Complementary interface formation toward high-efficiency all-back-contact perovskite solar cells
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SEARCH · Engineering Papers
Results for “contact model”
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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Adiabatic Cooling System Spreadsheet Model for sCO 2
The attached cost and performance spreadsheet model is for an adiabatic cooling system, one of four cooling system models developed for use in optimizing indirectly-heated supercritical CO 2 (sCO 2 ) power cycles. Running the model requires that the user has REFPROP version 9 or below installed, as well as the Microsoft Excel REFPROP Add-In. Upon opening, use Excel’s Edit Links feature to link to the user’s installed REFPROP.xla or REFPROP.xlam file. For the spreadsheet model compatible with REFPROP version 10 and above, contact Nathan Weiland at nathan.weiland@netl.doe.gov. Technical documentation for the model can be found here: https://www.netl.doe.gov/energy-analysis/details?id=3199.
30 DIRECT ENERGY CONVERSION↗
Direct Dry Cooling System Spreadsheet Model for sCO 2
The attached cost and performance spreadsheet model is for a direct dry cooling system, one of four cooling system models developed for use in optimizing indirectly-heated supercritical CO 2 (sCO 2 ) power cycles. Running the model requires that the user has REFPROP version 9 or below installed, as well as the Microsoft Excel REFPROP Add-In. Upon opening, use Excel’s Edit Links feature to link to the user’s installed REFPROP.xla or REFPROP.xlam file. For the spreadsheet model compatible with REFPROP version 10 and above, contact Nathan Weiland at nathan.weiland@netl.doe.gov. Technical documentation for the model can be found here: https://www.netl.doe.gov/energy-analysis/details?id=3199.
30 DIRECT ENERGY CONVERSION↗
Indirect Dry Cooling System Spreadsheet Model for sCO2
The attached cost and performance spreadsheet model is for an indirect dry cooling system, one of four cooling system models developed for use in optimizing indirectly-heated supercritical CO2 (sCO2) power cycles. Running the model requires that the user has REFPROP version 9 or below installed, as well as the Microsoft Excel REFPROP Add-In. Upon opening, use Excel’s Edit Links feature to link to the user’s installed REFPROP.xla or REFPROP.xlam file. For the spreadsheet model compatible with REFPROP version 10 and above, contact Nathan Weiland at nathan.weiland@netl.doe.gov. Technical documentation for the model can be found here: https://www.netl.doe.gov/energy-analysis/details?id=3199.
30 DIRECT ENERGY CONVERSION↗
Wet Cooling Tower Cooling System Spreadsheet Model for sCO2
The attached cost and performance spreadsheet model is for a wet cooling tower system, one of four cooling system models developed for use in optimizing indirectly-heated supercritical CO2 (sCO2) power cycles. Running the model requires that the user has REFPROP version 9 or below installed, as well as the Microsoft Excel REFPROP Add-In. Upon opening, use Excel’s Edit Links feature to link to the user’s installed REFPROP.xla or REFPROP.xlam file. For the spreadsheet model compatible with REFPROP version 10 and above, contact Nathan Weiland at nathan.weiland@netl.doe.gov. Technical documentation for the model can be found here: https://www.netl.doe.gov/energy-analysis/details?id=3199.
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Screen-Printed Contacts for Crystalline Silicon Solar Cells: An Overview
Over the years, the photovoltaic market, worldwide, has been witnessing a double-digit growth rate. The silicon solar cell manufacturing technology has evolved to utilize raw materials optimally to address this growth. One of the ways in which manufacturers are addressing the challenge is by increasing the cell size and making thinner wafers. With this change in parameters, understanding the metal contact formation in solar cells becomes paramount to improve their efficiency. Screen printing is a widely used method to form metal contacts on solar cells and is ideally suited for large-volume manufacturing. This paper presents a review of the (a) role of screen printing in various solar cell architectures and (b) existing models for current conduction and contact formation mechanisms. An alternate approach to current conduction and contact formation mechanism in silicon solar cells is proposed.
contacts↗
Distance‐based reconstruction of protein quaternary structures from inter‐chain contacts
Abstract Predicting the quaternary structure of protein complex is an important problem. Inter‐chain residue‐residue contact prediction can provide useful information to guide the ab initio reconstruction of quaternary structures. However, few methods have been developed to build quaternary structures from predicted inter‐chain contacts. Here, we develop the first method based on gradient descent optimization (GD) to build quaternary structures of protein dimers utilizing inter‐chain contacts as distance restraints. We evaluate GD on several datasets of homodimers and heterodimers using true/predicted contacts and monomer structures as input. GD consistently performs better than both simulated annealing and Markov Chain Monte Carlo simulation. Starting from an arbitrarily quaternary structure randomly initialized from the tertiary structures of protein chains and using true inter‐chain contacts as input, GD can reconstruct high‐quality structural models for homodimers and heterodimers with average TM‐score ranging from 0.92 to 0.99 and average interface root mean square distance from 0.72 Å to 1.64 Å. On a dataset of 115 homodimers, using predicted inter‐chain contacts as restraints, the average TM‐score of the structural models built by GD is 0.76. For 46% of the homodimers, high‐quality structural models with TM‐score ≥ 0.9 are reconstructed from predicted contacts. There is a strong correlation between the quality of the reconstructed models and the precision and recall of predicted contacts. Only a moderate precision or recall of inter‐chain contact prediction is needed to build good structural models for most homodimers. Moreover, GD improves the quality of quaternary structures predicted by AlphaFold2 on a Critical Assessment of Techniques for Protein Structure Prediction–Critical Assessments of Predictions of Interactions dataset.
59 BASIC BIOLOGICAL SCIENCES↗
Modeling and validation of heat and mass transfer in a direct contact packed bed crossflow humidifier
Not Available
Bihani, Raghav↗
An Experimental Setup for Mechanical Vibration Analysis Using VLC
This study explores the potential applications across various domains, including earthquake detection and warning systems, where the system’s sensitivity to ground vibrations can contribute to early seismic event detection. Additionally, the study paves the way of developing applications of VLC/T in mechanical vibration and stability analysis of engines and platforms, offering insights into structural integrity and performance optimization. These multifaceted applications underscore the adaptability and potential of VLC/T systems in diverse fields, heralding advancements in sensing, communication, and security technologies. To achieve this, in this study, Peak to Average Power Ratio (PAPR) is proposed to represent the impact of mechanical shocks and vibrations generated by several weights dropped onto the platform with which the receiver is fixed. Even though non-contact measurement methodology is preferred for various reasons, the proposed measurement campaign obtains the data in contact form; however, the system and signal model proposed in this study could easily be extended into non-contact form. Considering the fact that the proposed measurement campaign employs off-the-shelf products, it is cost-effective and very scalable.
Yilmaz, Ahmet Mucahit↗
Design, Optimization, and In-Depth Understanding of Front and Rear Junction Screen-Printed Double-Side Passivated Contacts Solar Cells
In this work, detailed numerical modeling is performed for front junction (FJ) and rear junction (RJ) n-type Si solar cells with screen-printed double-side poly-Si based tunnel oxide passivated contacts (TOPCon). Fundamental understanding of both structures is crucial to explore factors that limit the efficiency potential of the two designs. By investigating several key parameters such as front poly sheet resistance and thickness, bulk material properties, and carrier transport in our simulation model, we determine and explain why RJ cells outperform FJ cells. Our findings reveal that FJ suffers from present technological limitations of p-poly based passivated contacts, namely, i) large recombination observed in textured p-TOPCon emitter and ii) low solid solubility and hole mobility in boron-doped poly-Si resulting in very high sheet resistance of front p-poly layers which must be made thin to reduce absorption losses. In contrast, RJ desensitized the cell efficiency to front sheet resistance allowing application of ultra-thin front n-poly layers and is therefore ideally suited for double-side TOPCon cells. Lastly, we have developed a roadmap for efficiency projections of commercial-type screen-printed RJ and FJ topologies reaching ~24% and >22.5% efficiencies respectively, quantifying and explaining the impact of technological innovations on the performance of each design.
14 SOLAR ENERGY↗
Sierra/SolidMechanics 5.0 Goodyear Specific
Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional finite element analysis code for solids and structures subjected to extensive contact and large deformations, encompassing explicit and implicit dynamic as well as quasistatic loading regimes. This document supplements the primary Sierra/SM 5.0 User’s Guide, describing capabilities specific to Goodyear analysis use cases, including additional implicit solver options, material models, finite element formulations, and contact settings.
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Sierra/SolidMechanics 4.56 Goodyear User's Guide
Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional finite element analysis code for solids and structures subjected to extensive contact and large deformations, encompassing explicit and implicit dynamic as well as quasistatic loading regimes. This document supplements the primary Sierra/SM 4.56 User’s Guide, describing capabilities specific to Goodyear analysis use cases, including additional implicit solver options, material models, finite element formulations, and contact settings.
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Experimental and modeling study of 1/ f noise in multilayer MoS2 and MoSe2 field-effect transistors
In field-effect transistors (FETs) with two-dimensional (2D) transition metal dichalcogenide channels, the dependence of field-effect mobility on atomic layer thickness has been studied and interpreted in terms of interface scattering and interlayer coupling resistance (Rint). However, a model for 1/f noise, such as in MoS2 and in MoSe2 FETs, for various contact metals and layer number thicknesses has not been reported. In this work, we have experimentally studied current–voltage and 1/f noise on MoS2 and MoSe2 FETs with source and drain contacts of high and low work function metals to understand both the mobility and the noise behavior. We have developed a noise model incorporating layer number dependent Hooge parameters and Rint. The noise and mobility models utilize screening lengths for charge, mobility, and Hooge parameter to describe the variation of these quantities with a layer number. Using our single model topology with appropriate fitting parameters for each material and each contact metal, the model captures the experimentally observed layer thickness dependence of the Hooge parameter. Our noise analysis is fully comprehensive and, hence, could be applied to any 2D layered systems.
Kwon, Jiseok↗
Sierra/SolidMechanics 5.6 User's Manual
Sierra/SolidMechanics (Sierra/SM) is a three-dimensional solid mechanics code with a versatile element library, nonlinear material models, large deformation capabilities, and contact. It is built on the SIERRA Framework. SIERRA provides a data management framework in a parallel computing environment that allows the addition of capabilities in a modular fashion. Contact capabilities are parallel and scalable. This document provides information about the functionality in Sierra/SM and the command structure required to access this functionality in a user input file. This document is divided into chapters based primarily on functionality. For example, the command structure related to the use of various element types is grouped in one chapter; descriptions of material models are grouped in another chapter. Sierra/SM provides both explicit transient dynamics and implicit quasistatics and dynamics capabilities. Both the explicit and implicit modules are highly scalable in a parallel computing environment. In the past, the explicit and implicit capabilities were provided by two separate codes, known as Presto and Adagio, respectively. These capabilities have been consolidated into a single code. The executable is named Adagio, but it provides the full suite of solid mechanics capabilities, for both implicit and explicit. The Presto executable has been disabled as a consequence of this consolidation.
97 MATHEMATICS AND COMPUTING↗
Extracted Water Induces Concentration Fluctuations in Model Ternary Liquid–Liquid Extraction System
Organic phase aggregation and phase splitting are two important (and connected) phenomena in liquid–liquid extraction of metal ions. Previously, we demonstrated how structure in binary mixtures of extractant and diluent originates from concentration fluctuations associated with the so-called “third-phase formation” liquid–liquid phase instability. For more complex systems, we sought to understand how extracted aqueous components affect these concentration fluctuations. Here, in this study, we use small-angle X-ray scattering and molecular dynamics simulations to investigate organic phase structural changes upon contact with water in a model ternary system of water/alkane/extractant. Critical exponents were determined from scattering with temperature variation and were consistent with mean field values. Then, by controlling the water content in the organic phase through direct dissolution of fixed quantities at constant temperature, we relate the observed increase in the fluctuation length scale to changes to the spinodal temperature of the third-phase formation phase boundary. We find a roughly linear relationship between water concentration and the spinodal temperature and a similar slope in that relationship for different linear alkane diluents. This suggests that the mechanism by which water extraction impacts the organic phase structure is to enhance concentration fluctuations through the introduction of additional polar extractant-water complexes, which increases the spinodal temperature and thereby decreases the reduced temperature, i.e., the distance to the instability. This explanation for how solutes induce aggregation in liquid–liquid extraction organic phases may extend to more complex systems, explaining the large increases in correlation lengths reported under high acid and metal loading.
Bonnett, Brittany L. [Argonne National Laboratory ↗
Stratigraphic Identification with Airborne Electromagnetic Methods at the Hanford Site, Washington
Stratigraphic units can influence the fate and transport of subsurface contaminants within groundwater. Units having coarse-grained sediments act as preferential flow pathways, and therefore can accelerate the transport of contaminants to reach human and ecological receptors. At legacy waste sites, detailed knowledge of subsurface stratigraphy can be used for effective monitoring and remediation planning to help minimize risk to human health and the environment. Airborne electromagnetic (AEM) methods can non-invasively provide information on kilometer-scale or larger subsurface stratigraphic features and fill informational gaps in directly sampled data from sparsely located boreholes. In this paper, we present inversion results of a 412 line-km frequency-domain AEM survey to delineate subsurface stratigraphic features at the Hanford Site, located in southeastern Washington State. The inversion was performed using a massively parallel 3D electromagnetic modeling and inversion code, where the modeling is based on solving frequency-domain Maxwell’s equations using an unstructured-mesh finite-element method and the inversion employs a Gauss-Newton optimization scheme. The results are compared to an underlying geologic framework model (GFM), built by interpolating contact depths of stratigraphic units interpreted from site borehole datasets. In areas with good borehole coverage, the inversion results show a good match with the GFM to a depth of about 60 m. Outside of these areas, the inversion results exhibit inconsistencies from the assumptions made to create the GFM, demonstrating that the AEM survey results can be used to improve the understanding of the geological conceptual model.
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A Quantum Mechanical Study of Quartz (101) Interfacial Boundaries
Density functional theory (DFT) calculations were performed on periodic and molecular models to explore the energetics of bonding modes at quartz–quartz interfaces, common grain contacts in sandstones. Four interface types were modeled: H 2 O-mediated, silanol H-bond mediated, O–O peroxide bonds, and siloxane bonds. Each type of interface may exist in the subsurface of the Earth, depending upon water activity, temperature, and pressure, as interfacial structures are stable within DFT molecular dynamics simulations up to 473 K. The results predict interfacial energies SiOSi > SiOOSi > SiOH-6H 2 O > 2SiOH, as expected based on similar bond strengths in other systems. The proposed SiOOSi interface is not generally accounted for in chemomechanical models but could be important in sandstones at depth in the Earth. The implications for intergrain fracturing and H2 generation are discussed.
Hydrogen↗
A Bayesian Multi-fidelity Neural Network to Predict Nonlinear Frequency Backbone Curves
The use of structural mechanics models during the design process often leads to the development of models of varying fidelity. Often low-fidelity models are efficient to simulate but lack accuracy, while the high-fidelity counterparts are accurate with less efficiency. Here, this paper presents a multi-fidelity surrogate modeling approach that combines the accuracy of a high-fidelity finite element model with the efficiency of a low-fidelity model to train an even faster surrogate model that parameterizes the design space of interest. The objective of these models is to predict the nonlinear frequency backbone curves of the Tribomechadynamics Research Challenge benchmark structure which exhibits simultaneous nonlinearities from frictional contact and geometric nonlinearity. The surrogate model consists of an ensemble of neural networks that learn the mapping between low and high-fidelity data through nonlinear transformations. Bayesian neural networks are used to assess the surrogate model's uncertainty. Once trained, the multi-fidelity neural network is used to perform sensitivity analysis to assess the influence of the design parameters on the predicted backbone curves. Additionally, Bayesian calibration is performed to update the input parameter distributions to correlate the model parameters to the collection of experimentally measured backbone curves.
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