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At least 1,027 records · Page 57

Neural network modeling of in situ fluid-filled pore size distributions in subsurface shale reservoirs under data constraints

Subsurface nuclear magnetic resonance (NMR) logs acquired in the wellbore environment are sensitive to fluid-filled pore size distribution, fluid mobility, permeability, and porosity in the near-wellbore reservoir volume. NMR response of a formation layer is processed to extract the T2 distribution, which approximates the fluid-filled pore size distribution. NMR logs are acquired in limited number of wells due to financial and operational challenges, which adversely affects reservoir characterization. We developed here two neural-network-based machine learning techniques, long short-term memory (LSTM) network and variational autoencoder with a convolutional layer (VAEc) network, to process the ‘easy-to-acquire’ formation mineral and fluid saturation logs to generate synthetic NMR T2 distributions in the absence of ‘hard-to-acquire’ NMR T2 distribution log. Both the predictive models are trained and tested on limited wireline log measurements randomly selected from a 300-ft depth interval of the Bakken shale formation. Synthesis performances of LSTM and VAEc models in terms of R 2 are 0.78 and 0.75, respectively. Noise is inevitable in logging data due to the complex wellbore and formation conditions. Notably, both the predictive models robustly synthesize the fluid-filled pore size distributions in the presence of 50% noise in input logs and 30% noise in training T2 data. The performance of the proposed methodology improves with access to larger volume of training data from other formation types. The proposed method is critical to the synthesis of in situ fluid-filled pore size distributions in shale formations under data constraints due to financial and operational challenges.

58 GEOSCIENCES↗

Singlet Oxygen Generating Properties of Different Sizes of Charged Graphene Quantum Dot Nanoconjugates with a Positively Charged Phthalocyanine

Various sizes of graphene quantum dots (GQDs) denoted as GQD{sub 2}, GQD{sub 6} and GQD{sub 10} (increasing in size) were non-covalently attached to 2,9,16,23-tetrakis[4-(N-methylpyridyloxy)]-phthalocyanine (ZnTPPcQ) to form GQDs-ZnTPPcQ nanoconjugates. X-ray photoelectron spectroscopy (XPS) showed that increasing sizes of GQDs decreases the atomic concentrations of oxygen, which leads to blue shift in spectra of the GQDs. Relative to Pcs alone (0.03), the presence of GQDs improved the singlet oxygen quantum yields with the following values: GQD{sub 2}-ZnTPPcQ (0.17), GQD{sub 6}-ZnTPPcQ (0.27) and GQD{sub 10}-ZnTPPcQ (0.11). GQD{sub 2}-ZnTPPcQ nanoconjugate system had the most ZnTPPcQ loading, but did not generate the most singlet oxygen species due to aggregation. This study shows that, the quantity of oxygen, size and quality of GQDs as well as amount of Pc loading are amongst the vital properties to consider when constructing GQD-nanoconjugate systems with optimal singlet oxygen quantum yields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Investigation of Size and Shape Dependencies of Phase Diagrams of the Ising Nanofilms and Nanotubes on the Honeycomb Lattice Using Cellular Automata Simulation Approach

Size and shape dependencies of phase diagrams of the Ising nanofilms and nanotubes on the honeycomb lattice are investigated by means of probabilistic cellular automata simulation based on Glauber algorithm. The values of reduced critical temperature, K{sub c} = k{sub B}T{sub c}/J (where k{sub B} and J are the Boltzmann constant and nearest-neighbor coupling, respectively), for both nanofilms and nanotubes, are obtained at the different sizes of the lattices and the dependency of K{sub c} to the number of layers is studied. By increasing the number of layers K{sub c} increases but for number of layer more than 8, the critical temperature increases very slowly. We have shown that between two isotropic nanotubes with the same number of spins, the ones with greater diameter (more spins on the edge) have larger critical temperature. For equal size of lattices, the obtained values of K{sub c} for nanotube are greater than the nanofilm, but for large sizes, this difference disappears.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effect of Different Nano-sized MgO Addition on YBa{sub 2}Cu{sub 3}O{sub 7-δ} Superconductor

The effect of nanoparticle with different size on a superconductor is interesting because the size of the coherence length, penetration depth, and the magnetic flux in a superconductor is in the nanometer range. In this paper, we report the effects of different nano-sized MgO (20, 40, and 100 nm) addition on YBa{sub 2}Cu{sub 3}O{sub 7-δ}(MgO){sub x} for x = 0, 0.1, and 0.2 wt.%. X-ray diffraction patterns indicated a single YBa{sub 2}Cu{sub 3}O{sub 7} (YBCO) phase where the peaks were shifted to larger angles in the 20- and 40-nm MgO-added samples indicating induced stress of first order in the structure. The electrical resistance versus temperature was measured using the four-probe method. The transition temperature, T{sub c}, for the pure YBCO showed T{sub c} = 90 K and was suppressed to 78–80 K for the 20- and 40-nm MgO-added samples. AC susceptibility (χ = χ′ + iχ″) measurements showed a shift in the peak temperature, T{sub p}, of the imaginary susceptibility χ″ towards lower temperatures for 20-nm MgO-added samples but increased with larger MgO (100 nm). This work showed that smaller nano-sized MgO suppressed the superconducting properties of YBCO more compared with the larger MgO.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effect of Pore Size, Morphology and Orientation on the Bulk Stiffness of a Porous Ti35Nb4Sn Alloy

The metal foams of a titanium alloy were designed to study porosity as well as pore size and shape independently. These were manufactured using a powder metallurgy/space-holder technique that allowed a fine control of the pore size and morphology; and then characterized and tested against well-established models to predict a relationship between porosity, pore size and shape, and bulk stiffness. Among the typically used correlations, existing power-law models were found to be the best fit for the prediction of macropore morphology against compressive elastic moduli, outperforming other models such as exponential, polynomial or binomial. Other traditional models such as linear ones required of updated coefficients to become relevant to metal porous sintered macrostructures. The new coefficients reported in this study contribute toward a design tool that allows the tailoring of mechanical properties through porosity macrostructure. The results show that, for the same porosity range, pore shape and orientation have a significant effect on mechanical performance and that they can be predicted. Conversely, pore size has only a mild impact on bulk stiffness.

36 MATERIALS SCIENCE↗

On the Size Dependence of Molar and Specific Properties of Independent Nano-phases and Those in Contact with Other Phases

Nano-materials are materials with at least one nano-phase. A nano-phase is a phase with at least one of its dimensions below 100 nm. It is shown here that nano-phases have at least 1% of their atoms along their surface layer. The ratio of surface atoms is proportional to the specific surface area of the phase, defined as the ratio of its surface area to its volume. Each specific/molar property has its bulk value and its surface value for the given phase, being always different, as the energetic states of the atoms in the bulk and in the surface layer of a phase are different. The average specific/molar property of a nano-phase is modeled here as a linear combination of the bulk and surface values of the same property, scaled with the ratio of the surface atoms. That makes the performance of all nano-phases proportional to their specific surface area. As the characteristic size of the nano-phase is inversely proportional to its specific surface area, all specific/molar properties of nano-phases are inversely proportional to the characteristic size of the phase. This is applied to the size dependence of the molar Gibbs energy of the nano-phase, which appears to be in agreement with the thermodynamics of Gibbs. This agreement proves the general validity of the present model on the size dependence of the specific/molar properties of independent nano-phases. It is shown that the properties of nano-phases are different for independent nano-phases (surrounded only by their equilibrium vapor phase) and for nano-phases in multi-phase situations, such as a liquid nano-droplet in the sessile drop configuration.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Very High Cycle Fatigue of a Cast Aluminum Alloy: Size Effect and Crack Initiation

Fatigue properties of an Al-Si-Cu cast alloy were investigated with life up to very high cycle fatigue regime. Particular attention was given to specimen size effect and fatigue crack initiation mechanism. Uniaxial fatigue tests with constant amplitudes were carried out by using ultrasonic fatigue testing machine operating at 20 kHz, compared to the results obtained by using conventional hydraulic fatigue machine at 35 Hz. In order to evaluate the size effect, two sets of specimens with different dimensions were used. The results show that the fatigue strength of the studied alloy decreases with the increase in specimen size. Scanning electron microscopy observation of fracture surfaces revealed that most fatigue cracks initiated from microstructural defects such as porosity located on specimen surface or in subsurface. Weibull statistical analysis of fatigue data accounting for size effect was performed to predict the fatigue life of the Al-Si-Cu alloy in the very high cycle regime. Good agreement was found between the fatigue life prediction and the experimental data.

36 MATERIALS SCIENCE↗

Impact of Parcel Size, Field Shape, Crop Yield, Storage Location, and Collection Equipment on the Performance of Single-Pass Cut-and-Chip Harvest System in Commercial Shrub Willow Fields

In this paper, an integrated system of harvesting, collecting, and transporting willow biomass crop to a storage site was modeled and evaluated using the IBSAL simulation model. A scenario analysis was used to quantify the impacts of five major input parameters on the performance of the integrated system. These parameters include parcel size, field shape, willow yield, distance to the storage site, and type of the collection equipment. Multiple performance indicators were identified to quantify the impacts on the system such as size of the equipment fleet, effective material and field capacity of the harvester, operating costs, and waiting times. The input data were collected from 36 commercial, short-rotation, shrub willow fields in northern New York State. The simulation results indicated that crop yield and type of collection equipment have the highest impact on operating costs and the equipment fleet size. As the size of equipment fleet increases in the system, variability in the system performance tends to increase. Field shape has the least impact on the overall system performance compared to the other four input parameters. The simulation results suggest that a combination of performance indicators need to be considered to evaluate the overall performance of the dynamic and complex system of harvesting, collection and transportation in commercial willow fields. The developed IBSAL model and scenario analysis approach can assist in planning this system based on the characteristics of field, crop, and logistical equipment to reach a high system performance.

54 ENVIRONMENTAL SCIENCES↗

Modeling and Optimization Methods for Controlling and Sizing Grid-connected Energy Storage: A Review

Purpose of Review Energy storage is capable of providing a variety of services and solving a multitude of issues in today's rapidly evolving electric power grid. This paper reviews recent research on modeling and optimization methods for optimally controlling and sizing grid-connected battery energy storage systems (BESSs). Open issues and promising research directions are discussed. Recent Findings Recent studies on BESS dispatch, evaluation, and sizing focus on advanced modeling and optimization methods to maximize stacked value streams from multiple services. BESS models have been improved to better represent operational characteristics or capture degradation effects. Different solution methods and optimization techniques have been proposed to improve the benefits and cost-effectiveness of BESSs, using deterministic approaches prevalently but with impressive progress in capturing and addressing uncertainties. Summary Recent progress in BESS scheduling and sizing better supports planning and operational decision-making in different use cases, which is highly important to advance the deployment of BESSs. Additional research is required to properly model the trade-off between short-term benefits and service life with multiple degradation effects explicitly considered in the decision-making process. Advanced methods are to be developed for effectively determining optimal BESS sizes that maximize overall benefits within a varying lifetime considering diversified system, conditions as well as uncertainties at planning and operational stages.

Wu, Di↗

Efficient Surrogate Model Development: Impact of Sample Size and Underlying Model Dimensions

This study compares eight surrogate-model construction approaches using computational experiments. Here, the construction approaches considered include: Artificial Neural Networks (ANNs), Automated Learning of Algebraic Models using Optimization (ALAMO), Radial Basis Networks (RBNs), Extreme Learning Machines (ELMs), Gaussian Progress Regression (GPR), Random Forests (RFs), Support Vector Regression (SVR), and Multivariate Adaptive Regression Splines. Each approach is used to construct surrogate models for predicting the outputs of thirty-four test functions. The data used to construct surrogate models were generated using Latin Hypercube Sampling (LHS), Halton and Sobol sampling methods. We studied the impact of sampling method, sample size, and challenge function characteristics on the accuracy of surrogate model predictions. Our results revealed that for smaller sample sizes, on average, surrogate models trained using the data points generated by Sobol sequences provided the best estimation for all surrogate model construction approaches. As the sample size increased, the impact of sampling methods diminished. The comparison of surrogate-modeling construction approaches at large sample sizes revealed that surrogate models trained using ANN, ALAMO, and ELM yielded smaller root mean squared error and higher adjusted R-squared values than the models trained using the rest of the approaches.

42 ENGINEERING↗

Palladium/Beta Zeolite Passive NOx Adsorbers (PNA): Clarification of PNA Chemistry and the Effects of CO and Zeolite Crystallite Size on PNA Performance

Model 0.3 wt% and 1 wt% Pd/Beta was synthesized with nano-sized Beta crystals (average size <50 nm) and defect-free large micrometer sized crystals with similar Si/Al ratios ~13 and 15. With the aid of FTIR we reveal the formation of at least two Pd(II)-NO and one Pd(I)-NO complexes upon NO adsorption on those materials under conditions relevant to PNA. Under higher NO pressures at room temperature, we detect the formation of the first palladium (II) dinitrosyl Pd(NO)2 complex, not observed previously on the solid supports or in organometallic compounds. O2 in dry streams promotes NO storage via additional formation of nitrosyl (NO+) ions; it also leads to stabilization of significant amounts of N2O3 in BEA pores. In the presence of water, NO storage capacity is dramatically lowered. However, in the presence of CO (which is always present in exhaust gas) the performance improves. With the aid of spectroscopy and PNA measurements we show that in the presence of CO stable mixed palladium(II) carbonyl nitrosyl complex [Pd(II)(CO)(NO)] is formed and responsible for enhanced NOx storage. This points to a general conclusion that the species responsible for NOx storage on various zeolites in the presence of water and CO, are in fact, Pd(II)(CO)(NO). Decreasing the Pd loading to 0.3 wt% improves Pd dispersion and NO/Pd storage ratio. We also demonstrate that varying crystal sizes of BEA leads to significant changes in the NOx release temperature as well as NO/Pd ratio. Larger, defect free crystals store more NOx and release it at higher temperature. Furthermore, larger crystals stay significantly more active for PNA after hydrothermal aging, losing very little activity compared with defective nanocrystals. High-field 27Al NMR results show that larger BEA crystals are more resistant to de-alumination upon hydrothermal aging (HTA), and thus are more attractive for PNA storage with Pd.

Khivantsev, Konstantin↗

Control of autophagosome size and number by Atg7

Highlights: • Low levels Atg7 lead to reduced autophagic flux in S. Cerevisiae. • Low levels of Atg7 lead to the formation of fewer and smaller autophagosomes. • A refined simulation improves estimates of autophagic body number from TEM images. The induction of bulk autophagy by nitrogen starvation in baker's yeast (S. cerevisiae) involves the upregulation of many autophagy related proteins, including Atg7. One way to investigate the importance of this upregulation is to measure the size and number of autophagosomes formed when insufficient amounts of that protein are available. Atg8 is known to affect autophagosome size, consistent with its role in phagophore expansion. Atg7 is upstream of Atg8, and might therefore be expected to affect only autophagosome size. We used electron microscopy to measure the size and number of autophagosomes formed with limiting amounts of Atg7 and found them to be both smaller and fewer than normal. This suggests that Atg7 may have an Atg8-independent role in autophagosome initiation in addition to its Atg8-dependent role in autophagosome expansion. We also present an improved simulation for estimating original autophagic body number based on the number of cross-sections observed in ultrathin sections.

60 APPLIED LIFE SCIENCES↗

Subtle penetrant size effects on separation of carbon molecular sieve membranes derived from $\mathrm{6FDA:BPDA}$-$\mathrm{DAM}$ polyimide

Economically scalable carbon molecular sieve (CMS) hollow fiber membranes rely upon a tunable bimodal pore morphology to separate gas pairs using angstrom-level size discrimination. Freshly formed CMS membranes experience self-retarding physical aging, reflected by permeance losses and selectivity gains that stabilize over short times compared to the lifetime of the membrane. Self-retarding morphology rearrangements are of special interest here due to tightening of the largest size range of ultramicropores, thereby causing aging for polyimide-derived CMS. We report effects of such aging for two A/B penetrant pairs, C 3 H 6 /C 3 H 8 and CO 2 /CH 4 . These two pairs not only have different average sizes, $\overline{d}_{A/B}$, but also different size differences,Δd A/B , between the members in each pair. We focus primarily on the C 3 H 6 /C 3 H 8 pair, which is the most difficult of the two pairs to separate, and use some CO 2 /CH 4 results as a comparison case. We study CMS derived from 6FDA:BPDA-DAM (1:1) polyimide by pyrolysis at 550 °C, 600 °C and 650 °C. Here we suggest conditions and physical causes that expedite, retard or even suppress the aging process within CMS membranes. Finally, we suggest how analysis of CMS derived from other precursors and other penetrant pairs can be generalized by understanding the results for the 6FDA:BPDA-DAM (1:1) polyimide derived CMS.

36 MATERIALS SCIENCE↗

A novel method for co-optimizing battery sizing and charging strategy of battery electric bus fleets: An application to the city of Paris

Battery-electric buses (BEBs) are a promising technology for replacing diesel buses and reducing their environmental burden. However, their charging process can take several hours, depending on the charging technique and strategy, making them susceptible to schedule disruptions. Furthermore, the selection of the charging strategy and battery size can increase the total capital investment and operational expenses of a BEB fleet, which is a major obstacle to its adoption. Therefore, to minimize the total cost of ownership (TCO) and prevent schedule disruptions, it is essential to establish a well-defined approach to determine an appropriate battery size and charging strategy for BEB fleets. This paper presents a method for reducing the TCO of BEB by determining the optimal battery size and charging strategy for each bus while satisfying operating constraints. The method involves a two-step optimization algorithm that uses Dynamic Programming and Genetic Algorithm. Further, the study applies this approach to the bus fleet serving line 21 in Paris and generates the optimal battery sizing, charging strategy, and required charging infrastructure. The results indicate that 100 kWh batteries offer the best trade-off between capital and operational expenditure for the fleet deployment if used with 65–85 kW chargers at bus terminals.

33 ADVANCED PROPULSION SYSTEMS↗

Size dependent infectivity of SARS-CoV-2 via respiratory droplets spread through central ventilation systems

In this work, we evaluate the transport of respiratory droplets that carry SARS-CoV-2 through central air handling systems in multiroom buildings. Respiratory droplet size modes arise from the bronchioles representing the lungs and lower respiratory tract, the larynx representing the upper respiratory tract including vocal cords, or the oral cavity. The size distribution of each mode remains largely conserved, although the magnitude of each droplet mode changes as infected individuals breathe, speak, sing, laugh, cough, and sneeze. Here we evaluate how each type of respiratory droplet transits through central ventilation systems and the implications thereof for infectivity of COVID-19. We find that while larger oral droplets can transmit through the air handling systems, their size and concentration are greatly reduced with but few oral droplets leaving the source room. In contrast, the smaller droplets that originate from the bronchioles and larynx are much more effective in transiting through the air handling system into connected rooms. This suggests that the ratio of lower respiratory or deep lung infections may increase relative to upper respiratory infections in rooms connected by central air handling systems. Also, increasing the temperature and humidity in the range considered after the droplets have achieved an “equilibrium” size reduces the probability of infection.

60 APPLIED LIFE SCIENCES↗

Effect of Field Size and Length of Plantar Spur on Treatment Outcome in Radiation Therapy of Plantar Fasciitis: The Bigger the Better?

Purpose: Radiation therapy is well established in the treatment of painful plantar fasciitis or heel spur. A retrospective analysis was conducted to investigate the effect of field definition on treatment outcome and to determine the impact of factors potentially involved. Methods and Materials: A review of treatment data of 250 patients (285 heels) with a mean follow-up time of 11 months showed that complete symptom remission occurred in 38%, partial remission in 32%, and no change in 19% (11% were lost to follow-up). Variables such as radiologic evidence of plantar spurs, their length, radiation dose, field size, age, sex, and onset of pain before administration of radiation therapy were investigated in univariate and multivariate regression analyses. Results: Treatment response depended upon age >53 years, length of heel spur ≤6.5 mm (or no radiologic evidence of a heel spur), and onset of pain <12 months before radiation therapy. Patients with these clinical prerequisites stood a 93% chance of clinical response. Without these prerequisites, only 49% showed any impact. No influence of field size on treatment outcome became evident. Conclusion: Patients with short plantar heel spurs benefit from radiation therapy equally well as patients without any radiologic evidence. Moreover, smaller field sizes have the same positive effect as commonly used large field definitions covering the entire calcaneal bone. This leads to a recommendation of a considerable reduction of field size in future clinical practice.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Correlation of optical properties with particle size, morphology, and polymorph of fine- and nano-particle formulations of titanium dioxide powders

Titanium dioxide (TiO 2 ) particulates are known to exhibit different visible and infrared optical properties compared to the bulk material, showing strong dependence on particle size, crystal structure, and morphology. In this study, the optical properties, sizes, and morphologies of TiO 2 particles from two different sources (nano and fine powders) having a) nominally different particle sizes and b) various crystal polymorph mixture fractions are compared using a combination of single particle mass spectrometry, optical spectroscopies, and aerosol characterization methods. The nano sample was found to be largely particles of the anatase polymorph (88% by mass), while the fine sample was found to consist largely of rutile particles (95% by mass). Two distinct particle morphologies (fractal and compact) were found in each powder sample and could be identified and separated in-situ based on particle aerodynamic properties. The attenuation of near-infrared, visible and ultraviolet light by TiO 2 particles shows strong dependence on particle morphology. Furthermore, while the fine particles were found to have larger near-infrared (675–800 nm) extinction coefficients by mass than the nanoparticles, the reverse was true in the ultraviolet and visible regions (370–675 nm). However, for polydisperse particles with different sizes and shapes, the optical behaviors are not straightforward to directly correlate to a combination of physical parameters.

Lockwood, Schuyler P. [Pacific Northwest National ↗

Plasma catalytic ammonia synthesis on Ni nanoparticles: The size effect

Herein we demonstrate the synthesis of ammonia via atmospheric DBD plasma discharge over nickel nanoparticles supported on silica. We evaluated the performance of nickel nanoparticles with average sizes of 5.6nm and 13.5 nm. The smallest nanoparticle size sample resulted in an ammonia synthesis rate at least 2 times higher than that of the larger nanoparticle size sample and nickel bulk at equimolar composition. This allowed us to observe experimentally, for the first time, the size effect in the area of plasma catalysis. Moreover, the presented results allowed us to investigate a hydrogen sink metal such as nickel under atmospheric plasma conditions and determine the gas composition that resulted beneficial for this surface chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗