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At least 253 records · Page 14

On the optimal sizing of power take-off systems for wave energy converters

The power take-off (PTO) system in a wave energy converter (WEC) is the means by which the energy in an ocean wave is converted into useful energy. There has been a general lack of technology convergence in the wave energy industry and PTO design has been largely device-specific with the design process determined by the WEC developer. An optimized PTO design can significantly affect the efficiency, reliability, performance, and overall cost and viability of a device. There remains a need in the marine energy industry for best practices and efficient design processes to be identified as it could greatly benefit developers and researchers in designing an optimal WEC PTO. This research utilizes the open-source Matlab-Simulink based software, WEC-Sim, which was developed by the National Renewable Energy Laboratory, and the Eagle, a high-performance computing system, to model and optimize two WECs of different archetypes and then investigates if any trends exist that can be exploited for greater efficiency in optimal PTO design. The results from this research indicate that there may be an optimal sizing for WEC PTOs for both power and PTO force rating and that substantial reductions can be made in the cost of a device without significant loss in the energy produced. Furthermore this optimal sizing may be independent of WEC type and deployment location. With an optimal, or near optimal, approach to WEC PTO sizing demonstrated, a methodology is proposed to address the challenge of nameplate ratings in the wave energy industry.

13 HYDRO ENERGY↗

Toward supplying food, energy, and water demand: Integrated solar desalination process synthesis with power and hydrogen coproduction

The increase in population coupled with rising per capita income and associated change in consumption habits will put unprecedented stress on food, energy and water (FEW) resources. Sustainable and reliable fresh water supply is central for life and also for all sectors that support our existence. Uncertainty on water security prompted interest in investigation of renewable energy driven desalination processes. One particularly promising option is to produce fresh water from the two most abundant resources on earth: solar energy and seawater. In this study, using Solar Electricity, Water, Food and Chemical (SEWFAC) process synthesis concept, we explore and identify synergistic integration alternatives of multi stage flash desalination, solar thermal power, and hydrogen production processes. The promising options have been analyzed by detailed process simulation and optimization using an integrated Aspen Plus and MATLAB modeling environment. The proposed process designs can meet the water and electricity demand with rather high conversion efficiencies. Furthermore, integration of solar hydrogen production and hydrogen-fired power plant can enable continuous production of fresh water and electricity in solar-rich water-poor regions. In addition to other metrics, we have evaluated the performance of the desalination process from power point of view with a new metric, Electricity Equivalent Water (EEW) to demonstrate the marginal energy penalty of desalination. Integration of thermal desalination processes with electricity and hydrogen production is a synergistic alliance and can play a pivotal role in approaching FEW nexus.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

2-D soil zymography: Accounting for the spatial variation of pH

Soil zymography is commonly used to quantify spatial distribution of hydrolytic enzyme activities on soil and plant root surfaces. It is recommended to adjust pH in zymography substrates and calibration solutions with respect to soil/root pH. However, pH values may vary greatly within a few mm of plant rhizosphere, potentially altering the distribution of pH in zymography membranes. Despite the fact that the effect of pH on the calibration of zymography membranes is generally known, its potential impact on zymography results is unaccounted for in processing zymography images and calculations of enzyme activity. In this study we assessed the effect of pH variations on the persistency of the methylumbelliferone (MUF) calibration. The studied pH values ranged from 4.5 to 7.5. The MUF calibration curves greatly deviated from that at a reference pH of 6.5, with a marked nonlinear increase of deviation with greater membrane brightness. We suggest that the problem can be partially alleviated by reducing the membrane incubation time. However, such deviations suggest the need for a more comprehensive resolution via mapping pH and using pH-specific calibrations to process zymography images. Here, we developed a MATLAB code to implement a pixel-based correction of enzyme activity for pH in processing time-lapse zymography images.

59 BASIC BIOLOGICAL SCIENCES↗

Enhanced ZIF-8-enabled colorimetric CO 2 sensing through dye-precursor synthesis

The accumulation of carbon dioxide (CO 2 ) within enclosed spaces, along with volatile organic compounds, under certain humidity, temperature, and ventilation conditions is associated with detrimental human health symptoms such as fatigue. Color-based chemical sensing is a promising approach to detect CO 2 levels relevant to indoor air quality through producing fast, quantifiable output visible to the naked eye. In a prior work, a colorimetric gas sensor was fabricated through synthesizing the metal-organic framework, ZIF-8, as the adsorbent, followed by post-synthetic mixing with a dye, phenol red (PSP), and primary amine, ethylenediamine (ED). While this sensor (termed PSP-ED/ZIF-8) maintained its structural integrity in atmospheric conditions and exhibited an increasing fuchsia-to-yellow color change with increasing CO 2 levels in dry environment, the colorimetric response greatly suffered in the presence of humid CO 2 . Here in this work, a significantly improved colorimetric CO 2 sensor (referred to as ED/PSP:ZIF-8) is accomplished through directly incorporating phenol red in the ZIF-8 metal and linker precursor solutions and then blending with ethylenediamine. MATLAB-generated color distributions and in-situ ultraviolet-visible (UV-Vis) spectroscopic studies quantitatively demonstrate an enhanced colorimetric gas response of ED/PSP:ZIF-8 compared to that of PSP-ED/ZIF-8 across an important range of CO 2 for indoor air quality monitoring (500 – 3500 ppm) and across a range of humidity. The new sensor also exhibits high selectivity to CO 2 compared to select volatile organic compounds, such as acetone and ethanol, which contribute to human health symptoms experienced indoors. The enhanced performance is attributed to the proposed incorporation of phenol red within ZIF-8, while maintaining the chemical stability of the MOF.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Recycling of silver from silicon solar cells by laser debonding

A laser-debonding approach to silver electrode recovery from solar cells is presented to address the critical need for efficient and eco-friendly recycling methods. The study explores the use of UV nanosecond and IR continuous-wave lasers to precisely debond silver electrodes from silicon wafers. By optimizing parameters like laser power, scan speed, and the number of passes, intact silver electrical contact lines were recovered from solar cells. Scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDS) analysis confirmed the successful separation of silver from silicon wafers. Furthermore, an increase in the number of laser passes led to the production of silver microparticles, as validated by morphology and compositional studies using EDS. The estimated silver is approximately 90 mg for the Si solar cells of 15.4 * 15.4 cm 2 used in the study. To achieve a large area recovery of silver, a MATLAB code incorporating detection algorithms and specific criteria to automate laser scanning by accurately identifying the location of silver electrodes was developed. This presented laser debonding method is not confined to silicon solar cells but can be extended to other solar cell types featuring metal electrodes, offering a versatile solution. By minimizing the use of hazardous chemicals and reducing operational costs, the developed process aligns with the imperative of environmentally responsible photovoltaic waste management.

14 SOLAR ENERGY↗

Process design tools and techno-economic analysis for capacitive deionization

Capacitive deionization (CDI) devices use cyclical electrosorption on porous electrode surfaces to achieve water desalination. Process modeling and design of CDI systems requires accurate treatment of the coupling among input electrical forcing, input flow rates, and system responses including salt removal dynamics, water recovery, energy storage, and dissipation. Techno-economic analyses of CDI further require a method to calculate and compare between a produced commodity (e.g. desalted water) versus capital and operational costs of the system. In this work, we demonstrate a new modeling and analysis tool for CDI developed as an installable Matlab program that allows direct numerical simulation of CDI dynamics and calculation of key performance and cost parameters. The program is provided for free and is used to run open-source Simulink models. The Simulink environment sends information to the program and allows for a drag and drop design space where users can connect CDI cells to relevant periphery blocks such as grid energy, battery, solar panel, waste disposal, and maintenance/labor cost streams. The program allows for simulation of arbitrary current forcing and arbitrary flow rate forcing of one or more CDI cells. We employ validated well-mixed reactor formulations together with a non-linear circuit model formulation that can accommodate a variety of electric double layer sub-models (e.g. for charge efficiency). The program includes a graphical user interface (GUI) to specify CDI plant parameters, specify operating conditions, run individual tests or parameter batch-mode simulations, and plot relevant results. The techno-economic models convert among dimensional streams of species (e.g. feed, desalted water, and brine), energy, and cost and enable a variety of economic estimates including levelized water costs.

42 ENGINEERING↗

Internal wave energy flux from density perturbations in nonlinear stratifications

Internal gravity wave energy contributes significantly to the energy budget of the oceans, affecting mixing and the thermohaline circulation. Hence it is important to determine the internal wave energy flux $\boldsymbol{J}=p\,\boldsymbol{v}$ , where $p$ is the pressure perturbation field and $\boldsymbol{v}$ is the velocity perturbation field. However, the pressure perturbation field is not directly accessible in laboratory or field observations. Previously, a Green’s function based method was developed to calculate the instantaneous energy flux field from a measured density perturbation field $\unicode[STIX]{x1D70C}(x,z,t)$ , given a constant buoyancy frequency $N$ . Here we present methods for computing the instantaneous energy flux $\boldsymbol{J}(x,z,t)$ for an internal wave field with vertically varying background $N(z)$ , as in the oceans where $N(z)$ typically decreases by two orders of magnitude from the pycnocline to the deep ocean. Analytic methods are presented for computing $\boldsymbol{J}(x,z,t)$ from a density perturbation field for $N(z)$ varying linearly with $z$ and for $N^{2}(z)$ varying as $\tanh (z)$ . To generalize this approach to arbitrary $N(z)$ , we present a computational method for obtaining $\boldsymbol{J}(x,z,t)$ . The results for $\boldsymbol{J}(x,z,t)$ for the different cases agree well with results from direct numerical simulations of the Navier–Stokes equations. Our computational method can be applied to any density perturbation data using the MATLAB graphical user interface ‘EnergyFlux’.

Mechanics↗

Automated Quantitative Analysis of Extended Irradiation Defects - Dislocations, Voids and Precipitates in Neutron Irradiated HT-9 Steel

Structural alloys that make up the core components of nuclear reactors are exposed to radiation that can substantially alter the microstructure and mechanical properties of the material. Irradiation can cause the formation of extended defects including dislocation line and loops, voids and various types of precipitates. To understand the irradiation effects, it is critical to characterize these defects individually and collectively to quantify how they evolve throughout irradiation stages. Transmission electron microscopy (TEM) is a standard tool for providing extensive size, number density and spatial distribution of extended irradiation defects, however, manual measurement of defect size and number density requires time-intensive effort to analyze enough defects that provide a statistically meaningful result and are prone to errors of subjectivity. In this work, we developed a set of MATLAB algorithms offering robust and automated identification and quantification of extended irradiation defects like dislocation lines, voids and precipitates commonly observed in neutron irradiated cladding alloys [1]. Using a neutron-irradiated HT-9 martensitic alloy irradiated at 412°C to 111.8 dpa, we demonstrate the capability of these algorithms for quantitative defect analysis. Figure 1 presents defect images of the HT-9 using an advanced diffraction contrast imaging scanning transmission electron microscopy (DCI STEM) that suppresses bend contours and provides better defect contrast compared to conventional TEM [2]. The first step of defect analysis is defect identification, a process that can be digitally achieved by contrast thresholding (for simple defect contrast) and by machine learning computer vision for defect semantic segmentation [3]. Here, labeled binary defect images (Figures 2a and 2c) were used. For dislocation density quantification, we employed an optimized circular-grid intersection method first introduced by Dr. John Steeds [4]. This method is shown in Figures 2a and 2b, where the number of intersections of dislocation lines with circular traces was measured. This produces an unbiased sampling of dislocation lines, regardless of their orientation. This process was optimized with automated digital intersection number and grid length registration. Interestingly, it was found that a relatively large number of circles in a set circular gird is was needed to produce an invariant result (Figure 2b), with a low systematic measurement error. This demonstrates the main advantage of computer-based defect analysis, in performing repetitive operations quickly with a reduced systematic error. For the quantitative analysis of voids and precipitates a challenge encountered with automated defect analysis is feature overlap, particularly when the density of voids/precipitates is high. To mitigate this problem, as shown in Figure 2d, we modified the popular circular Hough transformation and treated ‘circular shape’ as the particle descriptor for voids/precipitates, efficiently resolving the overlapping particles. In summary, this automated digital quantification together with machine learning enabled defect identification [3] opens new opportunities for standardizing the characterization workflow for quantitative analysis of extended irradiation defects.

Sainju, Rajat↗

A metabolic modeling platform for the computation of microbial ecosystems in time and space (COMETS)

Genome-scale stoichiometric modeling of metabolism has become a standard systems biology tool for modeling cellular physiology and growth. Extensions of this approach are emerging as a valuable avenue for predicting, understanding and designing microbial communities. Computation of microbial ecosystems in time and space (COMETS) extends dynamic flux balance analysis to generate simulations of multiple microbial species in molecularly complex and spatially structured environments. Here we describe how to best use and apply the most recent version of COMETS, which incorporates a more accurate biophysical model of microbial biomass expansion upon growth, evolutionary dynamics and extracellular enzyme activity modules. In addition to a command-line option, COMETS includes user-friendly Python and MATLAB interfaces compatible with the well-established COBRA models and methods, as well as comprehensive documentation and tutorials. Overall, this protocol provides a detailed guideline for installing, testing and applying COMETS to different scenarios, generating simulations that take from a few minutes to several days to run, with broad applicability to microbial communities across biomes and scales.

59 BASIC BIOLOGICAL SCIENCES↗

A NWB-based dataset and processing pipeline of human single-neuron activity during a declarative memory task

A challenge for data sharing in systems neuroscience is the multitude of different data formats used. Neurodata Without Borders: Neurophysiology 2.0 (NWB:N) has emerged as a standardized data format for the storage of cellular-level data together with meta-data, stimulus information, and behavior. A key next step to facilitate NWB:N adoption is to provide easy to use processing pipelines to import/export data from/to NWB:N. Here, we present a NWB-formatted dataset of 1863 single neurons recorded from the medial temporal lobes of 59 human subjects undergoing intracranial monitoring while they performed a recognition memory task. We provide code to analyze and export/import stimuli, behavior, and electrophysiological recordings to/from NWB in both MATLAB and Python. The data files are NWB:N compliant, which affords interoperability between programming languages and operating systems. This combined data and code release is a case study for how to utilize NWB:N for human single-neuron recordings and enables easy re-use of this hard-to-obtain data for both teaching and research on the mechanisms of human memory.

Science & Technology - Other Topics↗

GriddingMachine, a database and software for Earth system modeling at global and regional scales

Land and Earth system modeling is moving towards more explicit biophysical representations, requiring increasing variety of datasets for initialization and benchmarking. However, researchers often have difficulties in identifying and integrating non-standardized datasets from various sources. We aim towards a standardized database and one-stop distribution method of global datasets. Here, we present the GriddingMachine as (1) a database of global-scale datasets commonly used to parameterize or benchmark the models, from plant traits to vegetation indices and geophysical information and (2) a cross-platform open source software to download and request a subset of datasets with only a few lines of code. The GriddingMachine datasets can be accessed either manually through traditional HTTP, or automatically using modern programming languages including Julia, Matlab, Octave, Python, and R. The GriddingMachine collections can be used for any land and Earth modeling framework and ecological research at the regional and global scales, and the number of datasets will continue to grow to meet the increasing needs of research communities.

58 GEOSCIENCES↗

Perovskite- and Dye-Sensitized Solar-Cell Device Databases Auto-generated Using ChemDataExtractor

The number of scientific publications reporting cutting-edge third-generation photovoltaic devices is increasing rapidly, owing to the pressing need to develop renewable-energy technologies that address the climate-change crisis. Consequently, the field could benefit from a central repository where photovoltaic-performance metrics, such as the power-conversion efficiency (η) are recorded. We present two automatically generated databases that contain photovoltaic properties and device material data for dye-sensitized solar cells (DSCs) and perovskite solar cells (PSCs), totalling 660,881 data entries representing 57,678 photovoltaic devices. The databases were generated by applying the text-mining toolkit ChemDataExtractor on a corpus of 25,720 articles. A multi-faceted evaluation, incorporating manual and automatic methods, was applied to ensure that the data contained therein were of the highest quality, with precision metrics ranging from 73.1% to 95.8%. The DSC database contains 475,045 entries representing 41,680 devices, and the PSC database contains 185,836 entries representing 15,818 devices. The databases are available in MongoDB and JSON formats, which can be queried in Python, R, Java and MATLAB for data-driven photovoltaic materials discovery.

14 SOLAR ENERGY↗

Accurate real space iterative reconstruction (RESIRE) algorithm for tomography

Tomography has made a revolutionary impact on the physical, biological and medical sciences. The mathematical foundation of tomography is to reconstruct a three-dimensional (3D) object from a set of two-dimensional (2D) projections. As the number of projections that can be measured from a sample is usually limited by the tolerable radiation dose and/or the geometric constraint on the tilt range, a main challenge in tomography is to achieve the best possible 3D reconstruction from a limited number of projections with noise. Over the years, a number of tomographic reconstruction methods have been developed including direct inversion, real-space, and Fourier-based iterative algorithms. Here, we report the development of a real-space iterative reconstruction (RESIRE) algorithm for accurate tomographic reconstruction. RESIRE iterates between the update of a reconstructed 3D object and the measured projections using a forward and back projection step. The forward projection step is implemented by the Fourier slice theorem or the Radon transform, and the back projection step by a linear transformation. Our numerical and experimental results demonstrate that RESIRE performs more accurate 3D reconstructions than other existing tomographic algorithms, when there are a limited number of projections with noise. Furthermore, RESIRE can be used to reconstruct the 3D structure of extended objects as demonstrated by the determination of the 3D atomic structure of an amorphous Ta thin film. We expect that RESIRE can be widely employed in the tomography applications in different fields. Finally, to make the method accessible to the general user community, the MATLAB source code of RESIRE and all the simulated and experimental data are available at https://zenodo.org/record/7273314.

97 MATHEMATICS AND COMPUTING↗

Real space iterative reconstruction for vector tomography (RESIRE-V)

Tomography has had an important impact on the physical, biological, and medical sciences. To date, most tomographic applications have been focused on 3D scalar reconstructions. However, in some crucial applications, vector tomography is required to reconstruct 3D vector fields such as the electric and magnetic fields. Over the years, several vector tomography methods have been developed. Here, we present the mathematical foundation and algorithmic implementation of REal Space Iterative REconstruction for Vector tomography, termed RESIRE-V. RESIRE-V uses multiple tilt series of projections and iterates between the projections and a 3D reconstruction. Each iteration consists of a forward step using the Radon transform and a backward step using its transpose, then updates the object via gradient descent. Incorporating with a 3D support constraint, the algorithm iteratively minimizes an error metric, defined as the difference between the measured and calculated projections. The algorithm can also be used to refine the tilt angles and further improve the 3D reconstruction. To validate RESIRE-V, we first apply it to a simulated data set of the 3D magnetization vector field, consisting of two orthogonal tilt series, each with a missing wedge. Our quantitative analysis shows that the three components of the reconstructed magnetization vector field agree well with the ground-truth counterparts. We then use RESIRE-V to reconstruct the 3D magnetization vector field of a ferromagnetic meta-lattice consisting of three tilt series. Our 3D vector reconstruction reveals the existence of topological magnetic defects with positive and negative charges. We expect that RESIRE-V can be incorporated into different imaging modalities as a general vector tomography method. To make the algorithm accessible to a broad user community, we have made our RESIRE-V MATLAB source codes and the data freely available at https://github.com/minhpham0309/RESIRE-V.

47 OTHER INSTRUMENTATION↗

Auto-generated materials database of Curie and Néel temperatures via semi-supervised relationship extraction

article presents an auto-generated database of 39,822 records containing chemical compounds and their associated Curie and Néel magnetic phase transition temperatures. The database was produced using natural language processing and semi-supervised quaternary relationship extraction, applied to a corpus of 68,078 chemistry and physics articles. Evaluation of the database shows an estimated overall precision of 73%. Therein, records processed with the text-mining toolkit, ChemDataExtractor, were assisted by a modified Snowball algorithm, whose original binary relationship extraction capabilities were extended to quaternary relationship extraction. Consequently, its machine learning component can now train with ≤500 seeds, rather than the 4,000 originally used. Data processed with the modified Snowball algorithm affords 82% precision. Database records are available in MongoDB, CSV and JSON formats which can easily be read using Python, R, Java and MatLab. As a result, this makes the database easy to query for tackling big-data materials science initiatives and provides a basis for magnetic materials discovery.

36 MATERIALS SCIENCE↗

Model systems for screening and investigation of lithium metal electrode chemistry and dendrite formation

The use of lithium metal as an electrode for electrochemical energy storage will provide a significant impact on practical energy storage technology. Unfortunately, the use of lithium metal is plagued with challenging chemical problems. Specifically, the formation of a solid electrolyte interphase layer and the nucleation and growth of lithium dendrites: both must be addressed and controlled in order to achieve a practically useable pure lithium metal electrode. Currently sophisticated experimental techniques and computationally expensive simulations are being used to probe these problems but these methods are arduous and time consuming which delays timely evaluation and insight into the rapidly changing field of advanced energy storage. Here, we report the use of DFT simulations of lithium nanoclusters to investigate and explore lithium metal chemistry with inexpensive computational methods to gain greater insight into electrochemical reductions and the nucleation and growth of dendrites. DME, LiTFSI, and LiFSI reduction energetics and structures with electrode effects from lithium metal are reported providing better physical description of the absolute reduction potential characterization. The electronic structure of the lithium nanoclusters were used to investigate the nucleation and growth of lithium dendrites from an ab initio perspective. The results demonstrate that kinetic processes have more control over non uniform growth than thermodynamic processes. Based on this information, a non ab initio model was created in Matlab that shows the initial stages of dendrite nucleation considering approximately 2000 atoms.

25 ENERGY STORAGE↗

Kinetic modelling of an environmentally friendly carbamazepine synthesis via urea and iminostilbene in batch and continuous processes

Accurate kinetic models for reaction systems allow for improved process understanding and greater quality control, which is particularly beneficial as the pharmaceutical industry shifts from batch to continuous manufacturing (CM). In this work, a first principles kinetic model has been developed for the synthesis of carbamazepine (CBZ) from iminostilbene and urea, starting in a batch reactor and subsequently in a continuous flow reactor. An eco-friendly reaction pathway using urea was selected to avoid the toxic reagents that are typically used for synthesis of CBZ. The kinetic parameters determined from batch reactions were utilized in a MATLAB based kinetic model to simulate the yield for the continuous process. Overall, good agreement between the model prediction and corresponding experimental values was observed for the batch and continuous reaction systems within the full factorial design space. However, the model slightly overpredicted the yield of the continuous reaction system for higher conversion values (>60%) since it did not account for the reverse reaction that can occur at the studied reaction conditions. Here, the use of broken order kinetics was compared with whole number orders, and it was determined that the whole number orders resulted in better agreement at all conversion values for the continuous system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Chapter 6: Wind Turbine Control Design

In this chapter, the author introduced wind turbine control, discussing sensors and actuators, operating regions, and the operational controller loops. The author then described the different levels of models needed in the controller development process, emphasizing that the models needed for control design are a simplification of the detailed models used in control simulation testing. Scripts used in conjunction with MATLAB are used to synthesize the controller, and detailed models are used for controller simulations. We described the design of the basic operational controller based on simplified models, including the generator torque controller for optimizing energy capture, and the blade pitch controller for regulating turbine speed (or power). The author described how to account for the effects of turbine nonlinearities and actuator dynamics and saturation. We then gave an overview of modern state-space control design methods, which are useful when designing a controller to meet multiple control objectives. The author also described a variety of advanced multivariable control methods. The author gave an overview of the use of advanced sensors (such as lidar sensors for upwind wind-speed measurements) and actuators (outboard blade aerodynamic devices used in 'smart' blade technology). The use of individual blade pitch, although not considered an advanced actuator, was also described. The author concluded with some special control issues for offshore floating systems.

17 WIND ENERGY↗