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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

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↗
DOE OSTI2023

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↗
DOE OSTI2024

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↗
DOE OSTI2018

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↗
DOE OSTI2019

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↗
DOE OSTI2022

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↗
DOE OSTI2019

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↗
DOE OSTI2021

Modular horizontal pendulum wave energy converter: Exploring feasibility to power ocean observation applications in the U.S. pacific northwest

Abstract Marine renewable energy as a power source for ocean observation applications has the potential to allow longer deployment operations due to the consistent, higher, and denser energy available from this resource. This additionally could encourage deployments in remote locations where maintenance is costly or resource availability is low if dependent on solar power. More importantly, gaps in spatial data could be filled. This paper examines the feasibility of a modular horizontal pendulum wave energy converter to power National Data Buoy Center's Self‐Contained Ocean Observations Payload (SCOOP) off the coast of Washington State, U.S. The effect on power output was studied when the pendulum's radius arm, mass, and power take‐off damping were varied. Results using Matlab toolbox WEC‐Sim revealed positive correlation between radius arm length and mass to power output, where power maximised for optimal damping values. Seasonal trends in power were not significant, where a 20 kg pendulum mass was needed to meet the SCOOP base power requirement of 5 W throughout the year.

16 TIDAL AND WAVE POWER↗
DOE OSTI2023

Evaluating Connected and Automated Vehicles in Co-Simulation Environment of Traffic Microsimulation and Vehicle Dynamics

Connected and automated vehicles (CAVs) have the potential to improve many aspects of the current transportation systems such as safety, mobility, and energy efficiency. In order to evaluate the benefits and impacts of a CAV, the CAV control algorithm is typically implemented on vehicles simulated in a traffic microsimulation environment. However, traffic microsimulation usually lacks detailed vehicle and powertrain dynamics, making it challenging to fully understand how a CAV control algorithm will perform and respond on an actual vehicle. Whether the same benefits measured in the simulation will also be observed in real-world remains an open question. One potential approach to fill in this gap is to conduct a co-simulation of traffic microsimulation with detailed vehicle and powertrain dynamics models, often developed in MATLAB Simulink. However, current microsimulation tools such as VISSIM and SUMO do not have a ready-to-use interface for co-simulation with vehicle dynamics and Simulink. Also, even if such an interface exists, it will be tool-specific, making it challenging to shift from one tool to another or test CAV controls in different tools. There are needs for tool-agnostic co-simulation as different microsimulation tools have their pros and cons, and researchers often need to use different tools based on the purposes of the simulation, project needs, and applications. In this work, Flexible Interface for X-in-the-loop Simulation (FIXS) is developed that can support the co-simulation of microsimulation, CAV control algorithm, and vehicle dynamics model in Simulink. Enabled by the FIXS, the benefit and performance of a CAV control algorithm can be better understood with the consideration of vehicle responses and dynamics. The connection to VISSIM and SUMO is handled internally by the interface, and users can easily switch tools by changing a configuration file. The co-simulation capability is demonstrated for a VISSIM eco-approach and departure CAV scenario and a SUMO cooperative merging scenario for both a passenger CAV and a class 8 heavy-duty connected and automated trucks.

Shao, Yunli↗
DOE OSTI2010

Half Life of {sup 101}Mo and {sup 101}Tc beta{sup -}-decay

In this work, the half-life of the {sup 155}Sm beta{sup -} decay was determined using enriched {sup 154}Sm samples submitted to irradiation in the IEA-R1 reactor of IPEN; the activity of the samples were followed for 4-5 consecutive half lives using a 198 cm{sup 3} HPGe detector. The data was corrected using a non paralizable dead time correction and fitted to an exponential decay function using a non linear fitting procedure developed on the MatLab platform. The resulting value--T{sub 1/2} = 22.180(26) min--was compatible to the one found in the literature, with a lower uncertainty.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2010

A Software Tool for Processing the Displacement Time Series Extracted from Raw Radar Data

The application of high-resolution radar waveform and interferometric principles recently led to the development of a microwave interferometer, suitable to simultaneously measuring the (static or dynamic) deflection of several points on a large structure. From the technical standpoint, the sensor is a Stepped Frequency Continuous Wave (SF-CW), coherent radar, operating in the K{sub u} frequency band.In the paper, the main procedures adopted to extract the deflection time series from raw radar data and to assess the quality of data are addressed, and the MATLAB toolbox developed is described. Subsequently, other functions implemented in the software tool (e.g. evaluation of the spectral matrix of the deflection time-histories, identification of natural frequencies and operational mode shapes evaluation) are described and the application to data recorded on full-scale bridges is exemplified.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Anisotropy and crystal orientation of silicon--application to the modeling of a bent mirror

Matrix formula and MATLAB algorithm are proposed to calculate the stiffness coefficient matrix C, the Young's modulus, shear modulus and Poisson ratio for the silicon crystal in any orientation. Results for Si(110) and Si(311) are given as an example. The anisotropic material properties of the silicon have been used in the mirror width profile optimization for the nano-imaging end-station ID22NI at the ESRF. As the Si(110) is used as the substrate of this multilayer coated KB mirror, the silicon crystal axis [0 0 1] is proposed to orient to the mirror axis. This is the case to have low stress in the mirror and low bending forces from actuators.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Recent developments of the JET far-infrared interferometer-polarimeter diagnostic

The far-infrared diagnostic provides essential internal measurements of the plasma density and magnetic field topology (q-profile via Faraday rotation angle) in real-time. The diagnostic capabilities have recently been extended in a number of key areas. Fast interferometer data, with 10 {mu}s time resolution, and a new MATLAB code have allowed improved analysis of the evolution of density profiles during fast events such as vertical plasma displacements, edge localized mode, pellet fuelling, and disruptions. Using the polarimeter measurements in real-time, a new calibration procedure has been developed based on a propagation code using the Mueller matrix formalism. A further major upgrade of the system is presently underway: adding a second color laser to the vertical channels and implementing a new phase counter based on analog zero crossing and field-programmable gate array boards.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2010

Optical boundary reconstruction of tokamak plasmas for feedback control of plasma position and shape

A new diagnostic is developed to reconstruct the plasma boundary using visible wavelength images. Exploiting the plasma's edge localized and toroidally symmetric emission profile, a new coordinate transform is presented to reconstruct the plasma boundary from a poloidal view image. The plasma boundary reconstruction is implemented in MATLAB and applied to camera images of Mega-Ampere Spherical Tokamak discharges. The optically reconstructed plasma boundaries are compared to magnetic reconstructions from the offline reconstruction code EFIT, showing very good qualitative and quantitative agreement. Average errors are within 2 cm and correlation is high. In the current software implementation, plasma boundary reconstruction from a single image takes 3 ms. The applicability and system requirements of the new optical boundary reconstruction, called OFIT, for use in both feedback control of plasma position and shape and in offline reconstruction tools are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2010

Validation of a Custom-made Software for DQE Assessment in Mammography Digital Detectors

This works presents the validation of a custom-made software, designed and developed in Matlab, intended for routine evaluation of detective quantum efficiency DQE, according to algorithms described in the IEC 62220-1-2 standard. DQE, normalized noise power spectrum NNPS and pre-sampling modulation transfer function MTF were calculated from RAW images from a GE Senographe DS (FineView disabled) and a Siemens Novation system. Calculated MTF is in close agreement with results obtained with alternative codes: MTF lowbar tool (Maidment), ImageJ plug-in (Perez-Ponce) and MIQuaELa (Ayala). Overall agreement better than {approx_equal}90% was found in MTF; the largest differences were observed at frequencies close to the Nyquist limit. For the measurement of NNPS and DQE, agreement is similar to that obtained in the MTF. These results suggest that the developed software can be used with confidence for image quality assessment.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Design of and data reduction from compact Thomson parabola spectrometers

Thomson parabola spectrometers are used to characterize MeV ion beams produced in high intensity laser interactions. These spectrometers disperse multiple ion species according to their charge to mass ratio through the use of parallel electric and magnetic fields. Analytical solutions for ion deflection in electric and magnetic fields have been used to extract ion spectra with the assumption that fringing effects are negligible. Experimental space restrictions and dynamic range requirements necessitate designs that stress the analytical assumptions. Depending on design parameters, the error in the analytical assumption can be comparable to the energy resolution. Estimates are provided to approximate the error on the total ion deflection. A method for modeling ion trajectories including fringing effects is presented using software freely available or in common use. The magnetostatic fields are modeled in 3D, including material properties of nearby magnetic materials using RADIA. Electrostatic fields are modeled in 2D for a spectrometer implementing angled plates using the partial differential equation toolbox in MATLAB. Using these models to calculate the ion trajectory allows for analysis of a Thomson parabola spectrometer with an arbitrary field configuration.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗