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Comprehensive computer model for magnetron sputtering. I. Gas heating and rarefaction

The complex interaction between several variables in magnetron sputtering discharges is a challenge in developing engineering design tools for industrial applications. For instance, at high pressures, rarefaction and gas heating should no longer be neglected for determining several parameters of the process. In this article, we use a comprehensive 3D reactor-scale simulator that incorporates most phenomena of interest in a self-consistent manner to simulate the transport of sputtered particles over a wide range of pressures and powers. Calculations of aluminum deposition rates and metal vapor densities are in reasonable agreement with experiments over a wide range of pressures and powers. Of the elements investigated (Al, Ti, and Cu), copper showed the greatest rarefaction (30%) due to its higher sputtering yield. Titanium, despite a slightly lower sputtering yield than Al, shows a greater rarefaction than aluminum as more particles are reflected from the target as high energy neutrals. In this case, a more efficient energy transfer process is responsible for the higher rarefaction observed in Ti sputtering when compared to Al. The authors also observed that by sputtering at a higher pressure, the probability of electron impact ionization of sputtered particles is increased and speculate about the role of this process in contrast to penning ionization, which is believed to be the dominant ionization mechanism in magnetron sputtering.

36 MATERIALS SCIENCE↗

Application of Chemical Looping with Spouting Fluidized Bed for Hydrogen-Rich Syngas Production from Catalytic Coal Gasification

The goal of this final project report is to comprehensively summarize the work conducted in project DE-FE0024000. In accordance with the Statement of Project Objectives (SOPO), the University of Kentucky Center for Applied Energy Research (UKy-CAER) developed a multifaceted particle as a catalyst-oxygen carrier (catalyst-OC) for chemical looping gasification. The project also included the design, fabrication, commissioning and performance evaluation of a novel spouted bed approach to gasifiers in conjunction with chemical looping concepts to significantly reduce the capital cost associated with typical gasification technologies. Specifically, UKy-CAER investigated red mud (RM) with and without Cu additives for catalytic and stability benefits in a bench scale reactor, provided the detailed front-end design of a 50 kWth chemical looping gasification (CLG) plant and completed a 70+ hour long experimental campaign to evaluate the coal feed system and the performance and flexibility of the 50 kWth facility with various coal and OCs. Project results verified UKy-CAER’s proposed approach to catalytic coal gasification technology using a chemical looping process with three reaction zones to provide in-situ separated oxygen for coal partial-combustion (e.g. gasification) with water-gas shift reaction. Central to the project was kinetically facile red mud OC and a spouted bed gasifier configuration that enabled the success of the following operation, performance and economic objectives: (1) Low-temperature gasifier operation (as low as 600°C); (2) Avoidance of ash and OCs aggolmeration; (3) Elimination of methane formation; and (4) Promotion of water-gas shift (WGS) reactions and syngas reforming. The red mud OC is economical and the novel spouted bed reducer shows promise, as summarized in this report, as an effective means for improved plant efficiency with reduced process complexity.

01 COAL, LIGNITE, AND PEAT↗

Highly efficient non-fullerene organic solar cells enabled by a delayed processing method using a non-halogenated solvent

The use of non-halogenated solvents is one of the important requirements for large-scale industry production of polymer solar cells (PSCs). However, the current high-performance PSCs are mostly obtained using halogenated solvents to ensure good solubility and morphology. In this work, we report high-performance PSCs processed using a halogen-free solvent (toluene), reaching an efficiency of 17.33%, which, to the best of our knowledge, is the highest value reported for PSCs processed from non-halogenated solvents. Importantly, we show a novel aggregation or “aging” process of the non-fullerene acceptor in the toluene solvent, which can be used to fine-tune the crystal size of the non-fullerene acceptor. As a result, we achieve an optimized nano-fibril like morphology of PM6:BTP-BO-4Cl by delaying the processing time. Furthermore ,this is conducive to charge dissociation and transport, and thus greatly improved device performance. This method is expected to be investigated further and applied to other PSC systems toward precise morphology optimization and performance improvements in the future.

36 MATERIALS SCIENCE↗

Energy Storage and Generation for Extreme Temperature and Pressure and Directional Measurement While Drilling Applications

FastCAP Systems Corporation has successfully completed all milestones defined by the award DE-EE0005503. Under this program, FastCAP developed three critical subassemblies to TRL3 demonstrating proof of concept of a geothermal MWD power source. This power source includes an energy harvester, electronics and a novel high temperature ultracapacitor (“ultracap”) rechargeable energy storage device suitable for geothermal exploration applications. FastCAP’s ruggedized ultracapacitor (ultracap) technology has been proven and commercialized in oil and gas exploration operating to rated temperatures of 150°C. Characteristics of this technology are that it is rechargeable and relatively high power. This technology was the basis for the advancements in rechargeable energy storage under this project. The ultracap performs reliably at 250°C and beyond and operates over a wide operating temperature range: -5°C to 250°C. The ultracap has significantly higher power density than lithium thionyl chloride batteries, a non-rechargeable incumbent used in oil and gas drilling today. Several hermetically sealed, prototype devices were tested in our laboratories at constant temperatures of 250°C showing no significant degradation over 2000 hours of operation. Other prototypes were tested at Sandia National Lab in the month of April, 2015 for a third party performance validation. These devices showed outstanding performance over 1000 hours of operation at three rated temperatures, 200°C, 225°C and 250°C, with negligible capacitance degradation and minimal equivalent series resistance (ESR) increase. Similarly, FastCAP’s ruggedized electronics have been proven and commercialized in oil and gas exploration operating to rated temperatures of 150°C. This technology was the basis for the advancements in downhole electronics under this project. Principal contributions here focused on design for manufacture innovations that have reduced the prototype build cycle time by a factor of 10x. The electronics have demonstrated a substantially reduced design cycle time by way of process and material selection innovations and have been qualified for 250°C / 10 Grms for at least 200 hours. FastCAP has also invented a rotary inertial energy generator (RIEG) to harvest various mechanical energy sources that exist downhole. This device is flow-independent and has been demonstrated as a proof of concept to survive geothermal well temperatures under this project. The herein energy harvester has been developed to provide operational power by harvesting rotational mechanical energy that exists downhole in geothermal drilling. The energy harvester has been tested at 250°C / 10 Grms for 200 hours. Deployment of these technologies in geothermal drilling and exploration applications could have an immediate and significant impact on the effectiveness and efficiency of drilling processes, particularly with regard to use of advanced logging and monitoring techniques. The ultimate goal of this work is to reduce drilling risk to make geothermal energy more attractive and viable to the customer. Generally speaking, we aim to support the transfer of MWD techniques from oil and gas to geothermal exploration with considerations toward the practical differences between the two. One of the most significant obstacles to the deployment of advanced drilling and production techniques in the geothermal context are limitations related to the maximum operating temperatures of downhole batteries used to provide power for downhole sensors, steering tools, telemetry equipment and other MWD/LWD technologies. FastCAP’s higher temperature ultracapacitor technology will provide power solutions for similar advanced drilling and production techniques, even in the harsher environments associated with geothermal energy production. This ultracapacitor will enable downhole power solutions for the geothermal industry capable of the same reliable and safe operation our team has demonstrated in the oil and gas context. Without batteries, geothermal MWD is left without a downhole power source. Some very high temperature turbines exist but provide unsteady, intermittent power and no power when the flow is off. In high loss formations common to geothermal exploration, it will be auspicious to support air drilling in which case there is no flow to power a turbine at all. In the best case, rechargeable energy storage will help to buffer unsteady power from non-battery power sources and in the worst case it will be needed to store energy from highly intermittent sources to provide a continuously operable power source to the tool.

15 GEOTHERMAL ENERGY↗

Signature-extendable technology - Global space-based crop recognition

The use of signature-extendable technology to improve the efficiency of machine processing of remotely sensed data is examined. Temporal profile technology is employed to automatically recognize crops; the technique uses the Kauth and Thomas (1976) transform of Landsat, multidata, and parameters derived from a model of each crop's greenness-time trajectory. The basic characteristics of temporal profile technology and the U.S. based labeling algorithm are described. Consideration is given to signature extension, signature-extendable spaces, and signature-extendable features. The greenness and brightness parameters used in temporal profile technology are derived. The signature extendability of the parameters is evaluated by applying them to the analysis of corn and soybean crops in the U.S. and Argentina. It is noted that the technique is an affordable and efficient method for deriving data on crops on a global basis.

Hall, Forrest G.↗

Anion-Assisted Delivery of Multivalent Cations to Inert Electrodes

To understand and control key electrochemical processes - metal plating, corrosion, intercalation, etc. requires molecular-scale details of the active species at electrochemical interfaces and their mechanisms for de-solvation from the electrolyte. Using free energy sampling techniques we reveal the interfacial speciation of divalent cations in ether-based electrolytes and mechanisms for their delivery to an inert graphene electrode interface. Surprisingly, we find that anion solvophobicity drives a high population of anion-containing species to the interface that facilitate the delivery of divalent cations, even to negatively charged electrodes. Our simulations indicate that cation desolvation is greatly facilitated by cation-anion coupling. We propose anion solvophobicity as a molecular-level descriptor for rational design of electrolytes with increased efficiency for electrochemical processes limited by multivalent cation desolvation.

Electrochemical interfaces↗

Energy Efficiency of Low-Temperature Deaeration of Makeup Water for a District Heating System

It is shown that the temperature of makeup water in district heating systems has a strong effect on the energy efficiency of turbines of thermal power plants. A low-temperature deaeration process that considerably improves the energy efficiency of thermal power plants is developed. The desorbing agent is the gas supplied to the burners of the boiler. The energy efficiency of the process for a typical unit of thermal power plant is assessed.

42 ENGINEERING↗

Production Application Performance Data Streaming for System Monitoring

In this article, we present an approach to streaming collection of application performance data. Practical application performance tuning and troubleshooting in production high-performance computing (HPC) environments requires an understanding of how applications interact with the platform, including (but not limited to) parallel programming libraries such as Message Passing Interface (MPI). Several profiling and tracing tools exist that collect heavy runtime data traces either in memory (released only at application exit) or on a file system (imposing an I/O load that may interfere with the performance being measured). Although these approaches are beneficial in development stages and post-run analysis, a systemwide and low-overhead method is required to monitor deployed applications continuously. This method must be able to collect information at both the application and system levels to yield a complete performance picture. In our approach, an application profiler collects application event counters. A sampler uses an efficient inter-process communication method to periodically extract the application counters and stream them into an infrastructure for performance data collection. We implement a tool-set based on our approach and integrate it with the Lightweight Distributed Metric Service (LDMS) system, a monitoring system used on large-scale computational platforms. LDMS provides the infrastructure to create and gather streams of performance data in a low overhead manner. We demonstrate our approach using applications implemented with MPI, as it is one of the most common standards for the development of large-scale scientific applications. We utilize our tool-set to study the impact of our approach on an open source HPC application, Nalu. Our tool-set enables us to efficiently identify patterns in the behavior of the application without source-level knowledge. We leverage LDMS to collect system-level performance data and explore the correlation between the system and application events. Finally, we demonstrate how our tool-set can help detect anomalies with a low latency. We run tests on two different architectures: a system enabled with Intel Xeon Phi and another system equipped with Intel Xeon processor. Our overhead study shows our method imposes at most 0.5% CPU usage overhead on the application in realistic deployment scenarios.

59 BASIC BIOLOGICAL SCIENCES↗

Absence of a guiding effect and charge transfer in the interaction of keV-energy negative ions with Al{sub 2}O{sub 3} nanocapillaries

In this work, the efficient electron loss process was observed for the transmission of 10- to 18-keV Cu{sup -} and Cl{sup -} ions through Al{sub 2}O{sub 3} nanocapillaries. The fractions of the scattered particles were simultaneously measured using a position-sensitive microchannel plate detector. The neutrals were guided through the capillary via multiple grazing scattering. In particular, the scattered Cl{sup -} ions were observed in the transmission, whereas no Cu{sup -} ion was formed. In contrast to highly charged ions, these results support strongly the fact that the scattering events dominate the transport of negative ions through the nanocapillaries and that there is no direct evidence for the formation of negative charge patches inside the capillaries which are able to repulse and guide negative ions efficiently.

74 ATOMIC AND MOLECULAR PHYSICS↗

Understanding and Mitigating Stickiness in Biochar Produced through Acid Hydrolysis and Dehydration

Levulinic acid is a platform chemical with significant potential for conversion into a wide range of biobased chemicals and fuels. A common process for producing levulinic acid from lignocellulosic feedstocks involves acid hydrolysis and dehydration (AHDH), where hexose polymers are hydrolyzed into monomeric sugars and subsequently dehydrated to levulinic acid and formic acid in the presence of dilute sulfuric acid. However, scaling the AHDH process is challenging because of the formation of byproducts such as sticky biochar, which accumulates in continuous-flow reactors, reducing effective reaction volume and increasing process downtime. This study investigates the effect of a chemical preconditioning step on mitigating sticky biochar formation. Woody biomass was preconditioned at 170 °C with 0.26 wt % sulfuric acid for 30 min, resulting in substantial removal of hemicellulose and acid-soluble lignin. AHDH of these preconditioned solids produced biochar that did not adhere to reactor surfaces. TGA analysis confirmed that the chemical preconditioning step minimized interactions between hemicellulose-derived degradation products and lignin side chains, reducing sticky char formation. Additionally, the study observed a 6% higher yield of organic acids from softwood species compared to hardwoods, with bark content shown to negatively impact yield. These findings suggest that targeted preconditioning of lignocellulosic biomass can enhance reactor operability and improve organic acid production efficiency in AHDH processes.

biopolymers↗

Envision Charlotte Project Final Report

The Envision Charlotte Project (EC Project), supported by partners at the Center for Climate and Energy Solutions, the University of North Carolina at Charlotte’s Center for Sustainably Integrated Buildings and Sites and the City of Charlotte, has successfully demonstrated that existing buildings can benefit from operations improvements and low-cost efficiency upgrades, and that behavioral change campaigns can be effectively designed for measurability, longevity and impact. Support from this grant gave Envision Charlotte and its partners the resources and flexibility to demonstrate a variety of approaches to improve coordination with stakeholders in the implementation of programs to reduce the consumption of energy, water and waste. The project team also gained insights into the motivations and abilities that influence stakeholder engagement in sustainability initiatives at multiple levels. Importantly, as this report describes, strong partnerships between nonprofits, industry partners and research institutions can produce tangible impacts and replicable results in building efficiency. Further, building operators working alongside student researchers can form productive relationships that can advance building energy management goals. Key Findings of the EC Project This project focused on advancing solutions to energy efficiency in U.S. commercial buildings. The Building Re-Tuning™ Training (BRT) developed by the U.S. DOE’s Pacific Northwest National Lab (PNNL), designed to detect energy savings opportunities and implement improvements with resources and online tools, provided the starting point for the curriculum developed by stakeholders in the EC Project. Although the project partners encountered some issues with data consistency, the overall project outcomes fell short of the energy savings stated in the original proposal, and the total participating building targets were lower than anticipated, important findings, outcomes and lessons learned were achieved. EC Project grantees observed that the PNNL BRT, as currently written, was not compatible with the skills of average frontline mechanical personnel in the Charlotte region where the grant program was performed. Frontline staff are not, typically, energy managers, engineers or building commissioning agents, but they can play a key role in building performance. As detailed in this report, the grantees therefore focused on changes to the BRT that improved the level of training and competency of the frontline workers in this region. Among the technical observations related to improving the BRT that were observed in the EC Project: centralized facilities management often has an impact on building performance; operators can be overly reliant on service contracts; individual behaviors matter, and technology cannot be viewed as a crutch; current Building Automation Systems (BAS) are often too complex to support building efficiency optimization, but BAS coupled with appropriate training can support better outcomes; the “perfectly optimized” building is not a near-term possibility, but better education, especially of executives and managers, on the role of behavioral intervention is a promising direction the building science community can and should pursue; a lack of standards and protocols, and competition between proprietary software from service contracts, remain challenges for this industry. These technical observations, in turn, informed the EC Project’s overall findings, which were: Accomplishing building efficiency is a process of education for all involved in the building design, construction and operation supply chain. Building operators, as a professional class, have an opportunity for further training and education that will lead to better on-the-job performance. An updated Building Re-Tuning™ Training curriculum, based on the findings of this report, could be an avenue for these operators’ professional development.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Modular Hybrid Plasma Reactor for Low Cost Bulk Production of Nanomaterials

INL developed a bench scale modular hybrid plasma system for gas phase nanomaterials synthesis. The system was being optimized for WO 3 nanoparticles production and scale model projection to a 300 kW pilot system. During the course of technology development many modifications had been done to the system to resolve technical issues that had surfaced and also to improve the performance. All project tasks had been completed except 2 optimization subtasks. These 2 subtasks, a 4-hour and an 8-hour continuous powder production runs at 1 lb/hr powder feeding rate, were unable to complete due to technical issues developed with the reactor system. The 4-hour run had been attempted twice and both times the run was terminated prematurely. The modular electrode for the plasma system was significantly redesigned to address the technical issues. Fabrication of the redesigned modular electrodes and additional components had been completed at the end of the project life. However, not enough resource was available to perform tests to evaluate the performance of the new modifications. More development work would be needed to resolve these problems prior to scaling. The technology demonstrated a surprising capability of synthesizing a single phase of meta-stable δ-Al 2 O 3 from pure α-phase large Al 2 O 3 powder. The formation of δ-Al 2 O 3 was surprising because this phase is meta-stable and only formed between 973-1073 K, and δ-Al 2 O 3 is very difficult to synthesize as a single phase. Besides the specific temperature window to form this phase, this meta-stable phase may have been stabilized by nanoparticle size formed in a high temperature plasma process. This technology may possess the capability to produce unusual meta-stable nanophase materials that would be otherwise difficult to produce by conventional methods. A 300 kW INL modular hybrid plasma pilot scale model reactor had been projected using the experimental data from PPG Industries 300 kW hot wall plasma reactor. The projected size of the INL 300 kW pilot model reactor would be about 15% that of the PPG 300 kW hot wall plasma reactor. Including the safety net factor the projected INL pilot reactor size would be 25-30% of the PPG 300 kW hot wall plasma pilot reactor. Due to the modularity of the INL plasma reactor and the energy cascading effect from the upstream plasma to the downstream plasma the energy utilization is more efficient in material processing. It is envisioning that the material through put range for the INL pilot reactor would be comparable to the PPG 300 kW pilot reactor but the energy consumption would be lower. The INL hybrid plasma technology is rather close to being optimized for scaling to a pilot system. More near term development work is still needed to complete the process optimization before pilot scaling.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Dynamic mode decomposition with core sketch

With the increase in collected data volumes, either from experimental measurements or high fidelity simulations, there is an ever-growing need to develop computationally efficient tools to process, analyze, and interpret these datasets. Modal analysis techniques have gained great interest due to their ability to identify patterns in the data and extract valuable information about the system being considered. Dynamic mode decomposition (DMD) relies on elements of the Koopman approximation theory to compute a set of modes, each associated with a fixed oscillation frequency and a decay/growth rate. Extracting these details from large datasets can be computationally expensive due to the need to implement singular value decomposition of the input data matrix. Sketching algorithms have become popular in numerical linear algebra where statistical theoretic approaches are utilized to reduce the cost of major operations. A sketch of a matrix is another matrix, which is significantly smaller, but still sufficiently approximates the original system. We put forth an efficient DMD framework, SketchyDMD, based on a core sketching algorithm that captures information about the range and corange (their mutual relationship) of input data. The proposed sketching-based framework can accelerate various portions of the DMD routines, compared to classical methods that operate directly on the raw input data. We conduct numerical experiments using the spherical shallow water equations as a prototypical model in the context of geophysical flows. In conclusion, we show that the proposed SketchyDMD is superior to existing randomized DMD methods that are based on capturing only the range of the input data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Confinement effects on the solar thermal heating process of TiN nanoparticle solutions

We propose a theoretical approach to describe quantitatively the heating process in aqueous solutions of dispersed TiN nanoparticles under solar illumination. The temperature gradients of the solution with different concentrations of the TiN nanoparticles are calculated when confinement effects of the container on the solar absorption are taken into account. We find that the average penetration of solar radiation into the solution is significantly reduced upon increasing the nanoparticle concentration. At high concentrations, our numerical results show that photons are localized near the surface of the solution. Moreover, the heat energy balance equation at the vapor–liquid interface is used to describe the solar steam generation. The theoretical time dependence of temperature rise and vaporization weight losses is consistent with experiments. Our calculations give strong evidence that the substantially localized heating near the vapor–liquid interface is the main reason for the more efficient steam generation process by floating plasmonic membranes when compared to randomly dispersed nanoparticles. The validated theoretical model suggests that our approach can be applied towards new predictions and other experimental data descriptions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Physics and technology considerations for the deuterium–tritium fuel cycle and conditions for tritium fuel self sufficiency

The tritium aspects of the DT fuel cycle embody some of the most challenging feasibility and attractiveness issues in the development of fusion systems. The review and analyses in this paper provide important information to understand and quantify these challenges and to define the phase space of plasma physics and fusion technology parameters and features that must guide a serious R&D in the world fusion program. We focus in particular on components, issues and R&D necessary to satisfy three 'principal requirements': (1) achieving tritium self-sufficiency within the fusion system, (2) providing a tritium inventory for the initial start-up of a fusion facility, and (3) managing the safety and biological hazards of tritium. A primary conclusion is that the physics and technology state-of-the-art will not enable DEMO and future power plants to satisfy these principal requirements. We quantify goals and define specific areas and ideas for physics and technology R&D to meet these requirements. A powerful fuel cycle dynamics model was developed to calculate time-dependent tritium inventories and flow rates in all parts and components of the fuel cycle for different ranges of parameters and physics and technology conditions. Dynamics modeling analyses show that the key parameters affecting tritium inventories, tritium start-up inventory, and tritium self-sufficiency are the tritium burn fraction in the plasma (f b ), fueling efficiency (η f ), processing time of plasma exhaust in the inner fuel cycle (t p ), reactor availability factor (AF), reserve time (tr) which determines the reserve tritium inventory needed in the storage system in order to keep the plant operational for time t r in case of any malfunction of any part of the tritium processing system, and the doubling time (t d ). Results show that η f f b > 2% and processing time of 1–4 h are required to achieve tritium self-sufficiency with reasonable confidence. For η f f b = 2% and processing time of 4 h, the tritium start-up inventory required for a 3 GW fusion reactor is ~11 kg, while it is <5 kg if η f f b = 5% and the processing time is 1 h. To achieve these stringent requirements, a serious R&D program in physics and technology is necessary. The EU-DEMO direct internal recycling concept that carries fuel directly from the plasma exhaust gas to the fueling systems without going through the isotope separation system reduces the overall processing time and tritium inventories and has positive effects on the required tritium breeding ratio (TBR R ). A significant finding is the strong dependence of tritium self-sufficiency on the reactor availability factor. Simulations show that tritium self-sufficiency is: impossible if AF < 10% for any η f f b , possible if AF > 30% and 1% ≤ η f f b ≤ 2%, and achievable with reasonable confidence if AF > 50% and η f f b > 2%. These results are of particular concern in light of the low availability factor predicted for the near-term plasma-based experimental facilities (e.g. FNSF, VNS, CTF), and can have repercussions on tritium economy in DEMO reactors as well, unless significant advancements in RAMI are made. There is a linear dependency between the tritium start-up inventory and the fusion power. The required tritium start-up inventory for a fusion facility of 100 MW fusion power is as small as 1 kg. Since fusion power plants will have large powers for better economics, it is important to maintain a 'reserve' tritium inventory in the tritium storage system to continue to fuel the plasma and avoid plant shutdown in case of malfunctions of some parts of the tritium processing lines. But our results show that a reserve time as short as 24 h leads to unacceptable reserve and start-up inventory requirements. Therefore, high reliability and fast maintainability of all components in the fuel cycle are necessary in order to avoid the need for storing reserve tritium inventory sufficient for continued fusion facility operation for more than a few hours. The physics aspects of plasma fueling, tritium burn fraction, and particle and power exhaust are highly interrelated and complex, and predictions for DEMO and power reactors are highly uncertain because of lack of experiments with burning plasma. Fueling by pellet injection on the high field side of tokamak has evolved to be the preferred method to fuel a burning plasma. Extrapolation from the DIII-D penetration scaling shows fueling efficiency expected in DEMO to be <25%, but such extrapolations are highly uncertain. The fueling efficiency of gas in a reactor relevant regime is expected to be extremely poor and not very useful for getting tritium into the core plasma efficiently. Gas fueling will nonetheless be useful for feedback control of the divertor operating parameters. Extensive modeling has been carried out to predict burn fraction, fueling requirements, and fueling efficiency for ITER, DEMO, and beyond. The fueling rate required to operate Q = 10 ITER plasmas in order to provide the required core fueling, helium exhaust and radiative divertor plasma conditions for acceptable divertor power loads was calculated. If this fueling is performed with a 50–50 DT mix, the tritium burn fraction in ITER would be ~0.36%, which is too low to satisfy the self-sufficiency conditions derived from the dynamics modeling for fusion reactors. Extrapolation to DEMO using this approach would also yield similarly low burn fraction. Extensive analysis presented shows that specific features of edge neutral dynamics in ITER and fusion reactors, which are different from present experiments, open possibilities for optimization of tritium fueling and thus to improve the burn fraction. Using only tritium in pellet fueling of the plasma core, and only deuterium for edge density, divertor power load and ELM control results in significant increase of the burn fraction to 1.8–3.6%. These estimates are performed with physics models whose results cannot be fully validated for ITER and DEMO plasma conditions since these cannot be achieved in present tokamak experiments. Thus, several uncertainties remain regarding particle transport and scenario requirements in ITER and DEMO. The safety standard requirements for protection of the public and release guidelines for tritium have been reviewed. General safety approaches including minimizing tritium inventories, reducing tritium permeation through materials, and decontaminating material for waste disposal have been suggested.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Comprehensive analysis of technical efficiency of business establishments in Santa Barbara County: Evaluation of spatial and aspatial stochastic frontier models

One of the main objectives of land-use and transport models is to accurately describe the organization and composition of the regional economy. However, these models currently lack the integration of competitiveness and performance of the regional economy, which in-turn is dependent on performance and efficiency of business establishments in the region. In this study, we present a framework that integrates the aspects of economic efficiency of business establishments within the context of land-use and transport models. For this purpose, we comprehensively assess the impacts of both internal and external attributes of business establishment on its efficiency. In this process, we specifically focus on aspects of incorporating locational characteristics using two frameworks - (a) measuring locational attributes using link-based multiple centrality indicators (L-MCI) and (b) measuring neighborhood effects of business establishments through spatial proximity that account for co-location and competition. We make use of the stochastic frontier modeling framework to investigate the factors impacting business establishment-level output measured as sales per unit area. Specifically, the aspatial stochastic frontier (ASF) model incorporates L-MCI measures as covariates and the spatial stochastic frontier (SSF) model incorporates neighborhood effects of business establishments through network distance measured using the roadway network for Santa Barbara County.Overall, the empirical results suggest that there exist significant inefficiencies across all business establishment types that are mainly impacted by internal attributes of the business. For example, larger and older business establishments are more efficient than business establishments that are smaller in size and younger in age. Furthermore, the results also suggest that locational impacts are better captured using the ASF specification when compared with SSF specification. For instance, the spatial correlation estimate (from SSF) although statistically significant, is very weak. Thereby, indicating a lack of spatial structure in technical efficiency of businesses manifested in the form of co-location and competition. In contrast, the ASF model captures spatial structure of technical efficiency thoroughly with inclusion of the L-MCI measures. This indicates that L-MCI measures have varying levels of impact on efficiency (positive or negative) depending on its relative location in the region. For instance, retail trade businesses have higher levels of revenue (or sales per unit area) when located along links in a grid-network like structure e.g. downtown areas. Additionally, businesses in professional services have no impact on their efficiency based on the configuration and structure of the regional transportation network. However, results from both specifications indicate that there exist major benefits on efficiency of business establishments from local competition for retail trade and healthcare services.

Ravulaparthy, Srinath↗

A green degumming approach for lignocellulosic kenaf bast using ethanolamine deep eutectic solvent

Traditional chemical degumming methods for lignocellulosic bast fibers pose substantial challenges, especially when dealing with kenaf bast, which has a high lignin content. Here, these challenges include severe pollution and low efficiency, etc. Therefore, this study developed a novel, green, and efficient degumming approach for lignocellulosic kenaf bast, leveraging choline chloride-ethanolamine (ChCl-ETA) alkaline deep eutectic solvent (DES). The efficacy of the ChCl-ETA DES based degumming method was validated through comprehensive chemical composition analysis, scanning electron microscopy (SEM), Fourier transform infrared (FT-IR) spectroscopy, X-ray diffraction (XRD), thermogravimetric analysis (TG), and two-dimensional (2D) nuclear magnetic resonance (NMR) spectroscopy. Subsequently, the optimal degumming conditions, with a choline chloride to ethanolamine ratio of 1:6 and a degumming temperature of 120 °C, were determined based on the results of the residual gum content. Significantly, the recycled ChCl-ETA DES mixtures could maintain a degumming capacity (revealed by the residual gum content of degummed fibers) comparable to that of the conventional double-boiling method for at least five degumming cycles without purification. Given its low-pollution process and high efficiency, this developed method holds great potential for industrial-scale applications of lignocellulosic bast fibers.

Choline chloride↗

Hydroxide melt induced corrosion of Ni at elevated temperatures under steam electrolysis conditions

Molten alkali electrolyte based high temperature water electrolysis (HTWE) process offers an efficient pathway to integrate renewable energy resources for large scale and economic hydrogen production. Long term and stable operation of these systems require an in-depth understanding of materials stability under anodic and cathodic exposure conditions of the cell and cell stacks. In the present study, we report our findings on the corrosion of Ni in the presence and absence of (LieNa) hydroxide melt at 600 °C under oxidizing and reducing conditions representative of HTWE. While the Ni electrode was found to remain thermodynamically stable in metallic form under cathodic (reducing) exposure conditions, the corrosion rate in molten hydroxide under oxidizing conditions was found to be nonparabolic in nature. A cyclic voltammetry study provides the breakdown of the passive metal-oxide surface layer at the anodic overpotential region between 0.45 V and 2 V in molten hydroxide under oxidizing conditions. As a result, a thermochemical process for accelerated corrosion based on the oxide scale fluxing in hydroxide melt has been developed.

08 HYDROGEN↗