bromide (DTAB) in aqueous electrolyte solution has been studied by small-angle neutron scattering (SANS). The measurements have been carried out for fixed concentrations of nanoparticle (1 wt%), surfactants (1 wt%) and electrolyte (0.1 M NaCl). Each of these nanoparticle–surfactant systems has been examined for different contrast conditions where individual components (nanoparticle or surfactant) are made visible. It is observed that the nanoparticle-micelle system in both the cases lead to the aggregation of nanoparticles. The aggregation is found to be micelle depletion-induced for C12E10 whereas micelle-mediated aggregation for DTAB. Interestingly, it is also found that phase behavior of mixed surfactant (C12E10 + DTAB) system is similar to that of C12E10 (unlike DTAB) micelles with nanoparticles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Dye aggregation identified by vibrational coupling using 2D IR spectroscopy

We report that a model dye, Re(CO){sub 3}(bypy)CO{sub 2}H, aggregates into clusters on TiO{sub 2} nanoparticles regardless of our preparation conditions. Using two-dimensional infrared (2D IR) spectroscopy, we have identified characteristic frequencies of monomers, dimers, and trimers. A comparison of 2D IR spectra in solution versus those deposited on TiO{sub 2} shows that the propensity to dimerize in solution leads to higher dimer formation on TiO{sub 2}, but that dimers are formed even if there are only monomers in solution. Aggregates cannot be washed off with standard protocols and are present even at submonolayer coverages. We observe cross peaks between aggregates of different sizes, primarily dimers and trimers, indicating that clusters consist of microdomains in close proximity. 2D IR spectroscopy is used to draw these conclusions from measurements of vibrational couplings, but if molecules are close enough to be vibrationally coupled, then they are also likely to be electronically coupled, which could alter charge transfer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Direct observation of electric field induced pattern formation and particle aggregation in ferrofluids

Ferrofluids typically respond to magnetic fields and can be manipulated by external magnetic fields. Here, we report on formation of visually observable patterns in a diluted low-polarity ferrofluid exposed to external electric fields. This presents a specific type of ferrofluid structure driven by a combined effect of electrohydrodynamics and electrical body forces. The free charge and permittivity variation are considered to play a key role in the observed phenomenon. The corresponding changes in the ferrofluid structure have been found at nanoscale as well. By small-angle neutron scattering (SANS), we show that the magnetic nanoparticles aggregate in direct current (dc) electric field with a strong dependence on the field intensity. The anisotropic aggregates preferably orient in the direction of the applied electric field. Conducting SANS experiments with alternating current (ac) electric fields of various frequencies, we found a critical frequency triggering the aggregation process. Our experimental study could open future applications of ferrofluids based on insulating liquids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effect of microstructure on the coupled electromagnetic-thermo-mechanical response of cyclotrimethylenetrinitramine-estane energetic aggregates to infrared laser radiation

The coupled electromagnetic (EM)-thermo-mechanical response of cyclotrimethylenetrinitramine-estane energetic aggregates under laser irradiation and high strain rate loads has been investigated for various aggregate sizes and binder volume fractions. The cyclotrimethylenetrinitramine (RDX) crystals are modeled with a dislocation density-based crystalline plasticity formulation and the estane binder is modeled with finite viscoelasticity through a nonlinear finite element approach that couples EM wave propagation with laser heat absorption, thermal conduction, and inelastic deformation. Material property and local behavior mismatch at the crystal-binder interfaces resulted in geometric scattering of the EM wave, electric field and laser heating localization, high stress gradients, dislocation density, and crystalline shear slip accumulation. Viscous sliding in the binder was another energy dissipation mechanism that reduced stresses in aggregates with thicker binder ligaments and larger binder volume fractions. This investigation indicates the complex interactions between EM waves and mechanical behavior, for accurate predictions of laser irradiation of heterogeneous materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Influence of pH and sequence in peptide aggregation via molecular simulation

We employ a recently developed coarse-grained model for peptides and proteins where the effect of pH is automatically included. We explore the effect of pH in the aggregation process of the amyloidogenic peptide KTVIIE and two related sequences, using three different pH environments. Simulations using large systems (24 peptides chains per box) allow us to describe the formation of realistic peptide aggregates. We evaluate the thermodynamic and kinetic implications of changes in sequence and pH upon peptide aggregation, and we discuss how a minimalistic coarse-grained model can account for these details.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Early-stage human islet amyloid polypeptide aggregation: Mechanisms behind dimer formation

Amyloid aggregates of human islet amyloid polypeptide (hIAPP or human amylin) have long been implicated in the development of type II diabetes. While hIAPP is known to aggregate into amyloid fibrils, it is the early-stage prefibrillar species that have been proposed to be cytotoxic. A detailed picture of the early-stage aggregation process and relevant intermediates would be valuable in the development of effective therapeutics. Here, we use atomistic molecular dynamics simulations with a combination of enhanced sampling methods to examine the formation of the hIAPP dimer in water. Bias-exchange metadynamics calculations reveal relative conformational stabilities of the hIAPP dimer. Finite temperature string method calculations identify pathways for dimer formation, along with relevant free energy barriers and intermediate structures. We show that the initial stages of dimerization involve crossing a substantial free energy barrier to form an intermediate structure exhibiting transient beta-sheet character, before proceeding to form an entropically stabilized dimer structure.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Data-driven insights into the fluorescence of asphaltene aggregates using extended Frenkel exciton model

The origin of the fluorescence redshift during asphaltene aggregation remains debated due to the great diversity of asphaltene molecules, while the extended Frenkel exciton model provided a theoretical framework for studying multi-chromophore systems, such as asphaltene aggregates. We investigated the fluorescence energy of hundreds of asphaltene dimers based on 133 experimental revealed asphaltene monomer structures. Our result shows that the dimer's fluorescence energy is always lower than both of its monomers regardless of its intermolecular conformation, with its redshift dominated by superexchange. The dimer oscillator strength predominantly depends on the monomer with the lower fluorescence energy, and the involvement of charge-transfer states and the cancellation between monomer transition dipole moments suppressed the fluorescence especially when two monomers have similar fluorescence energy. The above-mentioned findings hold for all asphaltene dimers despite their diversity, which offers a theoretical interpretation for comprehending the relationship between asphaltene aggregation and its fluorescence variation. Furthermore, this work provides theoretical guidance to other research areas related to organic planar conjugated systems with multiple chromophores.

Chemistry↗
DOE OSTI2013

Optical properties of three-layer metal-organic nanoparticles with a molecular J-aggregate shell

This paper examines the optical properties of two types of spherical three-component nanoparticles: (1) particles comprising a metallic core, outer organic dye J-aggregate shell and passive intermediate layer and (2) metallic nanoshells having an insulator or semiconductor core and coated with a molecular J-aggregate layer. The two types of nanoparticles are shown to differ significantly in the behaviour of electromagnetic fields and photoabsorption spectra. As a result of additional possibilities to control the magnitude and nature of the coupling between Frenkel excitons and localised surface plasmons in these systems, the spectral properties of the three-layer particles have radically new inherent features in comparison with earlier studied metal/J-aggregate bilayer particles. In the case of J-aggregate-coated metallic nanoshells, particular attention is paid to the strong plasmon – exciton coupling regime, which takes place when the plasmon resonance frequency of the nanoshell approaches the centre frequency of the J-band of the dye forming the outer layer of the particle. (optics of nanoparticles)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Optical and photoelectric properties of multichromic cyanine dye J-aggregates

We report the results of investigation of spectra and kinetics of photoluminescence as well as of photoabsorption and photoelectric properties for multichromic molecular crystals consisting of J-aggregates of three cyanine dyes with various structures. An original ‘self-assembly’ method is used for fabricating such prolate ordered structures with a thickness of 5 – 100 nm, width of 0.1 – 5 μm, and length of 50 – 300 μm. The method is based on the formation of the anionic platform in a water solution, which absorbs light in the blue spectrum range and comprises J-aggregates of magnesium complexes of anionic cyanine dye. Then the ‘matrix synthesis’ is used for coating its surface with J-aggregates of the two cationic dyes that have the absorption maxima in the green and red spectral ranges. It is shown that each of the multichromic organic crystals produced in this way is a multilayer photoelement, which possesses photoconductivity in three excitonic absorption maxima (in the blue, green, and red spectral ranges) with the external quantum efficiency varying from 2.7 % to 6.1 %. The results obtained provide a basis for technological development of highly-ordered molecular structures, which are promising for using in organic and hybrid photonics and optoelectronics including thin-film photo-converters operating in wide spectral ranges.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Extraction Selectivity of a Quaternary Alkylammonium Salt for Trivalent Actinides over Trivalent Lanthanides: Does Extractant Aggregation Play a Role?

In this paper, the extraction behavior of a quaternary alkylammonium salt extractant was investigated for its selectivity for trivalent actinides over trivalent lanthanides in nitrate and thiocyanate media. The selectivity was evaluated by solvent extraction experiments through radiochemical analysis of 241 Am and 152/154 Eu. Solvent extraction distribution and slope-analysis experiments were performed with americium(III) and europium(III) with respect to the ligand (nitrate and thiocyanate), extractant, and metal (europium only) concentrations. Further evaluation of the equilibrium expression that governs the extraction process indicated the appropriate use of the saturation method for estimation of the aggregation state of quaternary ammonium extractants in the organic phase. From the saturation method, we observed an average aggregation number of 5.4 ± 0.8 and 8.5 ± 0.9 monomers/aggregate for nitrate and thiocyanate, respectively. Through a side-by-side comparison of the nitrate and thiocyanate forms, we discuss the potential role of the aggregation in the increased selectivity for trivalent actinides over trivalent lanthanides in thiocyanate media.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Distribution System Congestion Management - A Survey of Reliable Integration for Aggregated Resources and Microgrids

Rising penetration of consumer-owned Distribution Grid Resources (DGRs), increasingly managed by third party aggregators and enrolled in grid services and wholesale market programs, can create localized congestion in distribution networks. Managing these constraints is challenging due to a persistent coordination and information gap: utilities are accountable for reliability and have network topology and state visibility, while aggregators control the DGR capability needed to relieve congestion. This survey synthesizes congestion management solutions for distribution systems with high DGR penetration, covering both market-based mechanisms (distribution level markets, locational pricing, flexibility auctions) and non-market-based solutions (network reconfiguration, direct DGR control, demand response, curtailment, etc.). The literature is organized across three decision horizons: long term planning, operational planning, and real-time operation. Special attention is devoted to emerging distribution system operator architectures and coordination frameworks spanning transmission system operators, aggregators, and microgrids. Drawing on recent case studies and implementations, we distill best practices, identify key technical and economic barriers, and outline research directions. The evidence points to a shift toward integrated congestion management that combines market signals with technical controls, enabled by improved monitoring, forecasting, and closed loop control capabilities.

Active Distribution Networks (ADN)↗
DOE OSTI2012

Aggregate Model for Heterogeneous Thermostatically Controlled Loads with Demand Response

Due to the potentially large number of Distributed Energy Resources (DERs) – demand response, distributed generation, distributed storage - that are expected to be deployed, it is impractical to use detailed models of these resources when integrated with the transmission system. Being able to accurately estimate the fast transients caused by demand response is especially important to analyze the stability of the system under different demand response strategies. On the other hand, a less complex model is more amenable to design feedback control strategies for the population of devices to provide ancillary services. The main contribution of this paper is to develop aggregated models for a heterogeneous population of Thermostatic Controlled Loads (TCLs) to accurately capture their collective behavior under demand response and other time varying effects of the system. The aggregated model efficiently includes statistical information of the population and accounts for a second order effect necessary to accurately capture the collective dynamic behavior. The developed aggregated models are validated against simulations of thousands of detailed building models using GridLAB-D (an open source distribution simulation software) under both steady state and severe dynamic conditions caused due to temperature set point changes.

Zhang, Wei↗
DOE OSTI2012

Global Data Re-allocation via Communication Aggregation in Chapel

Chapel is a parallel programming language designed to improve the productivity and ease of use of conventional and parallel computers. This language currently delivers sub optimal performance when executing codes that perform global data re-allocation operations on distributed memory architectures. This is mainly due to data communication that is done without aggregation (one message for each remote array element). In this work, we analyze Chapel's standard Block and Cyclic distribution modules and optimize the communication routines for array assignments by performing aggregation. Thanks to the expressive power of Chapel, the compiler and runtime have enough information to do communication aggregation without user intervention. The runtime relies on the low-level GAS Net networking layer, whose versions of one-sided bulk put/get routines that support strides are particularly useful for us. Experimental results conducted on Hector (a Cray XE6) and Jaguar (Cray XK6)reveal that the implemented techniques can lead to significant reductions in communication time.

Sanz, Alberto↗
DOE OSTI2015

Generalized Aggregation and Coordination of Residential Loads in a Smart Community

Flexibility from residential loads presents an enormous potential to provide various services to the smart grid. In this paper, we propose a unified hierarchical framework for aggregation and coordination of various residential loads in a smart community, such as Thermostatically Controlled Loads (TCLs), Distributed Energy Storages (DESs), residential Pool Pumps (PPs), and Electric Vehicles (EVs). A central idea of this framework is a virtual battery model, which provides a simple and intuitive tool to aggregate the flexibility of distributed loads. Moreover, a multi-stage Nash-bargainingbased coordination strategy is proposed to coordinate different aggregations of residential loads for demand response. Case studies are provided to demonstrate the efficacy of our proposed framework and coordination strategy in managing peak power demand in a smart residential community.

Hao, He↗
DOE OSTI2018

Aggregate Protection Response of Motor Loads in Commercial Buildings

Protection plays a critical role in determining the dynamic response of the induction motor loads and the overall performance of composite load models when subjected to voltage sags or disturbances. Up to date, due to lack of understanding of the aggregate performance of the protection of motors, protection modeling of the motors becomes one of the least accurate parts in dynamic (composite) load models. This paper fills this gap by providing detailed analysis of the motor loads and their associated protection in commercial buildings and deriving the aggregate protection response based on integrated transmission and distribution dynamic co-simulation. The results showed that the aggregate protection response of motor loads varies significantly among different classes, which indicates the protection modeling that has been developed based on the assumption of similar or even identical responses and used in some composite load models need to be updated.

Huang, Qiuhua↗
DOE OSTI2018

Load Aggregation Methods for Quasi-Static Power Flow Analysis on High PV Penetration Feeders

This paper focuses on developing load aggregation methodologies for analyzing quasi-static power flows on high photovoltaic penetrated distribution feeders so statistics of the transformer loading levels, voltage ramping events, and voltage violation events can be properly quantified. A load profile aggregation algorithm is presented to construct 24-hour, minute-by-minute load profiles at each load node on the test feeder so the aggregation of those load profiles matches the load profile measured at the feeder head. A quasi-static power flow analyses are conducted to obtain minute-by-minute power flow results that can be used to quantify transformer overloads and voltage issues in distribution systems. To demonstrate the effectiveness of the developed methodology, the IEEE-123 test feeder model and residential load profiles collected from the PECAN street project are used in the case studies. Simulation results show that the method is effective in producing the required operation statistics.

Load aggregaton, PV integration, quasi-static powe↗