SEARCH · Engineering Papers

Results for “Rapid Process Design”

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.

SourceResearch connectionFrom yearThrough year

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

At least 1,693 records · Page 94

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Unified description of DGLAP, CSS, and BFKL evolution: TMD factorization bridging large and small x

This paper introduces a transverse-momentum dependent (TMD) factorization scheme designed to unify both large and small Bjorken-x regimes. We compute the next-to-leading order quantum chromodynamics (QCD) corrections to the gluon TMD operator for an unpolarized hadron within this proposed scheme. This leads to the emergence of a new TMD evolution, incorporating those in transverse momentum, rapidity, and Bjorken-x. When matched to the collinear factorization scheme, our factorization scheme faithfully reproduces the well-established Dokshitzer-Gribov-Lipatov-Altarelli-Parisi and Collins-Soper-Sterman (CSS) evolutions. Conversely, matching with high-energy factorization not only yields the Balitsky-Fadin-Kuraev-Lipatov evolution but also reveals distinctive signatures of CSS logarithms. The development of this novel TMD factorization scheme, capable of seamlessly reconciling disparate Bjorken-x regimes and faithfully reproducing established QCD evolution equations, has the potential to significantly advance our comprehension of high-energy processes and three-dimensional parton structures of hadrons. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1989

A rapid prototyping/artificial intelligence approach to space station-era information management and access

Applications of rapid prototyping and Artificial Intelligence techniques to problems associated with Space Station-era information management systems are described. In particular, the work is centered on issues related to: (1) intelligent man-machine interfaces applied to scientific data user support, and (2) the requirement that intelligent information management systems (IIMS) be able to efficiently process metadata updates concerning types of data handled. The advanced IIMS represents functional capabilities driven almost entirely by the needs of potential users. Space Station-era scientific data projected to be generated is likely to be significantly greater than data currently processed and analyzed. Information about scientific data must be presented clearly, concisely, and with support features to allow users at all levels of expertise efficient and cost-effective data access. Additionally, mechanisms for allowing more efficient IIMS metadata update processes must be addressed. The work reported covers the following IIMS design aspects: IIMS data and metadata modeling, including the automatic updating of IIMS-contained metadata, IIMS user-system interface considerations, including significant problems associated with remote access, user profiles, and on-line tutorial capabilities, and development of an IIMS query and browse facility, including the capability to deal with spatial information. A working prototype has been developed and is being enhanced.

Carnahan, Richard S., Jr.↗

NASA NTRSDate not supplied

Managing the Digital Thread for Structural Applications With Fit for Purpose Materials

With the increased emphasis on reducing the cost and time to market of new materials, the need for analytical tools that enable the virtual design and optimization of materials throughout their processing - internal structure - property - performance envelope, along with the capturing and storing of the associated material and model information across its lifecycle, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. Consequently, at NASA Glenn Research Center a robust information management system that manages the digital thread across the full material life (i.e., capture, analysis, maintenance, and dissemination of data) cycle directed at the design of ‘fit-for-purpose materials’ is under development. To this end the Application Table has been incorporated within NASA Glenn Research Center’s ICME Information Management framework within the ANSYS Granta MI tool. The Application Table provides a place where material and structural application information/requirements can be linked to marry the “design-the-material” (structural engineering) and the “design-with-material” (material science) paradigms and thereby enable application-driven design and optimization of materials and structures. In additional several associated toolsets, specifically: AIMAOS (Automated Information Management Across Organizations and Scales), Py MILab, and JARIMIS (Just A Rather Intelligent Material Interrogation System) are also under development to assist in the judicious automation of this process. AIMOAS offers users an interactive graphical user interface for connecting material information management systems with both commercial and in-house simulation tools at various length scales to enable such automation in the handoff across scales and maintenance of material digital twins and the digital thread. Py MILab, is an automatic framework for the capture, analysis, maintenance, and storage of material test data. Py MILab uses a modular approach for capturing raw data, analyzing the data, and storing the data in a database, interfaced by neutral file structures, to promote plug-and-play capabilities for various analysis types. Finally, JARIMIS is an expert system that integrates various materials informatics tools (e.g., MicroNet, Surrogate ML models, ANSYS Granta MI, etc.) to enable inverse design of materials and facilitate the application of machine learning (ML) and data science with human in the loop decision making to rapidly discover and optimize new materials.

Digital Transformation↗

DOE OSTI2023

Industry Facing PV Degradation Prediction Tool and Database to Enable a 50-Year Life Module

The Photovoltaic (PV) industry constantly aims for lower costs, higher-efficiency cells, and improved module designs. These trends lead to using new materials, designs, and manufacturing processes, resulting in a continually changing technological landscape. These changes can potentially introduce new, unknown degradation mechanisms and failure modes that are difficult to diagnose, analyze, test, and model. This introduces uncertainty into the expected lifetime of PV modules of 25 years. Furthermore, research efforts aim for up to 50 years of service life while keeping performance degradation at a minimum for decades of outdoor weathering - putting additional pressure on improving the accuracy of long-term durability and reliability assessments. Here there is a need to organize the existing degradation data into an accessible format and to provide industry relevant tools for extrapolation from laboratory to field conditions. Because the core of this type of analysis involves calculations that are complicated but ubiquitous for many degradation processes, an enhanced predictive modeling framework will facilitate the analysis to help researchers keep up with the rapid pace of technological changes. In this work, we present an online tool that can be used to search for and analyze degradation information and extrapolate PV module performance and durability to field exposure. A graphical user interface will aid in the understanding of the results. The prediction tool will be built modular and published as open source, enabling users to expand on the existing framework. We use an integration pipeline approach that allows us to leverage weather data from the National Solar Radiation Database to perform geospatial degradation analysis in the US and worldwide. Our repository will contain various degradation models and material parameters suitable for the reliability and durability assessment of materials and components deployed outdoors. We hope to become a repository that can be used for weathering and degradation analysis for various applications beyond the PV industry.

degradation↗

DOE OSTI2022

Development of k{sub eff} in the unfolding process of the LOTUS reactor design

An innovative small thermal reactor concept named LOTUS, which is a pool-type reactor aimed at heat supply. The passive concept applied in the LOTUS and it has a separable core. It means that its core can passively unfold into four parts along its central axis only with the buoyancy and gravity when some accidents happen, especially the wall rupture of the pool caused by earthquake, aircraft impact and so on. This idea can effectively enhance the ability of pool-type reactor for resisting some severe accidents. We have executed some pre-computations in order to check a non-supercritical system for the transient simulation. In this paper, the development of k{sub eff} have been calculated by both stepwise steady-state and transient modes using Serpent, as well as including some sensitivity analyses about the k{sub eff} to unfolding velocity, inserting velocity of control rod (CR) and time step. The result showed that k{sub eff} value decreased definitely as the reactor unfolded and the consistent change exposed between the stepwise steady state and transient result when the unfolding angle varied from 0 to 1 degree. However, the stepwise steady state k{sub eff} negatively declined after that angle, which demonstrated that for such a dynamic unfolding change the transient mode was more suitable, peculiarly for considering delayed neutrons and neutron moderation. For sensitivity calculation, the k{sub eff} decreased more rapidly as the unfolding velocity and inserting velocity of CR increased, and a smaller time step corresponded to a more stable change. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Integration of machine learning with neutron scattering for the Hamiltonian tuning of spin ice under pressure

Quantum materials research requires co-design of theory with experiments and involves demanding simulations and the analysis of vast quantities of data, usually including pattern recognition and clustering. Artificial intelligence is a natural route to optimise these processes and bring theory and experiments together. Here, we propose a scheme that integrates machine learning with high-performance simulations and scattering measurements, covering the pipeline of typical neutron experiments. Our approach uses nonlinear autoencoders trained on realistic simulations along with a fast surrogate for the calculation of scattering in the form of a generative model. We demonstrate this approach in a highly frustrated magnet, Dy 2 Ti 2 O 7 , using machine learning predictions to guide the neutron scattering experiment under hydrostatic pressure, extract material parameters and construct a phase diagram. Our scheme provides a comprehensive set of capabilities that allows direct integration of theory along with automated data processing and provides on a rapid timescale direct insight into a challenging condensed matter system.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Super-Resolution Ptychography with Small Segmented Detectors

To overcome the spatial resolution limit set by aperture-limited diffraction in traditional scanning transmission electron microscopy, microscopists have developed ptychography enabled by iterative phase retrieval algorithms and high-dynamic-range pixel array detectors. Current detector designs are limited by the data rate off chip, so a high-pixel-count detector has a proportionally lower frame rate than the few-segment detectors used for differential phase contrast (DPC) imaging. This slower acquisition speed leads to heightened vulnerability to scan noise, drift, and potential sample damage. This creates opportunities for repurposing fast segmented detectors for ptychography by trading a reduction in reciprocal space pixels for an increase in real space pixels. Here, we explore a strategy of oversampling in real space and instead apply detector pixel upsampling during the reconstruction process. Further, we demonstrate the viability of achieving super-resolution ptychography on thin objects using only 2 × 2 detector pixels, surpassing the resolution of integrated DPC (iDPC) imaging. With optimization using simulated datasets and experiments on MoTe 2 /WSe 2 bilayer moiré superlattices, we achieved super-resolution ptychography reconstructions under rapid acquisition conditions (37.5 pA, 1 μs dwell time), yielding over 50% improvements in contrast and information limit compared to annular dark field and iDPC imaging on the same detectors.

2D materials↗

DOE OSTI2017

SISGR: Physical Chemistry of Reaction Dynamics in Ionic Liquids

Room temperature ionic liquids (RTILs) are liquids made up of atomic and molecular ions. This is in contrast with more common liquids, such as water, that are made up of neutral molecules. The additional charges on the atoms and molecules can alter the properties of these liquids, for example they tend to have a very high vapor pressure and the ability to shield charge in electronic devices. For these and other reasons RTILs have recently been deployed in a number of applications that involve production of free electrons in the liquid, such as batteries, capacitors, nuclear power plants, and solar cells. Electrons tend to be very reactive, and understanding their behaviour in these liquids is important for the future design of ionic liquids to be employed in these environments. This study investigated the behavior of electrons generated in RTILs by pulses of ultraviolet light, including how long they survive, and how reactive they are with the both the surrounding liquid and impurities in the liquid. The ionic liquid studied was one of the most commonly used, called N-alkyl-N-methyl-pyrrolidinium bistriflimide. What the study revealed was that the majority of the electrons initially created, about 96%, had a very short lifetime of less than one picosecond (10-12 second) due to a process called geminate recombination. The study also demonstrated that the electrons are very reactive at the moment they are detached from the molecules in the liquid by light, but that they relax very quickly and lose almost all of their reactivity in much less than one picosecond. The short lifetime and rapid loss of reactivity both serve as important mechanisms that protect the liquid from radiolytic damage.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2004

The Effects of Gravity on the Crystallization Behavior of Heavy Metal Fluoride Glasses

Heavy metal fluoride glasses are used in such applications as fiber lasers and laser amplifiers. ZrF4-BaF2-LaF3-AlF3-NaF (ZBLAN) is one of the more commonly used heavy metal fluoride glasses. ZBLAN is an infrared transmitter and has a theoretical attenuation coefficient of 0.002 db/km. However, due to impurities and small crystallites this attenuation coefficient has not been achieved to date. ZBLAN is a fragile glass which can lead to rapid crystallization, if the glass is not cooled rapidly to below the glass transition temperature or if the glass is reheated near the crystallization temperature for any period of time. Studies carried on at Marshall Space Flight Center and the University of Alabama in Huntsville since 1993 have shown that heating ZBLAN glass at the crystallization temperature in reduced gravity results in a suppression of crystallization when compared to ZBLAN processed in unit gravity. These studies utilized NASA's KC-135 aircraft and the Conquest sounding rocket. In the first series of experiments, short lengths of ZBLAN fiber were heated to the crystallization temperature in reduced gravity on board the KC- 135 and the Conquest sounding rocket and compared with fibers heated in unit gravity. The fibers processed in reduced gravity showed no evidence of crystallization when studied with x-ray diffraction and scanning electron microscopy. However, the fibers processed in unit gravity were completely crystallized. Subsequent experiments included heating small pieces of ZBLAN glass at the crystallization temperature while viewing with a video camera to follow the crystallization phenomenon. In this experiment crystallization was observed in reduced gravity, however, it was suppressed when compared to heating in unit gravity. In the most recent experiment on board the KC-135, rapid thermal analysis of ZBLAN was performed. A mechanism to explain the observations has been proposed. This mechanism is based on shear thinning whereby, the glass undergoes a reduction in viscosity in the 10(exp 5) - 10(exp 7) poise range, allowing more rapid diffusion and thus crystallization. It is proposed that this mechanism is suppressed in reduced gravity. An experiment is presently being conducted to test this theory. With increased knowledge of ZBLAN behavior in reduced gravity, three low earth orbit tiber drawing facilities have been designed. One would be suitable for use on the International Space Station, another while aboard the Space Shuttle and the third system is a fully automated facility which would operate independently of the ISS or Shuttle in a free float mode. The primary benefits of free floating a facility in LEO includes a higher quality of microgravity and reduced safety concerns since it is not in a manned environment.

Tucker, Dennis S.↗

DOE OSTI2019

The Role of Excited State Proton Relays on the Photochemical Dynamics of Water Nanodroplets

In this work, we applied non-adiabatic excited state molecular dynamics in tandem with ab initio electronic structure theory to illustrate a complete mechanistic landscape underpinning the UV absorption initiated photochemical dynamics in water nanodroplets. The goal is to understand the nonequilibrium excited state molecular dynamics initiated by the relaxation of solvated photoelectron, and consequential photochemical processes. The lowest-lying excited state shows the proton dissociation for a single water molecule forming intermediate hydronium complexes through a proton relay. At approximately 100 femtoseconds, the proton relay process gives rise to the relaxation of the excited state accompanied with a rapid increase in the non-adiabatic coupling strength with the ground state, and the nanodroplet non-radiatively decays. The non-adiabatic transition to the ground state produces excited vibrational states that facilitate the recombination of the dissociated proton and hydroxyl group, eventually leading to the desorption of water molecules from the nanodroplet. Additionally, lifetimes of transient photochemical events are also resolved for the relaxation of solvated electron, excited state proton relay, and non-radiative transition.

Stetina, Torin F.↗

DOE OSTI2012

Next Generation Solvent – Materials Compatibility with Polymer Components within Modular CausticSide Solvent Extraction Unit (Final Report)

The Office of Waste Processing, within the Office of Technology Innovation and Development, is funding the development of an enhanced solvent for deployment at the Savannah River Site for removal of cesium from High Level Waste. The technical effort is collaboration between Oak Ridge National Laboratory (ORNL), Savannah River National Laboratory (SRNL), and Argonne National Laboratory. The first deployment target for the technology is within the Modular Caustic-Side Solvent Extraction Unit (MCU). Deployment of a new chemical within an existing facility requires verification that the chemical components are compatible with the installed equipment. In the instance of a new organic solvent, the primary focus is on compatibility of the solvent with organic polymers used in the facility. This report provides the data from exposing these polymers to the Next Generation Solvent (NGS). The test was conducted over six months. An assessment of the dimensional stability of polymers present in MCU (i.e., PEEK, Grafoil, Tefzel and Isolast) in the modified NGS (where the concentration of LIX®79 and MaxCalix was varied systematically) showed that LIX®79 selectively affected Tefzel and its different grades (by an increase in size and lowering its density). The copolymer structure of Tefzel and possibly its porosity allows for the easier diffusion of LIX®79. Tefzel is used as the seat material in some of the valves at MCU. Long term exposure to LIX®79, may make the valves hard to operate over time due to the seat material (Tefzel) increasing in size. However, since the physical changes of Tefzel in the improved solvent are comparable to the changes in the CSSX baseline solvent, no design changes are needed with respect to the Tefzel seating material. PEEK, Grafoil and Isolast were not affected by LIX®79 and MaxCalix within six months of exposure. The initial rapid weight gain observed in every polymer is assigned to the finite and limited uptake of Isopar® L/Modifier by the polymers probably due to the polymers porosity and rough surfaces. Spectroscopic data on the organic liquid and the polymer surfaces showed no preferential adsorption of any component in the NGS to the polymers and with the exception of CPVC, no leachate was observed in the NGS from any of the polymers studied. The testing shows no major concerns for compatibility over the short duration of these tests but does indicate that longer duration exposure studies are warranted, especially for Tefzel. However, the physical changes experienced by Tefzel in the improved solvent were comparable to the physical changes obtained when Tefzel is placed in CSSX baseline solvent. Therefore, there is no effect of the improved solvent beyond those observed in CSSX baseline solvent.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

Mechanistic Understanding of the Growth Kinetics and Dynamics of Nanoparticle Superlattices by Coupling Interparticle Forces from Real-Time Measurements

Superlattice structures formed by nanoparticle (NP) self-assembly have attracted increasing attention due to their potential as a novel class of nanomaterials with enhanced physicochemical properties tailored by the assembly structure. However, many key questions remain regarding the correlation between the dynamics of individual NPs and the emerging superlattice patterns. Here we investigated the self-assembly of gold NPs by employing in situ transmission electron microscopy equipped with direct detection camera capabilities, which enabled us to track the rapid motion of individual nanoparticles in real time. By calculating the contributions of Brownian, van der Waals, hydrodynamic, and steric hindrance forces, we obtained a quantitative evaluation of the competitive interactions that drive the assembly process. Such competition between forces over various separations is critical for the kinetics of cluster growth, as well as the superlattice formation. Brownian motion resulted in random particle motions to form small-sized clusters, whose growth dynamics was characterized as reaction-limited aggregation. Subsequently, at relative short-range particle separation, van der Waals force overrode the Brownian force and dominantly drove the assembly process. In the close proximity, a delicate balance between van der Waals and steric hindrance forces surprisingly led to a unique dynamic nature of the assembled superlattice. Our study provides a fundamental understanding of coupling energetics and dynamics of NPs involved in the assembly process, enabling the control and design of the structure of nanoparticle superlattices.

Lee, Jaewon↗

DOE OSTI2023

From Deposition to Encapsulation: Roll-to-roll manufacturing of organic light emitting devices for lighting (Final Report)

Organic light emitting devices (OLEDs) are promising solid state light sources due to their high efficiency, high color quality and flexible form factors. The key to enable low cost OLED lighting, is to rapidly fabricate thin film organic layers on a continuous flexible roll, called R2R processing. This project aims to investigate the feasibility of mass production of OLED lighting using the R2R process, from deposition to encapsulation. A high efficiency white OLED is fabricated on 10 cm-wide substrate rolls in a pilot R2R tool comprising of two different organic deposition: vacuum thermal evaporation (VTE) and organic vapor phase deposition (OVPD). A high quality encapsulation process to package OLEDs is demonstrated using an atomic layer deposition tool integrated to the R2R system without air exposure. The method to achieve ultrahigh deposition rates required by R2R processing is demonstrated by OVPD. Uniform organic semiconductor thin films grown by OVPD at rates as high as 50 Å/s are achieved. A comprehensive numerical model that is capable of simulating complex, multilayer WOLED structures is developed to provide an alternative to experimental iterations of OLED design and tests. A cost estimate on the R2R production of WOLEDs for lighting is developed. Assuming a WOLED luminance of 10 klm/m 2 , the cost of a WOLED light engine is anticipated to be $\$ 12.5$ /klm. With incremental reduction in material and driver costs and improved luminance, the cost of WOLED lighting can be reduced to $\$ 6.3$ /klm in the near term. These findings suggest OLED lighting can be volume manufactured by R2R vapor deposition methods with much reduced costs compared to current batch processing methods, potentially positioning WOLEDs for use in numerous premium lighting applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2015

Material Surface Characteristics and Plasma Performance in the Lithium Tokamak Experiment

The performance of a tokamak plasma and the characteristics of the surrounding plasma facing component (PFC) material surfaces strongly influence each other. Despite this relationship, tokamak plasma physics has historically been studied more thoroughly than PFC surface physics. The disparity is particularly evident in lithium PFC research: decades of experiments have examined the effect of lithium PFCs on plasma performance, but the understanding of the lithium surface itself is much less complete. This latter information is critical to identifying the mechanisms by which lithium PFCs affect plasma performance. This research focused on such plasma-surface interactions in the Lithium Tokamak Experiment (LTX), a spherical torus designed to accommodate solid or liquid lithium as the primary PFC. Surface analysis was accomplished via the novel Materials Analysis and Particle Probe (MAPP) diagnostic system. In a series of experiments on LTX, the MAPP x-ray photoelectron spectroscopy (XPS) and thermal desorption spectroscopy (TDS) capabilities were used for in vacuo interrogation of PFC samples. This represented the first application of XPS and TDS for in situ surface analysis of tokamak PFCs. Surface analysis indicated that the thin (d ~ 100nm) evaporative lithium PFC coatings in LTX were converted to Li2O due to oxidizing agents in both the residual vacuum and the PFC substrate. Conversion was rapid and nearly independent of PFC temperature, forming a majority Li2O surface within minutes and an entirely Li2O surface within hours. However, Li2O PFCs were still capable of retaining hydrogen and sequestering impurities until the Li2O was further oxidized to LiOH, a process that took weeks. For hydrogen retention, Li2O PFCs retained H+ from LTX plasma discharges, but no LiH formation was observed. Instead, results implied that H+ was only weakly-bound, such that it almost completely outgassed as H2 within minutes. For impurity sequestration, LTX plasma performance—ascertained from plasma current and density measurements—progressively improved as plasma carbon and oxygen impurity levels fell. This was true for PFC conditioning by vacuum baking and argon glow discharge cleaning, as well as by lithium evaporation. Some evidence suggested that impurity sequestration was more important than hydrogen retention in enhancing LTX plasma performance. In contrast with expectations for lithium PFCs, heating the Li2O PFCs in LTX caused increased plasma impurity levels that tended to reduce plasma performance.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2012

Energy Saving Glass Lamination via Selective Radio Frequency Heating

This project focused on advancing radio-frequency (RF) lamination technology closer to commercial implementation, in order to reduce the energy intensity of glass lamination by up to 90%. Lamination comprises a wide range of products including autoglass, architectural safety and innovative design glass, transparent armor (e.g. bullet proof glass), smart glass, mirrors, and encapsulation of photovoltaics. Lamination is also the fastest growing segment of glass manufacturing, with photovoltaics, architectural needs, and an anticipated transition to laminated side windows in vehicles. The state-of-the-art for glass lamination is to use autoclaves, which apply heat and uniform gas pressure to bond the laminates over the course of 1 to 18 hours. Laminates consist of layers of glass or other materials bonded with vinyl or urethane interlayers. In autoclaving, significant heat energy is lost heating the chamber, pressurized air, glass racks, and the glass. In RF lamination, the heat is generated directly in the vinyl interlayer, causing it to heat and melt quickly, in just 1 to 10 minutes, without significantly heating the glass or the equipment. The main purpose of this project was to provide evidence that low energy, rapid RF lamination quality met the same standards as conventionally autoclaved windows. The development of concepts for laminating curved glass with RF lamination was a major goal. Other primary goals included developing a stronger understanding of the lamination product markets described above, and to refine the potential benefits of commercial implementation. The scope of the project was to complete implementation concept studies in preparation for continuation into advanced development, pilot studies, and commercial implementation. The project consisted of 6 main tasks. The first dealt with lamination with poly-vinyl butyral (PVB) interlayers, which prior work had shown difficulties in achieving good quality laminates, working with Pilkington North America. The second task dealt with a study of current lamination processes in the various laminate industries, and development of concepts for integrating RF lamination into new or existing processes. The third task explored the use of a non-destructive technique for analyzing laminate adhesion with the University of Illinois at Urbana-Champaign. The fourth task focused on developing concepts for curved glass lamination using RF lamination. The fifth and sixth tasks together comprised an analysis of laminate product markets, ranking for applicability and commercialization potential, and the development of commercialization strategies for those products. In addition, throughout the project as new experimental data and conventional process data were obtained, the benefits analysis of RF lamination was refined. The goals of the project described above were achieved, positioning RF lamination for the next stage growth envisioned in the original Industrial Grand Challenge proposal. Working with Pilkington North America, lamination of flat autoglass with PVB was achieved, meeting all 16 stringent industry tests. In particular, PVB laminates made with RF lamination passed environmental tests including the high temperature, 120 C bake test, without significant formation of bubbles (defects). The adhesion of PVB to glass was measured using the pummel method. Adhesion values ranging from 1 to 7 out of 10 were obtained. The significant process parameters affecting the environmental and adhesion performance were identified through a designed experiment. Pre-lamination process variables including PVB storage humidity and the de-airing process (vacuum or nip rolling) were significant, as well as the level of pressure applied to the laminate during the RF process. Analysis of manufacturing with RF lamination equipment, based on the processes developed indicated that 3 RF presses could replace a typical auto-industry autoclave to achieve equal or greater throughput with possibly less capital cost and smaller footprint. Concepts for curved lamination identifying castable molds for prototyping were developed, which allowed Ceralink to obtain commitment to begin curved tooling development. The project significantly helped to advance RF lamination past the feasibility and novelty stage and into the realm of commercial acceptance as a viable alternative to autoclaves. The demonstration of autoclave-quality autoglass produced in just 1 minute with RF lamination, with validation by Pilkington, has fueled industry motivation to seriously consider RF lamination. The industry and other contacts and outreach made in the study of laminate markets (including 3 technical publications and 5 conference presentations), has resulted in a recent surge in RF lamination activity.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2012

Energy Saving Glass Lamination via Selective Radio Frequency Heating

This project focused on advancing radio-frequency (RF) lamination technology closer to commercial implementation, in order to reduce the energy intensity of glass lamination by up to 90%. Lamination comprises a wide range of products including autoglass, architectural safety and innovative design glass, transparent armor (e.g. bullet proof glass), smart glass, mirrors, and encapsulation of photovoltaics. Lamination is also the fastest growing segment of glass manufacturing, with photovoltaics, architectural needs, and an anticipated transition to laminated side windows in vehicles. The state-of-the-art for glass lamination is to use autoclaves, which apply heat and uniform gas pressure to bond the laminates over the course of 1 to 18 hours. Laminates consist of layers of glass or other materials bonded with vinyl or urethane interlayers. In autoclaving, significant heat energy is lost heating the chamber, pressurized air, glass racks, and the glass. In RF lamination, the heat is generated directly in the vinyl interlayer, causing it to heat and melt quickly, in just 1 to 10 minutes, without significantly heating the glass or the equipment. The main purpose of this project was to provide evidence that low energy, rapid RF lamination quality met the same standards as conventionally autoclaved windows. The development of concepts for laminating curved glass with RF lamination was a major goal. Other primary goals included developing a stronger understanding of the lamination product markets described above, and to refine the potential benefits of commercial implementation. The scope of the project was to complete implementation concept studies in preparation for continuation into advanced development, pilot studies, and commercial implementation. The project consisted of 6 main tasks. The first dealt with lamination with poly-vinyl butyral (PVB) interlayers, which prior work had shown difficulties in achieving good quality laminates, working with Pilkington North America. The second task dealt with a study of current lamination processes in the various laminate industries, and development of concepts for integrating RF lamination into new or existing processes. The third task explored the use of a non-destructive technique for analyzing laminate adhesion with the University of Illinois at Urbana-Champaign. The fourth task focused on developing concepts for curved glass lamination using RF lamination. The fifth and sixth tasks together comprised an analysis of laminate product markets, ranking for applicability and commercialization potential, and the development of commercialization strategies for those products. In addition, throughout the project as new experimental data and conventional process data were obtained, the benefits analysis of RF lamination was refined. The goals of the project described above were achieved, positioning RF lamination for the next stage growth envisioned in the original Industrial Grand Challenge proposal. Working with Pilkington North America, lamination of flat autoglass with PVB was achieved, meeting all 16 stringent industry tests. In particular, PVB laminates made with RF lamination passed environmental tests including the high temperature, 120°C bake test, without significant formation of bubbles (defects). The adhesion of PVB to glass was measured using the pummel method. Adhesion values ranging from 1 to 7 out of 10 were obtained. The significant process parameters affecting the environmental and adhesion performance were identified through a designed experiment. Pre-lamination process variables including PVB storage humidity and the de-airing process (vacuum or nip rolling) were significant, as well as the level of pressure applied to the laminate during the RF process. Analysis of manufacturing with RF lamination equipment, based on the processes developed indicated that 3 RF presses could replace a typical auto-industry autoclave to achieve equal or greater throughput with possibly less capital cost and smaller footprint. Concepts for curved lamination identifying castable molds for prototyping were developed, which allowed Ceralink to obtain commitment to begin curved tooling development. The project significantly helped to advance RF lamination past the feasibility and novelty stage and into the realm of commercial acceptance as a viable alternative to autoclaves. The demonstration of autoclave-quality autoglass produced in just 1 minute with RF lamination, with validation by Pilkington, has fueled industry motivation to seriously consider RF lamination. The industry and other contacts and outreach made in the study of laminate markets (including 3 technical publications and 5 conference presentations), has resulted in a recent surge in RF lamination activity.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Laser annealing of electrodeposited CuInSe 2 semiconductor precursors: experiment and modeling

Laser annealing can reduce the annealing time required to form Cu(In,Ga)(S,Se) 2 (CIGSe) thin films for use in thin film photovoltaics to a single second timescale, if not faster. In this work, we use microstructural characterization coupled with modeling of the optical and thermal properties to understand the laser annealing of three types of electrodeposited precursor stacks for the CIGSe parent compound CuInSe 2 . The precursor films are: stacked elemental layers Cu/In/Se, stacked binary selenides In 2 Se 3 /Cu 2– x Se, and a single layer of coelectrodeposited Cu–In–Se. Conceptually, these stacks are ordered in terms of decreasing stored chemical and interfacial potential free energy, consideration of which predicts that the formation of large grained CuInSe 2 from the stacked elemental layers would be the most exothermic and thus most rapid process. However we find that microstructural details of the electrodeposited films such as void fraction present in the stacked binary selenides dramatically alter the heat and mass flow. Additionally, modeling of the optical absorption within the elemental stacked precursor suggests extremely localized heating at the In/Se interface resulting in significant Se loss. Despite its lower chemical potential energy, the coelectrodeposited CuInSe 2 precursor's more uniform optical absorption of near-bandgap light coupled with its compact, low void fraction microstructure of nano-sized grains results in the most optimal recrystallization and compositional homogenization via interdiffusion. Furthermore this annealed layer formed a working device with a short circuit current density of 23 mA cm –2 . As a result, this combined modeling and experimental investigation underscores the need to consider practical micro- and nanostructure-dependent properties as well as the optical absorption and not simply thermodynamics when designing accelerated two step deposition and annealing processes for compound semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Phenylene-linked tetrapyrrole arrays containing free base and diverse metal chelate forms – Versatile synthetic architectures for catalysis and artificial photosynthesis

Tetrapyrrole macrocycles are central to photosynthesis yet a single macrocycle does not carry out photosynthesis; rather, assemblies of tetrapyrrole macrocycles work in concert in antenna complexes, reaction centers, and electron-transport chains to harvest sunlight, funnel excited-state energy and separate charge for biological use. A longstanding theme in artificial photosynthesis has been to construct covalently linked “arrays” of metalated and free base tetrapyrrole macrocycles for fundamental studies of such processes, which entail excited-state and ground-state interactions. Among linkers in arrays chemistry, the 1,2-, 1,3-, or 1,4-disubstituted phenylene unit has proved very attractive owing to the resulting short distance, defined architecture, and appropriate extent of electronic coupling of adjacent macrocycles to give rapid electron and/or energy transfer while largely retaining desired spectral features. Eight distinct strategies to construct phenylene-linked tetrapyrrole arrays are identified in a review with comprehensive coverage since inception in the early 1970s through mid-year 2021. The arrays predominantly incorporate porphyrins with very few chlorins and bacteriochlorins, reflecting historic availability of synthetic methods for macrocycle formation. Of the eight strategies, only two appear applicable to (bacterio)chlorins. While studies in artificial photosynthesis have largely fueled this field, applications in catalysis have also been examined. Altogether >400 arrays are covered. The review delves into synthesis and molecular design, sketches photophysical properties, and suggests unrealized opportunities in arrays chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗