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At least 667 records · Page 37

Effects of Intra- and Interchain Interactions on Exciton Dynamics of PTB7 Revealed by Model Oligomers

Recent studies have shown that molecular aggregation structures in precursor solutions of organic photovoltaic (OPV) polymers have substantial influence on polymer film morphology, exciton and charge carrier transport dynamics, and hence, the resultant device performance. To distinguish photophysical impacts due to increasing π-conjugation from chain lengthening and π–π stacking from single/multi chain aggregation in solution and film, we used oligomers of a well-studied charge transfer polymer PTB7 with different lengths as models to reveal intrinsic photophysical properties of a conjugated segment in the absence of inter-segment aggregation. In comparison with previously studied photophysical properties in polymeric PTB7, we found that oligomer dynamics are dominated by a process of planarization of the conjugated backbone into a quinoidal structure that resembles the self-folded polymer and that, when its emission is isolated, this quinoidal excited state resembling the planar polymer chain exhibits substantial charge transfer character via solvent-dependent emission shifts. Furthermore, the oligomers distinctly lack the long-lived charge separated species characteristic of PTB7, suggesting that the progression from charge transfer character in isolated chains to exciton splitting in neat polymer solution is modulated by the interchain interactions enabled by self-folding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling dust mineralogical composition: sensitivity to soil mineralogy atlases and their expected climate impacts

Soil dust aerosols are a key component of the climate system, as they interact with short- and long-wave radiation, alter cloud formation processes, affect atmospheric chemistry and play a role in biogeochemical cycles by providing nutrient inputs such as iron and phosphorus. The influence of dust on these processes depends on its physicochemical properties, which, far from being homogeneous, are shaped by its regionally varying mineral composition. The relative amount of minerals in dust depends on the source region and shows a large geographical variability. However, many state-of-the-art Earth system models (ESMs), upon which climate analyses and projections rely, still consider dust mineralogy to be invariant. The explicit representation of minerals in ESMs is more hindered by our limited knowledge of the global soil composition along with the resulting size-resolved airborne mineralogy than by computational constraints. In this work we introduce an explicit mineralogy representation within the state-of-the-art Multiscale Online Nonhydrostatic AtmospheRe CHemistry (MONARCH) model. We review and compare two existing soil mineralogy datasets, which remain a source of uncertainty for dust mineralogy modeling and provide an evaluation of multiannual simulations against available mineralogy observations. Soil mineralogy datasets are based on measurements performed after wet sieving, which breaks the aggregates found in the parent soil. Our model predicts the emitted particle size distribution (PSD) in terms of its constituent minerals based on brittle fragmentation theory (BFT), which reconstructs the emitted mineral aggregates destroyed by wet sieving. Our simulations broadly reproduce the most abundant mineral fractions independently of the soil composition data used. Feldspars and calcite are highly sensitive to the soil mineralogy map, mainly due to the different assumptions made in each soil dataset to extrapolate a handful of soil measurements to arid and semi-arid regions worldwide. For the least abundant or more difficult-to-determine minerals, such as iron oxides, uncertainties in soil mineralogy yield differences in annual mean aerosol mass fractions of up to ~ 100 %. Although BFT restores coarse aggregates including phyllosilicates that usually break during soil analysis, we still identify an overestimation of coarse quartz mass fractions (above 2 µm in diameter). In a dedicated experiment, we estimate the fraction of dust with undetermined composition as given by a soil map, which makes up ~ 10 % of the emitted dust mass at the global scale and can be regionally larger. Changes in the underlying soil mineralogy impact our estimates of climate-relevant variables, particularly affecting the regional variability of the single-scattering albedo at solar wavelengths or the total iron deposited over oceans. All in all, this assessment represents a baseline for future model experiments including new mineralogical maps constrained by high-quality spaceborne hyperspectral measurements, such as those arising from the NASA Earth Surface Mineral Dust Source Investigation (EMIT) mission.

54 ENVIRONMENTAL SCIENCES↗

Therapeutic genetic variation revealed in diverse Hsp104 homologs

The AAA+ protein disaggregase, Hsp104, increases fitness under stress by reversing stress-induced protein aggregation. Natural Hsp104 variants might exist with enhanced, selective activity against neurodegenerative disease substrates. However, natural Hsp104 variation remains largely unexplored. Here, we screened a cross-kingdom collection of Hsp104 homologs in yeast proteotoxicity models. Prokaryotic ClpG reduced TDP-43, FUS, and α-synuclein toxicity, whereas prokaryotic ClpB and hyperactive variants were ineffective. Furthermore, we uncovered therapeutic genetic variation among eukaryotic Hsp104 homologs that specifically antagonized TDP-43 condensation and toxicity in yeast and TDP-43 aggregation in human cells. We also uncovered distinct eukaryotic Hsp104 homologs that selectively antagonized α-synuclein condensation and toxicity in yeast and dopaminergic neurodegeneration in C. elegans . Surprisingly, this therapeutic variation did not manifest as enhanced disaggregase activity, but rather as increased passive inhibition of aggregation of specific substrates. By exploring natural tuning of this passive Hsp104 activity, we elucidated enhanced, substrate-specific agents that counter proteotoxicity underlying neurodegeneration.

59 BASIC BIOLOGICAL SCIENCES↗

Simulation of PV Variability as a Function of PV Generation and Plant Size: Preprint

The deployment of photovoltaic (PV) systems continues to show significant expansion; however, this growth has brought added attention to issues around the variability of the solar resource. Both spatial and temporal variability exist. Temporal scales can range from the sub-second to multiyear, whereas spatial scales can range from a few meters to tens of kilometers. There are multiple methods described in the literature to quantify PV variability at various spatial and temporal scales. This study focuses on short-term temporal variability and uses similar approaches with the addition of PV plant size a parameter to quantify variability. The method employed here incorporates the normalization of clear- and cloudy-sky conditions and PV plant size to quantify nominal variability metrics. The distribution and fluctuations of these metrics provide relevant information that is useful for system operations. The National Solar Radiation Database (NSRDB) is used to simulate PV variability as a function of PV generation and plant size. Hypothetical but realistic system information at 33 locations is used to model PV generation by feeding NSRDB solar irradiance data to the National Renewable Energy Laboratory’s System Advisor Model (SAM). Over the selected region, it is found that the aggregated ramp rates for the 1-minute data are associated with standard deviations ranging from 0.002–0.055 on a daily basis; however, hourly intervals induce higher aggregated ramp rates than the other timescales. Even though minute-to-minute variations are significant for the 1-minute timescale, the standard deviation aggregated into a daily metric is smaller because of the cancellation of values.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Consensus-Based Approach for Active Power Control and Reserve Estimation in Distributed PV Systems: Preprint

With the increased adoption of distributed energy resources (DER), they are expected to contribute to power system reliability services and enhance power system stability. This paper presents a distributed consensus control approach for the real-time active power reserve estimation and power management in distributed PV (photovoltaic) systems. The proposed method estimates the cumulative active power reserve from numerous PV generators using only the sparse communication network for a DER aggregator to provide active power regulation services. The real-time active power reserve estimation using the proposed approach can be used by DER aggregators to manage curtailment in distributed PV systems to maintain stipulated reserves and further to provide power system frequency regulation. Using the proposed approach, the DER aggregator only requires measurements at the feeder substation and it does not require information from individual DER units, thereby improving system resiliency. The proposed distributed consensus control method is validated on IEEE 123 testbed using PSCAD simulations.

active power reserve↗

Hierarchal framework for integrating distributed energy resources into distribution systems

Methods and apparatus are disclosed for providing a hierarchical framework for integrating distributed energy resources into power distribution systems. In one example of the disclosed technology, a method implemented with an aggregation server includes receiving a respective utility function associated with each of at least two of a plurality of distributed energy resources representing an amount of energy produced or consumed by the respective associated distributed energy resource as a function of energy price, producing an aggregated utility function associated with the plurality of distributed energy resources based on the received utility functions, transmitting the produced aggregated utility function to a coordinator, receiving a clearing value from the coordinator, and transmitting the received clearing value to each of the plurality of distributed energy resources.

Lian, Jianming↗

Multi-Kernel Adaptive Support Vector Machine for Scalable Predictive Maintenance

Application of data-driven solutions across an industry is challenging, since the data are often stored locally, and increasing privacy and security concerns restrict access to the data. In addition, it is highly unlikely that all potential data patterns are captured in a single data source. Because it is highly unlikely that all potential data patterns are captured in a single data source, machine learning (ML) models developed from a single source cannot be robust enough. An alternative is to train the ML model at each source and develop a distributed knowledge discovery and aggregation approach to build global knowledge. In this paper, we develop and demonstrate a distributed ML model, federated transfer learning (FTL), using a multi-kernel-based adaptive support vector machine (MK-A-SVM). For federated learning (FL), the multi-kernel (MK) approach enables feature-specific model aggregation under data heterogeneity; whereas for transfer learning (TL) the adaptive model enables utilization of an aggregated model from a different task. The proposed approach is validated using nuclear power plant (NPP) vertical motor-driven pump data to predict the health condition of vertical motor-driven pumps as an anomaly detection. The efficiency of the proposed approach is also quantified and compared with neural network.

42 ENGINEERING↗

Power system restoration incorporating diverse distributed energy resources

An example system includes an aggregator configured to receive a service collaboration request and iteratively determine, based on minimum and maximum power values for DERs under its management, an optimized operation schedule. The aggregator may also be configured to iteratively determine, based on the optimized operation schedule, an estimated flexibility range for devices under its management and output an indication thereof. The system may also include a power management unit (PMU) configured to iteratively receive the indication and determine, based on a network model that includes the estimated flexibility range, a reconfiguration plan and an overall optimized operation schedule for the network. The PMU may also be configured to iteratively cause reconfiguration of the network based on the plan. The PMU and aggregator may also be configured to iteratively, at a fast timescale, cause energy resources under their management to modify operation based on the overall optimized operation schedule.

Ding, Fei↗

Wash Penalty Factors: Insight into the Effects of Water Wash Down of Building Materials for Radionuclide/Nuclear (Rn) Decontamination - 20153

The release of radiological material to the urban environment can have a devastating socio-economic impact. In an urban release scenario, areas around the dispersal epicenter and any areas contaminated via atmospheric deposition may require extensive decontamination. Most recently, our group reported the decontamination efficacy of pressurized water washing of common porous building materials, and compared the penetration depth of the contaminations before and after exposure to pressurized tap water. Here, we continue evaluation of the decontamination efficacy of wash solutions based on potassium (K{sup +}) salt for cesium (Cs), strontium (Sr), and europium (Eu) contaminations on common building surfaces. The surfaces included: the cement used in concrete, the aggregate used in concrete, intact concrete, roadway asphalt, asphalt shingles, and latex paint. We deposited solutions of {sup 137}Cs, {sup 85}Sr, and {sup 152}Eu onto numerous common building materials and exposed these materials to a static bath or low-pressure flow of tap water, 0.1 M potassium chloride (KCl), and 0.5 M KCl. The decontamination efficacy and the depth profile for residual contamination were measured to determine the conditions under which applying a wash solution has benefit compared to physically removing the surface material. To aid in these analyses, we introduced a 'wash penalty factor' to quantify the degree to which contamination migrated into the bulk material by the action of the wash method. On asphalt, 70-80% of the radionuclides were found to be within 0.02 mm of the surface. Cs{sup +} bonded to negative charge sites on the surface of the mineral aggregate (used in concrete) so decontamination was improved by ion exchange with K{sup +}. Sr{sup 2+} is soluble and removed by water, while not bonding to aggregate or demonstrating solubility in the liquid asphalt. Eu{sup 3+} is precipitated and not removed in gentle wash but displays mobility within the pore space that suggests its presence as a colloid. Concrete is more porous than asphalt, and 80% of the radionuclides were within 0.2 mm of the surface for {sup 137}Cs and {sup 152}Eu and 50- 80% for {sup 85}Sr. On concrete, Cs{sup +} bonds similarly to asphalt. Sr{sup 2+} bonds to the cement or precipitates from the alkaline pore water. Eu{sup 3+} sorbs to the cement and then precipitates. In brick, the results for Cs{sup +} and Sr{sup 2+} suggested that diffusion of ions from deeper in the coupon was important. Eu{sup 3+} is removed poorly due to precipitation. We will explain and report example wash penalty factors that vary from 0 to > 1 for the various methods and the implications for deciding when to implement wash down methods. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Autonomous Intelligent Charging/Discharging of Electric Vehicles using Distributed Multi-Agent ADMM Framework for Grid Ancillary Services

The increasing popularity of Electric Vehicles (EVs) in the distribution grid along with technological advancement in EV electronics such as vehicle to grid (V2G) technique has enabled them to participate in grid ancillary services. To achieve this, the EVs need to establish a contract with third-party aggregators and connect to a charging unit, either residential or commercial. At any time they are connected, the EVs can decide to take part in the ancillary services program offered to them by the aggregators. If agreed, the aggregators will use the EVs as a power source capable of charging/discharging power according to the input signal, and in return, they will be compensated. This inter-temporal nature of charging/discharging is also transforming the traditional optimal power flow (OPF) problem into a dynamic OPF problem. This chapter aims at developing a multi-layer time-dependent optimization algorithm to utilize EV potential and provide ancillary services while maximizing its utilization function. Specifically, in the upper layer, an autonomous distributed ADMM algorithm is developed to optimize the cost for charging/discharging EVs while using them to regulate the voltage at each bus in the distribution grid. The distributed ADMM algorithm is also expanded to the lower layer where the individual EVs active and reactive power is controlled for voltage regulation while maintaining the desired state of the charge of the vehicle at the end of the charging period. Here, the effectiveness and performance improvement of the proposed multi-layer algorithm is illustrated through analytical analysis and simulation results.

Rahman, Towfiq↗

Autonomous Intelligent Charging/Discharging of Electric Vehicles using Distributed Multi-Agent ADMM Framework for Grid Ancillary Services

The increasing popularity of Electric Vehicles (EVs) in the distribution grid along with technological advancement in EV electronics such as vehicle to grid (V2G) technique has enabled them to participate in grid ancillary services. To achieve this, the EVs need to establish a contract with third-party aggregators and connect to a charging unit, either residential or commercial. At any time they are connected, the EVs can decide to take part in the ancillary services program offered to them by the aggregators. If agreed, the aggregators will use the EVs as a power source capable of charging/discharging power according to the input signal, and in return, they will be compensated. This inter-temporal nature of charging/discharging is also transforming the traditional optimal power flow (OPF) problem into a dynamic OPF problem. This chapter aims at developing a multi-layer time-dependent optimization algorithm to utilize EV potential and provide ancillary services while maximizing its utilization function. Specifically, in the upper layer, an autonomous distributed ADMM algorithm is developed to optimize the cost for charging/discharging EVs while using them to regulate the voltage at each bus in the distribution grid. The distributed ADMM algorithm is also expanded to the lower layer where the individual EVs active and reactive power is controlled for voltage regulation while maintaining the desired state of the charge of the vehicle at the end of the charging period. The effectiveness and performance improvement of the proposed multi-layer algorithm is illustrated through analytical analysis and simulation results.

Rahman, Towfiq↗

Responses of Drying-rewetting (Transient Soil Moisture) and Steady State Soil Moisture Incubation on Soil Organic Carbon Dynamics in Three US Soils, 2017

This data set contains measurements of soil characteristics (aggregate size distribution and mean size, total aggregate associated carbon, extractable organic C, and microbial biomass C), microbial respiration, and soil metabolite concentrations from a transient and steady soil moisture incubation experiment using soils of different textures (sandy, loamy, and clayey). The study investigated mechanisms driving the Birch effect (increased carbon mineralization pulses with wetting following a drying period) in differing soil textures. Three different soils of distinctly different textures were collected from 0-15cm depth in Georgia (sandy, 2017-05-01), Missouri (loamy, 2017-06-14), and Texas (clayey, December 2017). Soils were incubated for 140 days with destructive harvests done on days 1, 29, 33, 56, 112, 116, and 140 in transient soil moisture incubation and on days 1, 33, 116, and 140 in steady state soil moisture incubation. This dataset contains six data files in comma separate (.csv) format. Additional metadata are provided: six data dictionaries and a file-level metadata file in comma separate (*.csv) format and a user guide in PDF (*.pdf) format.

1-Methyladenosine concentration↗

Continuous Processing of Carbon Foam Products Made from Coal at Atmospheric Pressure

The main goal of the project was to create a continuous manufacturing process for carbon foam that operates at atmospheric pressure and can generate well-formed carbon foam panels and lightweight aggregates. This objective was accomplished and has enabled a platform where carbon foam products can be manufactured at significantly reduced cost and cycle time relative to the conventional high-pressure batch process, which in turn can enable the manufacture of much larger volumes of carbon foam. All these features should enable carbon foam to enter much larger markets and create meaningful demand for U.S. coal. Carbon foam panels and aggregate both consisted of at least 70 weight percent carbon per program requirements (typical was over 90-wt%), and at least 51 weight percent of the carbon was to be coal derived (typical was over 90-wt% carbon was from coal). Analyses regarding life cycle, technoeconomics, and final technological gaps have been documented in separate reports. This final report documents the methods used to attain the main goal and describes the technical results.

01 COAL, LIGNITE, AND PEAT↗

Peptide-assisted supramolecular polymerization of the anionic porphyrin meso-tetra(4-sulfonatophenyl)porphine

Electronics made from biological materials are desirable for use in medical devices, biosensors, and soft robotics because they have properties inaccessible to current inorganic technologies. Here, a series of cationic peptides were developed to self-assemble with the anionic porphyrin meso-tetra(4-sulfonatophenyl)porphine (TPPS4) into supramolecular light-harvesting wires known as J-aggregates were developed. In addition to quantifying the binding events between each peptide and TPPS 4 , we found co-incubation with mixed peptides allowed TPPS 4 to bridge two different peptides at their terminal porphyrin-binding regions. The J-aggregates formed on macroscopic scale in near quantitative yield within similar to 3 h and readily interconverted with the soluble monomers upon cycling the pH; to our knowledge, this is the first report of a peptide-porphyrin system with such properties. This work has practical and conceptual relevance to the development of new bioelectronic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Symbiotic bacteriophages exhibit multiple adaptive strategies in activated sludge flocs and contribute to floc stability

Despite the importance of phages for the dynamics and functions of microbial communities, it remains largely unexplored how symbiotic phages adapt in activated sludge systems and influence microbial aggregate stability, which is critical for clarification and reliable performance. Here, based on 12,127 phage contigs recovered from 12 activated sludge microbiomes, the symbiotic phages exhibited broad host ranges and infected dominant prokaryotes in activated sludge. Moreover, these phage communities exhibited high lysogenicity (49% to 66% lysogenic phages) and harbored diverse auxiliary metabolic genes (AMGs) that could enhance microbial aggregate stability, such as genes coding for lipopolysaccharide, peptidoglycan, and extracellular polysaccharide biosynthesis. Additionally, prokaryotic antiviral systems were widely distributed in dominant prokaryotes, particularly the Restriction-Modification (RM) and CRISPR-Cas systems, which could mitigate potential harmful phage infections. Overall, this study reveals the contemporary beneficial relationship between phages and prokaryotic hosts in activated sludge microbiomes and the potential benefits of symbiotic phages on floc stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Correlating inter-particle forces and particle shape to shear-induced aggregation/fragmentation and rheology for dilute anisotropic particle suspensions: A complementary study via capillary rheometry and in-situ small and ultra-small angle X-ray scattering

Predicting the stability of suspensions composed of anisotropic particles is difficult due to the complexity and interplay of hydrodynamic and colloidal forces. For example, it is not well understood how non-spherical particle shapes affect suspension-rheological responses. This study presents evidence showing how the stacking of boehmite platelets dispersed in aqueous solution leads to moderate shear thinning, even at low boehmite mass fractions. Wide angle X-ray, small angle X-ray, and ultra-small angle X-ray scattering were used to simultaneously monitor changes to the size and fractal dimensions of boehmite aggregates from 6 – 10,000 Å as the sample was recirculated through an in situ capillary rheometer. The latter also provided simultaneous measurements of the viscosity of the suspensions. Computational fluid dynamics modeling of the apparatus was used to provide a more rigorous analysis of the fluid flow. In addition to shear-induced aggregation/fragmentation correlated to a complicated balance between hydrodynamic and colloidal forces, the results indicate that orientationally-dependent interactions, arising from non-spherical boehmite aggregate sub-units, may explain the relatively large experimental viscosity when the hydrodynamic force is small compared to colloidal forces. Ultimately, the results from this study can provide a foundation for future work investigating particle shape effects on colloidal and hydrodynamics forces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Physical protection regulates microbial thermal responses to chronic soil warming

Climate warming can affect the temperature sensitivity of microbial activity and growth efficiency, possibly explained by changes to microbially unavailable carbon (C) protected within in soil aggregates. Here, we assessed physical protection by crushing macroaggregates (250–2000 μm) and microaggregates (<250 μm) isolated from mineral soils exposed to 27 years of experimental warming (+5 °C). We hypothesized that removal of physical protection would increase microbial activity and reduce C use efficiency (CUE). We found that crushing increased microbial respiration and biomass turnover rate, but did not affect CUE. We also hypothesized that long-term warming would reduce the effect of physical protection on microbial activity, and that physical protection would attenuate microbial temperature sensitivity in heated compared to control soils. We found that long-term warming was associated with a smaller effect of physical protection for microbial respiration but with a larger effect for biomass turnover rate in macroaggregates. Physical protection reduced the temperature sensitivity of respiration but enhanced the temperature sensitivity of microbial biomass turnover rate in heated compared to control soils. Our work shows that long-term warming has contrasting effects on how microbial respiration, biomass turnover rate, and their thermal responses are mediated by physical protection within soil aggregates.

59 BASIC BIOLOGICAL SCIENCES↗

Deamidation of the human eye lens protein $\gamma$S-crystallin accelerates oxidative aging

Cataract, a clouding of the eye lens from protein precipitation, affects millions of people every year. The lens proteins, the crystallins, show extensive post-translational modifications (PTMs) in cataractous lenses. The most common PTMs, deamidation and oxidation, promote crystallin aggregation; however, it is not clear precisely how these PTMs contribute to crystallin insolubilization. Here, we report six crystal structures of the lens protein γS-crystallin (γS): one of the wild-type and five of deamidated γS variants, from three to nine deamidation sites, after sample aging. The deamidation mutations do not change the overall fold of γS; however, increasing deamidation leads to accelerated disulfide-bond formation. Addition of deamidated sites progressively destabilized protein structure, and the deamidated variants display an increased propensity for aggregation. Here these results suggest that the deamidated variants are useful as models for accelerated aging; the structural changes observed provide support for redox activity of γS-crystallin in the lens.

59 BASIC BIOLOGICAL SCIENCES↗