Capping Layers Design Guidelines for Stable Perovskite Solar Cells via Machine Learning
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36 MATERIALS SCIENCE↗
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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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Designing slippery rough surfaces to enhance dropwise condensation of low surface tension fluid
Enhancing low surface tension liquid condensation is critical for achieving high energy efficiency and reducing the size of thermal energy systems. Extensive research has focused on promoting dropwise condensation of these liquids using state-of-the-art coatings on plain surfaces. However, maintaining dropwise condensation with low surface tension fluids is challenging due to rivulet formation, resulting in wetted tails that transition to filmwise condensation at elevated heat fluxes. Here, to address this issue, we uncover the role of surface structures and surface chemistry in the dropwise condensation of low surface tension ethanol on slippery rough surfaces (SRS). High-performance dropwise condensation has been achieved on slippery microchannels grafted with perfluoropolyether. The SRS uniquely facilitates rapid lateral droplet removal, enabling faster directional droplet shedding without rivulet formation. The resulting higher droplet removal frequency on SRS leads to heat transfer coefficients 100 % and 500 % higher than conventional dropwise and filmwise condensation on plain surfaces, respectively. Our findings uncover the pivotal role of rapid droplet removal through slippery microchannels in sustaining dropwise condensation of low surface tension liquids. This study introduces a new paradigm for promoting dropwise condensation using engineered SRS that incorporates surface structure and surface chemistry. The work will provide fundamental design guidelines to design efficient and compact condensers that use costly or flammable low global warming potential refrigerants in future refrigeration systems.
Dropwise condensation↗
Human-System Interface Design Review Guidelines
The U.S. Nuclear Regulatory Commission (NRC) staff reviews the human factors engineering (HFE) aspects of nuclear power plants in accordance with the Standard Review Plan (NUREG-0800, Standard Review Plan for the Review of Safety Analysis Reports for Nuclear Power Plants: LWR Edition). The Human Factors Engineering Program Review Model (NUREG-0711, Revision 3, issued November 2012) contains detailed design review procedures. As part of the review process, the interfaces between plant personnel and the plant's systems and components are evaluated for conformance with HFE guidelines. This document, Human-System Interface Design Review Guidelines (NUREG-0700, Revision 3), provides the guidelines necessary to perform this evaluation. The review guidelines address the physical and functional characteristics of human-system interfaces (HSIs). Because these guidelines only address the HFE aspects of design and not other related considerations, such as instrumentation and control and structural design, they are referred to as HFE guidelines. In addition to the review of actual HSIs, the NRC staff can use the NUREG-0700 guidelines to evaluate a design-specific HFE guidelines document or style guide. The HFE guidelines are organized into four basic parts, which are divided into sections. Part I contains guidelines for the basic HSI elements: information displays, user-interface interaction and management, and analog displays and controls. These elements are used as building blocks to develop HSI systems to serve specific functions. Part II contains the guidelines for reviewing the following HSI systems: alarm system, safety parameter display system, group-view display system, soft control system, computer-based procedure system, automation system, and communication system. Part III provides guidelines for the review of workstations and workplaces. Part IV provides guidelines for the review of HSI support (i.e., maintainability of digital systems and degraded HSI and instrumentation and control conditions).
42 ENGINEERING↗
Co-Design of Charge Transport Superhighways to Connect Catalytic Sites in Soft Photoelectrochemical Systems
Efficient photon-to-electron-to-molecule conversion requires multi-length scale control over charge transport pathways, where electronic charges are delivered to catalytic sites under high mass transport flux. A fundamental question is how can we co-design charge transport pathways to promote efficient charge transfer to/from catalytic sites in complex three-dimensional architectures? Soft conducting polymer systems offer exceptional promise to provide three-dimensional charge transport networks, where electrolyte (ion and solvent) can interdiffuse to promote long-lived charge carriers and the molecular nature allows for strategic synthetic design of catalytic sites. Herein we combine theoretical and experimental approaches to investigate the earliest stages of photoelectrochemical deposition of near-surface catalytic sites (Pt) on soft bulk heterojunction polymeric semiconductors composed of a prototype donor (PTB7-Th) and a prototype acceptor (N2200) as a model system towards better understanding molecular catalyst-polymer site interactions. We focus initially on photoelectrochemical deposition of low Pt loadings, nanoparticle sizes (formed by progressive nucleation) below 20 nm, for both density functional theory (DFT) modeling studies and for spectroscopic characterization using surface-sensitive X-ray and UV-photoemission (XPS/UPS). DFT modeling of “n-type” N2200 slabs reveal for the first time that sulfur atoms in the thiophene units serve as the lowest-energy adsorption sites for single Pt atoms, while larger Pt clusters engage more complexly with both thiophene and naphthalene diimide (NDI) core sites. Changes in chemical composition observed by X-ray photoelectron spectroscopy (XPS) support the DFT predictions, and the angle-resolved measurements reveal that Pt nucleation initiates at subsurface sites which appear to be localized active domains that promote charge transport/transfer and enable vertical growth toward the surface. These results suggest that light-activated Pt nanoparticle deposition decorates energetically distinct sites, where photoactivity is dictated by the local energetics of those sites, and the fact that they represent the termini of charge transport “super-highways” – a small percentage of the total volume of the donor/acceptor polymeric active layer which carries most of the photocurrent generated during both Pt deposition and photoelectrochemical HER. We posit that these initial studies provide a foundational strategy for design of catalytic sites in the near surface regions of complex polymeric materials and advancing soft semiconductor-based photoelectrochemical systems. Achieving a nanometer-scale understanding of catalyst deposition and the impact of local composition and energetics on that placement, should ultimately provide the design guidelines (co-design) for a broad array of catalysts at sites that optimize that efficiency and maximize platform durability.
14 SOLAR ENERGY↗
Relevant Additive Manufacturing Materials for Wind Industry
The purpose of this report is to equip wind industry professionals with the relevant material testing and properties of large format extrusion-based additive manufacturing processes. Discussion on the printability and processing of different classes of materials (i.e. low temperature, high temperature, thermoplastics, elastomeric, foam, etc.) is provided as well as relevant test standards and methods. Existing results for materials and properties are detailed. A companion document titled “Additive Manufacturing Design Guidelines for Wind Industry” covers the seven families of additive manufacturing, the relevance of each family to the wind industry, and design guidelines and considerations for the most relevant processes.
17 WIND ENERGY↗
Design & Brand Guidelines (V.1.03)
The goal is to revitalize the Lab’s identity so that it reflects a focused and forward-looking approach to solving national security challenges. This goal is achieved through design that is dynamic, accessible, and optimized for 21st century communications.
96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
Temperature-Dependent Configurational Entropy Calculations for Refractory High-Entropy Alloys
The cluster expansion formalism for alloys is used to construct surrogate models for three refractory high-entropy alloys (NbTiVZr, HfNbTaTiZr, and AlHfNbTaTiZr). These cluster expansion models are then used along with Monte Carlo methods and thermodynamic integration to calculate the configurational entropy of these refractory high-entropy alloys as a function of temperature. Many solid solution alloy design guidelines are based on the ideal entropy of mixing, which increases monotonically with N , the number of elements in the alloy. However, our results show that at low temperatures, the configurational entropy of these materials is largely independent of N , and the assumption described above only holds in the high-temperature limit. This suggests that alloy design guidelines based on the ideal entropy of mixing require further examination.
36 MATERIALS SCIENCE↗
Toward Rational Design of Supported Vanadia Catalysts of Lignin Conversion to Phenol
In sustainable chemical engineering, catalytic upgrading of lignocellulosic biomass has recently gained attention for producing renewable platform chemicals. To achieve maximal biomass utilization, upgrading the underutilized lignin components is essential. Among various catalysts for lignin upgrading, supported vanadia (V2O5) catalysts are promising because of their cost-effectiveness and tunability of either dopant metals or catalyst supports. Here, computational studies are conducted to derive rational design guidelines of supported V2O5 catalysts for accomplishing the high catalytic activity of lignin upgrading to phenol, a key compound for producing bioplastics and biofuel blendstocks. Guaiacol was used as the model compound since it comprises the highest portion of depolymerized lignin. Computational mechanistic studies for the catalytic guaiacol conversion to phenol were performed for the V2O5 catalysts on Titania (TiO2) and silica (SiO2) to explain higher experimental phenol yields on V2O5/SiO2 than V2O5/TiO2. The hydrogen migration from the methoxy group to the aryl ring was identified as a rate-determining step, and the overall activation energies on the two catalysts were compared. A structural analysis was carried out for the catalysts and rate-determining transition states to gain further insights from mechanistic studies. It was concluded that the tilt angle of the aryl group in the hydrogen migration transition state is a key descriptor determining the catalytic activity of phenol formation. These features correlate well with activation energies and experimental phenol yields, indicating that they provide design guidelines for supported metal catalysts for lignin upgrading before experiments.
BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗
MHD flow in liquid metal blankets: Major design issues, MHD guidelines and numerical analysis
The design of breeding blankets represents the major challenge for fusion reactor engineering because of performance requirements and severe operating conditions in terms of heat load and neutron flux. Liquid metal alloys such as lead-lithium, due to their lithium content, can be used to breed tritium, one of the plasma fuel components, and owing to their high thermal conductivity, they may serve as coolants. On the other hand, there are technical issues related to the fact that the liquid metals are electrically conducting and interact with the plasma-confining magnetic field. Induced electric currents and generated electromagnetic forces affect velocity and pressure distribution in the blankets. Magnetohydrodynamic (MHD) flows for fusion applications have been often investigated in simplified geometries, such as pipes, ducts, bends, with focus on their fundamental features. These analyses are essential, since results remain valid as background for the development of blanket designs, even when a concept is dismissed. However, the conceptual study of fusion blankets requires to take into account the global multiple effects, that arise when the full system is considered. Progress made in fusion-related MHD research results from combined numerical and experimental activities. In this paper we review and summarize features of 2D and 3D MHD flows that are typical in liquid metal blankets, together with available correlations for MHD pressure losses. This knowledge can provide simple design MHD guidelines that support a preliminary estimate of MHD effects in a blanket concept, in terms of pressure drop and flow distribution.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Theoretical and Experimental Advances in High-Pressure Behaviors of Nanoparticles
Using compressive mechanical forces, such as pressure, to induce crystallographic phase transitions and mesostructural changes while modulating material properties in nanoparticles (NPs) is a unique way to discover new phase behaviors, create novel nanostructures, and study emerging properties that are difficult to achieve under conventional conditions. In recent decades, NPs of a plethora of chemical compositions, sizes, shapes, surface ligands, and self-assembled mesostructures have been studied under pressure by in-situ scattering and/or spectroscopy techniques. As a result, the fundamental knowledge of pressure–structure–property relationships has been significantly improved, leading to a better understanding of the design guidelines for nanomaterial synthesis. In the present review, we discuss experimental progress in NP high-pressure research conducted primarily over roughly the past four years on semiconductor NPs, metal and metal oxide NPs, and perovskite NPs. We focus on the pressure-induced behaviors of NPs at both the atomic- and mesoscales, inorganic NP property changes upon compression, and the structural and property transitions of perovskite NPs under pressure. We further discuss in depth progress on molecular modeling, including simulations of ligand behavior, phase-change chalcogenides, layered transition metal dichalcogenides, boron nitride, and inorganic and hybrid organic–inorganic perovskites NPs. These models now provide both mechanistic explanations of experimental observations and predictive guidelines for future experimental design. Here, we conclude with a summary and our insights on future directions for exploration of nanomaterial phase transition, coupling, growth, and nanoelectronic and photonic properties.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Comparative Energetics of Various Membrane Distillation Configurations and Guidelines for Design and Operation
This paper presents a comparative performance study of single-stage desalination processes with major configurations of membrane distillation (MD) modules. MD modules covered in this study are (a) direct contact MD (DCMD), (b) vacuum MD (VMD), (c) sweeping gas MD (SGMD), and (d) air gap MD (AGMD). MD-based desalination processes are simulated with rigorous theoretical MD models supported by molecular thermodynamic property models for the accurate calculation of performance metrics. The performance metrics considered in MD systems are permeate flux and energy efficiency, i.e., gained output ratio (GOR). A general criterion is established to determine the critical length of these four MDs (at fixed width) for the feasible operation of desalination in a wide range of feed salinities. The length of DCMD and VMD is restricted by the feed salinity and permeate flux, respectively, while relatively large AGMD and SGMD are allowed. The sensitivity of GOR flux with respect to permeate conditions is investigated for different MD configurations. AGMD outperforms other configurations in terms of energy efficiency, while VMD reveals the highest permeate production. With larger MD modules, utilization of thermal energy supplied by the hot feed for evaporation is in the order of VMD > AGMD > SGMD > DCMD. Simulation results highlight that energy efficiency of the overall desalination process relies on the efficient recovery of spent for evaporation, suggesting potential improvement in energy efficiency for VMD-based desalination.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
A SIMPLE TOOL TO EVALUATE COLOR FOR LEGIBILITY AND DISTINGUISHABILITY WHEN DESIGNING DIGITAL DISPLAYS
Color is important in helping users effectively process information like text and symbols when performing tasks on digital displays. Interface designers in safety- and mission-critical industries often utilize human factors design guidelines and standards to make important design decisions like the use of color for legibility and distinguishability. However, such guidance sometimes requires additional interpretation and calculation to readily apply to the design question at hand. This work describes a simple tool that can be used to evaluate the adequacy of color choices from a palette for being legible or distinguishable. The tool eliminates having to manually convert colors to a readable format while providing a specific set of colors that are acceptable from select human factors standards. This paper provides an exemplary case study applied to a digital modification at a nuclear power plant to highlight how the tool may be used in safety and mission-critical industries.
99 GENERAL AND MISCELLANEOUS↗
The DG03: An Outline of Suggested Changes
The Design Guideline 03 (DG03) published by the National Renewable Energy Laboratory in 2009 is widely used in the wind industry. It allows engineers to get acquainted with design aspects and methodologies to determine pitch and yaw bearing static capacity and fatigue life. The combination of the detailed theoretical descriptions and practical examples makes it a highly application-oriented document. Since its publication, the knowledge about oscillating bearings, slewing bearings, and wind turbines has grown significantly. Some aspects of the DG03 need updates to reflect the current state of the art. This work covers proposed changes for an upcoming revision of DG03.
design guideline↗
Human Factors Considerations for Hydrogen Rail Refueling and Maintenance
The Federal Railroad Administration (FRA) contracted Sandia National Laboratories to review the risks introduced specifically through human interactions within hydrogen rail refueling and maintenance activities and present recommendations for future system development and implementation. Due to the lack of domestic hydrogen-powered trains at the time of review, observational data was collected on analogous existing systems to consider various ways hydrogen might be implemented within future designs. The team developed 50 human factors design guidelines through analysis of human risk factors. Because hydrogen rail systems are still in the early design stage, the resulting human factors guidelines represent general best practices and do not include specific design features. The research team recommends design and regulatory agencies include a Human Factors Engineer in the design and review process to ensure the guidelines are appropriately implemented and verified.
08 HYDROGEN↗
Facilitating Implementation of High-Volume Fly Ash Use in Pre-cast Concrete Construction to Increase Beneficial Utilization
The main goal of this project was to increase the beneficial use of fly ash as a supplementary cementitious material for precast concrete applications. A major focus was to develop balanced concrete mix design strategies which collectively satisfy the follow objectives: 1) increase fly ash beneficial use by at least 15% in the precast concrete industry, 2) maintain or exceed stringent structural property requirements (e.g., compressive strength at initial prestress, modulus of rupture, etc.), 3) exhibit little or no additional cost relative to conventional mixtures, and 4) mitigate detrimental environmental consequences inadvertently caused by increased beneficial use. Outcomes from this project include recommendations for design guidelines and code provisions for sustainable concrete mix designs, facilitating diversion and harvesting of large quantities of fly ash from landfills or impoundments, and multiple frameworks for incorporating discarded fly ash materials (i.e., landfilled or ponded fly ash after separating the impurities) in concrete construction.
01 COAL, LIGNITE, AND PEAT↗
LDM-151: Data Management Science Pipelines Design
The LSST Science Requirements Document (the LSST SRD) specifies a set of data product guidelines, designed to support science goals envisioned to be enabled by the LSST observing program. Following these guidelines, the details of these data products have been described in the LSST Data Products Definition Document (DPDD), and captured in a formal flow-down from the SRD via the LSST System Requirements (LSR), Observatory System Specifications (OSS), to the Data Management System Requirements (DMSR). The LSST Data Management subsystem's responsibilities include the design, implementation, deployment and execution of software pipelines necessary to generate these data products. This document describes the design of the scientific aspects of those pipelines.
79 ASTRONOMY AND ASTROPHYSICS↗
Advanced Energy Approaches for Mixed-Use Developments in the Front Range Urban Corridor
The primary objective of the document is to present example technical approaches and strategies that planners and developers can reference for all-electric mixed-use developments in the Rocky Mountain Front Range urban corridor that are considering advanced energy performance goals such as high levels of energy efficiency and renewable integration. The strategies are tailored toward the vision for a zero energy, all-electric, district thermal system-connected starter district. In this example, on-site solar generation is emphasized as a strategy that can be combined with electrical and thermal energy storage for enhanced community resilience and demand flexibility. Opportunities for utilizing or adapting these strategies include: sharing with vertical developers for potential integration of strategies into vertical design guidelines; incorporation into Owner Project Requirements (OPRs); providing example strategies to design teams as a starting point for design; informing structure of agenda for a building design charrette; comparing building designs to example strategies at various points in the design process to evaluate design progression. While the technical strategies outlined in this document can help inform the development of guidelines for projects in the Front Range urban corridor, this document does not set requirements for any rating, certification, program, or policy.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Performance of an Isobaric Hybrid Compressed Air Energy Storage System at Minimum Entropy Generation
Efficient, large-scale, and cost-effective energy storage systems provide a means of managing the inherent intermittency of renewable energy sources and drastically increasing their utilization. Compressed air energy storage (CAES) and its derivative architectures have received much attention as a viable solution; however, optimization objectives for these systems have not been thoroughly investigated in the literature. In this work, a hybrid thermal and compressed air energy storage (HT-CAES) system is investigated that mitigates the shortcomings of the otherwise attractive conventional CAES systems and its derivatives—shortcomings such as strict geological locations, low energy densities, and the production of greenhouse gas emissions. The HT-CAES system allows a portion of the available energy to operate a compressor and the remainder to be converted and stored in the form of heat through joule/resistive heating in a high-temperature, sensible, thermal energy storage medium. Internally reversible and irreversible HT-CAES system assumptions were investigated, in addition to regenerative and non-regenerative design configurations. Several system optimization criteria were examined—including maximum energy efficiency, maximum exergy efficiency, maximum work output, and minimum entropy generation—with a focus on whether the latter may lead to conclusive design guidelines in a real system. It is shown that an HT-CAES system designed based on a minimum entropy generation objective may operate at a lower energy and exergy efficiency as well as lower output power than otherwise achievable. Furthermore, optimization objective equivalence is shown to be limited to certain design conditions.
25 ENERGY STORAGE↗