Search NASA⌕ Search

SEARCH · Search NASA

Results for “Boundary quality”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 199 records · Page 11

Vertically Aligned Single-Crystalline CoFe 2 O 4 Nanobrush Architectures with High Magnetization and Tailored Magnetic Anisotropy

Micrometer-tall vertically aligned single-crystalline CoFe 2 O 4 nanobrush architectures with extraordinarily large aspect ratio have been achieved by the precise control of a kinetic and thermodynamic non-equilibrium pulsed laser epitaxy process. Direct observations by scanning transmission electron microscopy reveal that the nanobrush crystal is mostly defect-free by nature, and epitaxially connected to the substrate through a continuous 2D interface layer. In contrast, periodic dislocations and lattice defects such as anti-phase boundaries and twin boundaries are frequently observed in the 2D interface layer, suggesting that interface misfit strain relaxation under a non-equilibrium growth condition plays a critical role in the self-assembly of such artificial architectures. Further, magnetic property measurements have found that the nanobrushes exhibit a saturation magnetization value of 6.16 μB/f.u., which is much higher than the bulk value. The discovery not only enables insights into an effective route for fabricating unconventional high-quality nanostructures, but also demonstrates a novel magnetic architecture with potential applications in nanomagnetic devices.

36 MATERIALS SCIENCE↗

INVESTIGATION OF TURBULENT JETS, SPRAYS, AND SUPERCRITICAL MIXING BY TIME RESOLVED RAINBOW SCHLIEREN DEFLECTOMETRY

As technological advancements have enabled higher efficiency compression ignition (CI) engines (diesel engines) by operating at higher pressures and temperatures, the mechanisms of fuel-air mixing are postulated to change. Thus, there is a greater need for experimental data to develop and verify new phenomena. However, the fast time scales and harsh environments associated with CI engines present many experimental difficulties and requires high quality non-intrusive diagnostics to obtain useful data. The diagnostics itself must be validated prior to its implementation in an engine environment. The purpose of this research is to advance rainbow schlieren deflectometry (RSD) to study turbulent fuel sprays including the effects of supercritical mixing in CI engine environments. This objective is met by developing and applying quantitative RSD, for the first time, to three separate aspects of fuel sprays: 1) turbulent mixing, 2) phase boundaries, and 3) non-ideal gas mixing. First, quantitative RSD is demonstrated for turbulent mixing in a canonical helium jet. Rayleigh scattering data in the literature is used to validate the concentration measurements obtained by RSD. The results also provide explanations for phenomena occurring in the helium jet and provide data not yet present in the literature. Second, RSD is applied to high pressure multi-phase fuel sprays and new methodologies are developed to distinguish the liquid region from the vapor region and to quantify the in-between region on a probabilistic basis. Isolating liquid and vapor regions generally requires two separate diagnostics, e.g., Mie scattering (liquid region) and Rayleigh scattering (vapor region). However, the results of this study demonstrate that RSD can be used as a single diagnostic to measure both liquid and vapor boundaries. Third, the optical-to-thermodynamic relations associated with refrac-tometry are investigated under non-ideal gas mixing conditions to develop a generalized relationship valid for both ideal or non-ideal gas mixing. The last part of this research develops the theoretical tools to understand and experimentally realize supercritical mixing at diesel conditions. Guided by the theoretical analysis, RSD is applied to compare supercritical versus transcritical mixing at CI conditions using a constant pressure test rig. It is found that while fully supercritical mixing ers benefits in diesel engines, i.e, faster mixing times (50% higher velocities), the absence of droplets which cause high levels of particulate emissions, etc., it would be difficult to achieve in practice because of the requirements of fuels with low critical temperature and/or substantial fuel preheating.

02 PETROLEUM↗

Atmospheric Carbon and Transport – America (ACT-America) Data Sets: Description, Management, and Delivery

The ACT-America project is a NASA Earth Venture Suborbital-2 mission designed to study the transport and fluxes of greenhouse gases. The open and freely available ACT-America data sets provide airborne in situ measurements of atmospheric carbon dioxide, methane, trace gases, aerosols, clouds, and meteorological properties, airborne remote sensing measurements of aerosol backscatter, atmospheric boundary layer height and columnar content of atmospheric carbon dioxide, tower-based measurements, and modeled atmospheric mole fractions and regional carbon fluxes of greenhouse gases over the Central and Eastern United States. In this study, we conducted 121 research flights during five campaigns in four seasons during 2016–2019 over three regions of the US (Mid-Atlantic, Midwest and South) using two NASA research aircraft (B-200 and C-130). We performed three flight patterns (fair weather, frontal crossings, and OCO-2 underflights) and collected more than 1,140 h of airborne measurements via level-leg flights in the atmospheric boundary layer, lower, and upper free troposphere and vertical profiles spanning these altitudes. We also merged various airborne in situ measurements onto a common standard sampling interval, which brings coherence to the data, creates geolocated data products, and makes it much easier for the users to perform holistic analysis of the ACT-America data products. Here, we report on detailed information of data sets collected, the workflow for data sets including storage and processing of the quality controlled and quality assured harmonized observations, and their archival and formatting for users. Finally, we provide some important information on the dissemination of data products including metadata and highlights of applications of ACT-America data sets.

54 ENVIRONMENTAL SCIENCES↗

FAST-1.0 Software Release Document

The purpose of this document is to detail the release of FAST-1.0 and the documents that accompany the development and testing of FAST-1.0. Design requirements were for FAST-1.0 developed in the NRC Statement of Work (SOW) for NRC Agreement Number NRC-HQ-25-14-D-001 and are transcribed to this document as part of the Software Quality Assurance Plan for the FAST Code System, PNNL-28767. FAST 1.0 represents the merger of the FRAPCON and FRAPTRAN codes and as such FAST-1.0 performs steady state and transient fuel performance calculations described below. FAST-1.0 calculates the steady state response of light-water reactor fuel rods during long-term burnup. The code calculates temperature, pressure, and deformation of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include: 1) heat conduction through fuel and cladding to the coolant; 2) cladding elastic and plastic deformation; 3) fuel-cladding mechanical interaction; 4) fission gas release from the fuel and rod internal pressure; and 5) cladding oxidation. FAST is used to perform independent calculations for regulatory evaluations of fuel performance under normal operation and anticipated operational occurrences (AOOs).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

FAST-1.0 Software Acceptance Testing Report

The purpose of this document is to detail the software testing of FAST-1.0 through unit, integration, and assessment tests. More than 400 tests were designed to provide coverage of the requirements for FAST-1.0. These requirements were developed in the NRC Statement of Work (SOW) for NRC Agreement Number NRC-HQ-25-14-D-001 and are transcribed to this document as part of the Software Quality Assurance Plan for the FAST Code System, PNNL-28767. FAST 1.0 represents the merger of the FRAPCON and FRAPTRAN codes and as such FAST-1.0 performs steady state and transient fuel performance calculations described below. FAST-1.0 calculates the steady state response of light-water reactor fuel rods during long-term burnup. The code calculates temperature, pressure, and deformation of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include: 1) heat conduction through fuel and cladding to the coolant; 2) cladding elastic and plastic deformation; 3) fuel-cladding mechanical interaction; 4) fission gas release from the fuel and rod internal pressure; and 5) cladding oxidation. FAST is used to perform independent calculations for regulatory evaluations of fuel performance under normal operation and anticipated operational occurrences (AOOs). FAST calculates the temperature and deformation history of a fuel rod as a function of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by FAST include: 1) heat conduction; 2) heat transfer from cladding to coolant; 3) elastic-plastic fuel and cladding deformation; 4) cladding oxidation; 5) fission gas release; and 6) fuel rod gas pressure. FAST code assessment, development and maintenance drive a significant portion of the NRC fuel research activities and the tools are used in a substantial number of regulatory products. Given the centrality of the FAST code to the effectiveness of fuel research, it is critical to assess, develop and maintain this tool.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Developing an Energy Service Interface Specification

Developing an Energy Service Interface (ESI) specification requires engaging a community of stakeholders including grid operators, Information and Communication Technology implementors, integrators, and finally standards bodies who will define an interface that respects and boundaries of ownership and roles of responsibility in order to activate millions of Distributed Energy Resource for the provision of grid services. By applying Interoperability Maturity Model Criteria and ESI principles to common grid-DER service use cases, the Grid Modernization Lab Consortium team will engage subject matter experts to develop a specification, with an eventual goal of informing development of ESI compliant profiles or standards. The ESI Specification is intended to specify the characteristics, attributes, or qualities that need to be addressed in ESI compliant standards or profiles. This includes addressing interoperability criteria and the service-performance style of the interface.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

QES-Plume v1.0: a Lagrangian dispersion model

Low-cost simulations providing accurate predictions of transport of airborne material in urban areas, vegetative canopies, and complex terrain are demanding because of the small-scale heterogeneity of the features influencing the mean flow and turbulence fields. Common models used to predict turbulent transport of passive scalars are based on the Lagrangian stochastic dispersion model. The Quick Environmental Simulation (QES) tool is a low-computational-cost framework developed to provide high-resolution wind and concentration fields in a variety of complex atmospheric-boundary-layer environments. Part of the framework, QES-Plume, is a Lagrangian dispersion code that uses a time-implicit integration scheme to solve the generalized Langevin equations which require mean flow and turbulence fields. Here, QES-Plume is driven by QES-Winds, a 3D fast-response model that computes mass-consistent wind fields around buildings, vegetation, and hills using empirical parameterizations, and QES-Turb, a local-mixing-length turbulence model. In this paper, the particle dispersion model is presented and validated against analytical solutions to examine QES-Plume’s performance under idealized conditions. In particular, QES-Plume is evaluated against a classical Gaussian plume model for an elevated continuous point-source release in uniform flow, the Lagrangian scaling of dispersion in isotropic turbulence, and a non-Gaussian plume model for an elevated continuous point-source release in a power-law boundary-layer flow. In these cases, QES-Plume yields a maximum relative error below 6 % when compared with analytical solutions. In addition, the model is tested against wind-tunnel data for a uniform array of cubical buildings. QES-Plume exhibits good agreement with the experiment with 99 % of matched zeros and 59 % of the predicted concentrations falling within a factor of 2 of the experimental concentrations. Furthermore, results also emphasize the importance of using high-quality turbulence models for particle dispersion in complex environments. Finally, QES-Plume demonstrates excellent computational performance.

58 GEOSCIENCES↗

Methodology to determine the coupling of continental clouds with surface and boundary layer height under cloudy conditions from lidar and meteorological data

Abstract. The states of coupling between clouds and surface or boundary layer have been investigated much more extensively for marine stratocumulus clouds than for continental low clouds, partly due to more complex thermodynamic structures over land. A manifestation is a lack of robust remote sensing methods to identify coupled and decoupled clouds over land. Following the idea for determining cloud coupling over the ocean, we have generalized the concept of coupling and decoupling to low clouds over land, based on potential temperature profiles. Furthermore, by using ample measurements from lidar and a suite of surface meteorological instruments at the U.S. Department of Energy's Atmospheric Radiation Measurement Program's Southern Great Plains site from 1998 to 2019, we have developed a method to simultaneously retrieve the planetary boundary layer (PBL) height (PBLH) and coupled states under cloudy conditions during the daytime. The new lidar-based method relies on the PBLH, the lifted condensation level, and the cloud base to diagnose the cloud coupling. The coupled states derived from this method are highly consistent with those derived from radiosondes. Retrieving the PBLH under cloudy conditions, which has been a persistent problem in lidar remote sensing, is resolved in this study. Our method can lead to high-quality retrievals of the PBLH under cloudy conditions and the determination of cloud coupling states. With the new method, we find that coupled clouds are sensitive to changes in the PBL with a strong diurnal cycle, whereas decoupled clouds and the PBL are weakly related. Since coupled and decoupled clouds have distinct features, our new method offers an advanced tool to separately investigate them in climate systems.

54 ENVIRONMENTAL SCIENCES↗

The effect of current and lambda on white-etch-crack failures

White etching cracks (WECs) have been associated with premature failure of wind turbine roller bearings. Various drivers for the generation of WECs have been identified such as loading conditions, slip, steel quality, lubrication, hydrogen embrittlement, corrosion fatigue cracking, and stray electrical currents passing through the surface. Here, in this work, a benchtop test rig utilizing a three-ring-on-roller test configuration was used to investigate the effect of electrical current and operation in different lubricating regimes, defined by lambda (λ), on high-quality bearing steel samples tested in a commercially available power transmission EP gear lubricant. It was observed that there is an inverse correlation between the magnitude of electric current applied to the ring/ roller system and time-to-failure. Higher current magnitudes lead to shorter time-to-failure than lower current magnitudes, with macropitting as the main failure mode. Sub-surface investigation revealed the presence of WECs in all cases. For the same current magnitude, tests conducted in boundary and mixed lubrication regimes showed that time-to-failure increased as lambda increased, and the tests resulted in WEC related macropits, whereas tests conducted in near-hydrodynamic regime resulted in surface damage with no macropit. It was also noted that a shift toward near-hydrodynamic lubrication resulted in a distinct surface distress on the roller surface. Furthermore, there seems to be a transition in the mixed regime during which the surface distress occurred. The damage on the surface of the test samples resembled non-spatially, periodic, groove-like corrugations and, in some cases, crater-like depressions. Sub-surface imaging, performed by sequential sectioning, revealed the presence of WECs in all cases, and broad, branching cracks that were more prevalent under the more severe boundary conditions.

17 WIND ENERGY↗

Growth and Properties of Vapor Diffused Nb3Sn Coating for Superconducting Radiofrequency Accelerator Cavity Applications

The desire to reduce construction and operating costs of future SRF accelerators motivates the search for higher-performing alternative materials. Nb3Sn (Tc ~ 18.3 K and Hsh ~ 425 mT) is the front runner. The tin vapor diffusion process is currently the technique of choice to produce promising Nb3Sn-coated cavities. Understanding Nb3Sn nucleation and growth in this process is essential to progress. Samples representing different stages of Nb3Sn formation have been produced and studied to elucidate the effects of nucleation, growth, process conditions, and impurities. Nb3Sn films with thickness from a few hundred nm up to ~15 µm were grown and characterized. The microscopic examination of samples suggests the mechanisms of thin film nucleation and growth. Broadly, nucleation deposits tin as a thin surface phase and, under some conditions, a few hundred nanometer sized particles as well. Conditions that impair nucleation promote the formation of defects, such as ?patches?, in subsequent coating growth. Analysis of coated samples is consistent with the model of Nb3Sn grown in which tin diffuses via grain boundaries to Nb3Sn-Nb interface, where the growth Nb3Sn into the niobium bulk takes place. Similar scaling laws are found for grain growth and layer thickness. Non-parabolic layer growth is consistent with significant grain growth, which reduces the number of Sn-transport channels. Examination of patchy region in Nb3Sn coating revealed it to be large single crystalline grains, pointing to impeded Nb3Sn layer growth due to low grain boundary density, resulting in a significantly thin coating in those areas. Examination of RF loss regions from a coated cavity, identified with a thermometry mapping system showed patchy regions and carbonus defects were associated with strong local field-dependent surface resistance. RF measurements of coated cavities were combined with material characterization of witness samples and coated-cavity cutouts to improve the coating process. Understanding obtained and applied to cavity coatings, resulted in single-cell Nb3Sn cavities with a quality factor of ~2 ×1010 up to 15 MV/m accelerating gradient at 4 K, without "Wuppertal" Q-slope. We have also produced Nb3Sn-coated CEBAF 5-cell cavities with accelerating gradients useful for accelerator cryomodules. This dissertation will discuss the genesis of the Nb3Sn coating in a typical tin vapor diffusion process, effects of different process parameters, and its consequences to the coating of single-cell and multi-cell SRF cavities.

Pudasaini, Uttar↗

Deconstructing proton transport through atomically thin monolayer CVD graphene membranes

Selective proton (H + ) permeation through the atomically thin lattice of graphene and other 2D materials offers new opportunities for energy conversion/storage and novel separations. Practical applications necessitate scalable synthesis via approaches such as chemical vapor deposition (CVD) that inevitably introduce sub-nanometer defects, grain boundaries and wrinkles, and understanding their influence on H + transport and selectivity for large-area membranes is imperative but remains elusive. Using electrically driven transport of H + and potassium ions (K + ) we probe the influence of intrinsic sub-nanometer defects in monolayer CVD graphene across length-scales for the first time. At the micron scale, the areal H + conductance of CVD graphene (~4.5-6 mS cm -2 ) is comparable to that of mechanically exfoliated graphene indicating similarly high crystalline quality within a domain, albeit with K + transport (~1.7 mS cm -2 ). However, centimeter-scale Nafion|graphene|Nafion devices with several graphene domains show areal H + conductance of ~339 mS cm -2 and K + conductance of ~23.8 mS cm -2 (graphene conductance for H + is ~1735 mS cm -2 and for K + it is ~47.6 mS cm -2 ). Using a mathematical-transport-model and Nafion filled polycarbonate track etched supports, we systematically deconstruct the observed orders of magnitude increase in H + conductance for centimeter-scale CVD graphene. The mitigation of defects (>1.6 nm), wrinkles and tears via interfacial polymerization results in a conductance of ~1848 mS cm -2 for H + and ~75.3 mS cm -2 for K + (H + /K + selectivity of ~24.5) via intrinsic sub-nanometer proton selective defects in CVD graphene. We demonstrate atomically thin membranes with significantly higher ionic selectivity than state-of-the-art proton exchange membranes while maintaining comparable H + conductance. Our work provides a new framework to assess H + conductance and selectivity of large-area 2D membranes and highlights the role of intrinsic sub-nanometer proton selective defects for practical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

In-Situ Monitoring Assisted Large-Scale Additive Manufacturing of Mild Steel and 316L Alloys for Nuclear Application

The Advanced Materials and Manufacturing Technologies (AMMT) Program is aimed at developing cross-cutting technologies in support of a broad range of nuclear reactor parts, and to maintain U.S. leadership in materials and manufacturing technologies for nuclear energy applications. The overarching vision of the AMMT program is to accelerate the development, qualification, demonstration and deployment of advanced materials and manufacturing technologies to enable reliable and economical nuclear energy. One of its three goals is to target big challenges and game-changing technologies, to realize the mission and vision of AMMT program. Based on this context, this multi-year work package focuses on understanding the current state of large-scale additive manufacturing (AM) technology for the deposition of 316L stainless steel materials for final components and mild steel for use in nuclear manufacturing processes. The targeted AM modality is directed energy deposition (DED), capable of fabricating components on the size scale of meters including valves, pumps, impellers. etc. that are challenging or difficult to source, especially when developing new systems or replacing obsolete components. Accordingly, the current writeup aims at providing a baseline literature survey on structure-property relationships in mild steel and 316L alloys. Also, information on preliminary trials to date involving these two alloys show tremendous potential of printing parts having complex geometry and thin- walled structures, such as nuclear valve and Hot isostatic Press (HIP) can, using wire based (Wire Arc Additive Manufacturing and Hybrid Additive Manufacturing) as well as blown powder DED machines. All of this is aimed towards (i) demonstrating the ability to fabricate large components for pressure boundary applications relevant to the nuclear community and nuclear manufacturing technology, and (ii) understanding the effect of different manufacturing technology on AM can production and post HIPed material for nuclear applications. Another target of this writeup is to compile various in-situ monitoring tools that have been incorporated for different DED AM modalities, in order to understand process variability during the entire fabrication process. This can be correlated with processing-structure-property response surfaces and would add confidence around process quality verification and ultimately component certification for nuclear applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Development of a hardware-in-the-loop testbed for laboratory performance verification of flexible building equipment in typical commercial buildings

The goals of reducing energy costs, shifting electricity peaks, increasing the use of renewable energy, and enhancing the stability of the electric grid can be met in part by fully exploiting the energy flexibility potential of buildings and building equipment. The development of strategies that exploit these flexibilities could be facilitated by publicly available high-resolution datasets illustrating how control of HVAC systems in commercial buildings can be used in different climate zones to shape the energy use profile of a building for grid needs. This article presents the development and integration of a Hardware-In-the-Loop Flexible load Testbed (HILFT) that integrates physical HVAC systems with a simulated building model and simulated occupants with the goal of generating datasets to verify load flexibility of typical commercial buildings. Compared to simulation-only experiments, the hardware-in-the-loop approach captures the dynamics of the physical systems while also allowing efficient testing of various boundary conditions. The HILFT integration in this article is achieved through the co-simulation among various software environments including LabVIEW, MATLAB, and EnergyPlus. Although theoretically viable, such integration has encountered many real-world challenges, such as: 1) how to design the overall data infrastructure to ensure effective, robust, and efficient integration; 2) how to avoid closed-loop hunting between simulated and emulated variables; 3) how to quantify system response times and minimize system delays; and 4) how to assess the overall integration quality. Lessons-learned using the examples of an AHU-VAV system, an air-source heat pump system, and a water-source heat pump system are presented.

Chen, zhelun↗

New insights into the mechanism of ultrasonic atomization for the production of metal powders in additive manufacturing

Ultrasonic atomization is one of the promising technologies for producing metal powders for additive manufacturing, where precise control of particle size and morphology is essential. In this study, we coupled an ultrasonic transducer with a carbon fiber plate and atomized liquid droplets and films under different vibration amplitudes. Water, glycerol, and pure aluminum melt were used to study the atomization mechanism and the resulting droplet/powder characteristics, respectively. High-speed optical and ultrafast synchrotron X-ray imaging were used to study in situ the ultrasonic atomization dynamics, including pulsation and clustering of cavities inside the liquid layer/films, development of capillary waves, and formation of liquid droplets. For the first time, we observed and captured the occurrence of cavitation during the atomization of resting drops, films and impact droplets. The inertial cavitation events interfered with the capillary waves across the interphase boundary, puncturing and breaking the boundary to produce atomized mist. The in situ observation revealed the intricate dynamics of ultrasonic atomization and underscored the pivotal role of cavitation events throughout the entire atomization process. We also conducted experiments on ultrasonic atomization of liquid aluminum, producing particles of perfectly spherical shape. The particle size tended to decrease with reduced vibration amplitude Our work has demonstrated the important processing strategies on how to tailor the particle size while ensuring consistent particle shape and morphology, which is the key processing capability for producing high quality powders for additive manufacturing applications.

36 MATERIALS SCIENCE↗

Task 12 Sustainability - Methodological Guidelines on Net Energy Analysis of Photovoltaic Electricity (2nd Edition)

Net Energy Analysis (NEA) is a structured, comprehensive method of quantifying the extent to which a given energy source is able to provide a net energy gain (i.e., an energy surplus) to the end user, after accounting for all the energy losses occurring along the chain of processes that are required to exploit it (i.e., for its extraction, processing and transformation into a usable energy carrier, and delivery to the end user), as well as for all the additional energy 'investments' that are required in order to carry out the same chain of processes. However, this general framework leaves the individual practitioner with a range of choices that can affect the results and thus, the conclusions of a NEA study. The current IEA PVPS guidelines were developed to provide guidance on assuring consistency, balance, and quality to enhance the credibility and reliability of the results from photovoltaic (PV) NEAs. The guidelines represent a consensus among the authors - PV NEA experts in North America and Europe - for assumptions made on PV performance, process inputs and outputs, methods of analysis, and reporting of the results. Guidance is given on photovoltaic-specific parameters used as inputs in NEA and on choices and assumptions in inventory data analysis and on implementation of modelling approaches. A consistent approach towards system modelling, the functional unit, the system boundaries and allocation aspects enhance the credibility of PV electricity NEA studies and enables balanced NEA-based comparisons. Specifically, "apples-to-oranges" comparisons of different energy carriers (e.g., fuels vs. electricity) are not methodologically sound and are to be avoided in all cases; also, any comparison across renewable and non-renewable electricity generation technologies must clearly point out the intrinsically short-term nature of the NEA viewpoint, which does not capture the long-term sustainability implications of renewable vs. non-renewable primary energy harvesting and use: non-renewable primary energy resources are depleted and finally exhausted (irrespective of the size of the EROI), while renewable primary energy resources are not. This document provides an in-depth discussion of a common metric of NEA, namely the energy return on investment (EROI), and how this is to be interpreted vis-a-vis the deceptively similar-sounding metrics in the field of Life Cycle Assessment (LCA): cumulative energy demand (CED) and non-renewable cumulative energy demand (nr-CED) per unit output. Specifically, a number of key differences are highlighted between these metrics as applied to electricity production systems, which are listed in Table S-1.

14 SOLAR ENERGY↗

Variable resolution Poisson-disk sampling for meshing discrete fracture networks

Here, we present the near-Maximal Algorithm for Poisson-disk Sampling (nMAPS) to generate point distributions for variable resolution Delaunay triangular and tetrahedral meshes in two and three-dimensions, respectively. nMAPS consists of two principal stages. In the first stage, an initial point distribution is produced using a cell-based rejection algorithm. In the second stage, holes in the sample are detected using an efficient background grid and filled in to obtain a near-maximal covering. Extensive testing shows that nMAPS generates a variable resolution mesh in linear run time with the number of accepted points. We demonstrate nMAPS capabilities by meshing three-dimensional discrete fracture networks (DFN) and the surrounding volume. The discretized boundaries of the fractures, which are represented as planar polygons, are used as the seed of 2D-nMAPS to produce a conforming Delaunay triangulation. The combined mesh of the DFN is used as the seed for 3D-nMAPS, which produces conforming Delaunay tetrahedra surrounding the network. Under a set of conditions that naturally arise in maximal Poisson-disk samples and are satisfied by nMAPS, the two-dimensional Delaunay triangulations are guaranteed to only have well-behaved triangular faces. While nMAPS does not provide triangulation quality bounds in more than two dimensions, we found that low-quality tetrahedra in 3D are infrequent, can be readily detected and removed, and a high-quality balanced mesh is produced.

97 MATHEMATICS AND COMPUTING↗

Metal–ceramic composite structures for fabrication of high power density plasmonic devices

The recent decade brought many advances to plasmonics, but high power density plasmonic antennas designed to behave as heaters or operate in high temperature environments are still facing material stability challenges preventing their ultimate use. Gold has been the optimal choice among plasmonic materials but experiences morphology changes at temperature that result in device efficiency reduction and failure. Bulk titanium nitride has been explored as a solution but has deal-breaking tradeoffs in device quality factor. In this paper, we explore via proof-of-concept the use of a metal–ceramic composite structure to determine whether a bulk Au nanorod can provide strong plasmonic resonances while coated with an ultrathin conformal layer of titanium nitride or silica to provide morphological stability and sufficient plasmonic activity without excessive resonance quality degradation. We show SEM-level morphological stability for temperatures up to 500 °C with coatings below 4 nm. Computer modeling suggests the ultrathin titanium nitride has detrimental effects on the strong plasmonic resonances of a Au nanorod. Here, we then looked into other possible coatings for solutions to stabilize high power density plasmonic antennas including plasmonic oxides, metal adhesion layers, and silica, the latter appearing to be the best option while lowering the overall peak electric field intensity, the silica increases the electric field intensity at its boundary.

36 MATERIALS SCIENCE↗

Role of Selenium in CdZnTeSe as a Defect Engineering Agent

Cadmium zinc telluride (CdZnTe) with 10 atomic % Zn has been the material of choice for room-temperature semiconductor compact X- and gamma-ray detector applications for over three decades. Despite its commercial success as the most desirable room-temperature semiconductor radiation detection material, CdZnTe (CZT) suffers from a lack of compositional homogeneity on both the micro- and macroscales and the presence of high concentrations of performance-limiting defects such as subgrain boundary networks (dislocation walls) and secondary phases (Te-rich inclusions). Random distributions of these defects in the CZT matrix result in the spatial inhomogeneity of the material’s charge-transport properties. The recently discovered quaternary Cd x Zn 1-x Te 1-y Se y (CZTS) has experienced remarkable advances in its material properties, with highly reduced defects and higher compositional homogeneity. This book chapter focuses on the presence of performance-limiting defects in CZT that have thus far hindered the yield and cost of high-quality detectors and restricted their widespread deployment for a variety of potential applications, particularly for their use as large-volume gamma detectors, where the demands on material perfection are significantly greater. This chapter also provides an overview of the recent developments in the quaternary material CZTS, particularly the effects of selenium (Se) in the CZTS matrix on the defect engineering of the quaternary alloy material and the advancement of CZTS as a potential next-generation detector operable at room temperature.

Roy, Utpal N.↗