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Navigation Doppler Lidar Signal Processing Architecture and Algorithms

A coherent Doppler lidar has been developed to address the need for a high-performance, compact, and cost-effective velocity and altitude sensor onboard landing vehicles. One of the core subsystems within NDL is its signal processing architecture. The primary function of this subsystem is to digitize the analog output of the homodyned signal received from the photo-diode associated with each telescope, process this signal in the frequency domain, and then turn this information into velocity and range measurements. A secondary function of this subsystem is to setup and control the internal components within NDL and to enable the instrument to interface with external systems by receiving commands, sending telemetry, and synchronizing its measurements with external clocks and pulses. This paper will give an overview of the signal processing architecture within NDL. This will include a discussion on its fundamental processing components and the core signal processing algorithms. Command, telemetry and internal component controls will also be discussed as will how the signal processing architecture has also evolved over the years of development. We will discuss provisions for robust operation including Triple-Mode Redundancy (TMR) within NDL’s Field Programmable Gate Array (FPGA) and storage elements, a fault-tolerant boot process, and Error Detection and Correction (EDAC) on the Static Random-Access Memories (SRAMs). Finally, we conclude this paper with how this architecture could continue to evolve.

Doppler Lidar↗

DOE OSTI2012

Active Flash: Performance-Energy Tradeoffs for Out-of-Core Processing on Non-Volatile Memory Devices

In this abstract, we study the performance and energy tradeoffs involved in migrating data analysis into the flash device, a process we refer to as Active Flash. The Active Flash paradigm is similar to 'active disks', which has received considerable attention. Active Flash allows us to move processing closer to data, thereby minimizing data movement costs and reducing power consumption. It enables true out-of-core computation. The conventional definition of out-of-core solvers refers to an approach to process data that is too large to fit in the main memory and, consequently, requires access to disk. However, in Active Flash, processing outside the host CPU literally frees the core and achieves real 'out-of-core' analysis. Moving analysis to data has long been desirable, not just at this level, but at all levels of the system hierarchy. However, this requires a detailed study on the tradeoffs involved in achieving analysis turnaround under an acceptable energy envelope. To this end, we first need to evaluate if there is enough computing power on the flash device to warrant such an exploration. Flash processors require decent computing power to run the internal logic pertaining to the Flash Translation Layer (FTL), which is responsible for operations such as address translation, garbage collection (GC) and wear-leveling. Modern SSDs are composed of multiple packages and several flash chips within a package. The packages are connected using multiple I/O channels to offer high I/O bandwidth. SSD computing power is also expected to be high enough to exploit such inherent internal parallelism within the drive to increase the bandwidth and to handle fast I/O requests. More recently, SSD devices are being equipped with powerful processing units and are even embedded with multicore CPUs (e.g. ARM Cortex-A9 embedded processor is advertised to reach 2GHz frequency and deliver 5000 DMIPS; OCZ RevoDrive X2 SSD has 4 SandForce controllers, each with 780MHz max frequency Tensilica core). Efforts that take advantage of the available computing cycles on the processors on SSDs to run auxiliary tasks other than actual I/O requests are beginning to emerge. Kim et al. investigate database scan operations in the context of processing on the SSDs, and propose dedicated hardware logic to speed up scans. Also, cluster architectures have been explored, which consist of low-power embedded CPUs coupled with small local flash to achieve fast, parallel access to data. Processor utilization on SSD is highly dependent on workloads and, therefore, they can be idle during periods with no I/O accesses. We propose to use the available processing capability on the SSD to run tasks that can be offloaded from the host. This paper makes the following contributions: (1) We have investigated Active Flash and its potential to optimize the total energy cost, including power consumption on the host and the flash device; (2) We have developed analytical models to analyze the performance-energy tradeoffs for Active Flash, by treating the SSD as a blackbox, this is particularly valuable due to the proprietary nature of the SSD internal hardware; and (3) We have enhanced a well-known SSD simulator (from MSR) to implement 'on-the-fly' data compression using Active Flash. Our results provide a window into striking a balance between energy consumption and application performance.

42 ENGINEERING↗

DOE OSTI2011

Modeling and optimization of a modified claus process as part of an integrted gasification combined cycle (IGCC) power plant with CO2 capture

The modified Claus process is one of the most common technologies for sulfur recovery from acid gas streams. Important design criteria for the Claus unit, when part of an Integrated Gasification Combined Cycle (IGCC) power plant, are the ability to destroy ammonia completely and recover sulfur thoroughly from a relatively low purity acid gas stream without sacrificing flame stability. Due to these criteria, modifications are often required to the conventional process, resulting in a modified Claus process. For the studies discussed here, these modifications include the use of a 95% pure oxygen stream as the oxidant, a split flow configuration, and the preheating of the feeds with the intermediate pressure steam generated in the waste heat boiler (WHB). In the future, for IGCC plants with CO2 capture, the Claus unit must satisfy emission standards without sacrificing the plant efficiency in the face of typical disturbances of an IGCC plant such as rapid change in the feed flowrates due to load-following and wide changes in the feed composition because of changes in the coal feed to the gasifier. The Claus unit should be adequately designed and efficiently operated to satisfy these objectives. Even though the Claus process has been commercialized for decades, most papers concerned with the modeling of the Claus process treat the key reactions as equilibrium reactions. Such models are validated by manipulating the temperature approach to equilibrium for a set of steady-state operating data, but are of limited use for dynamic studies. One of the objectives of this study is to develop a model that can be used for dynamic studies. In a Claus process, especially in the furnace and the WHB, many reactions may take place. In this work, a set of linearly independent reactions has been identified and kinetic models of the furnace flame and anoxic zones, WHB, and catalytic reactors have been developed. To facilitate the modeling of the Claus furnace, a four-stage method was devised so as to determine which set of linearly independent reactions would best describe the product distributions from available plant data. Various approaches are taken to derive the kinetic rate expressions which are either missing in the open literature or found to be inconsistent. A set of plant data is used for optimal estimation of the kinetic parameters. The final model agrees well with the published plant data. Using the developed kinetics models of the Claus reaction furnace, WHB, and catalytic stages, two optimization studies are carried out. The first study shows that there exists an optimal steam pressure generated in the WHB that balances hydrogen yield, oxygen demand, and power generation. In the second study, it is shown that an optimal H2S/SO2 ratio exists that balances single-pass conversion, hydrogen yield, oxygen demand, and power generation. In addition, an operability study has been carried out to examine the operating envelope in which both H2S/SO2 ratio and adiabatic flame temperature can be controlled in the face of disturbances typical for the operation of an IGCC power plant with CO2 capture. Impact of CO2 capture on the Claus process has also been discussed.

08 HYDROGEN↗

DOE OSTI2018

Air Pollutant Emissions and Regulatory Implications of a Biorefinery Co-Processing Bio-Oil in a Petroleum Refinery: Preprint

Pyrolysis oil, often referred to as bio-oil when derived from biomass through a fast pyrolysis process, has attracted considerable attention because of the high carbonaceous matter and high heating value compared to the original biomass. Pyrolysis oil provides a viable link between the agriculture/forestry and (petro-) chemical industry. Utilizing existing fossil fuel infrastructure by introducing bio-oil in petroleum refineries to produce renewable hydrocarbon fuels (i.e., repurposing existing assets) is appealing due to its relatively low capital requirement. Our analysis examined the air pollutant emissions for a biorefinery utilizing an ex situ catalytic fast pyrolysis process to produce raw bio-oil, with a design capacity of 2,000 dry metric tons of biomass per day. Such a biorefinery is capable of providing sufficient bio-oil to a 4,200 barrels per day capacity of fluidized catalytic cracking unit if the bio-oil is co-processed at 5% (by volume) feed rate. This research is focused on understanding the potential air pollutant regulatory and permitting implications for a refinery co-processing 5% bio-oil with 95% vacuum gas oil in a fluidized catalytic cracking unit for two scenarios: the first case assumes that an ex situ biorefinery is collocated with a petroleum refinery, and the second one assumes that a petroleum refinery will receive bio-oil from a stand-alone biorefinery. We estimated the potential-to-emit values for 4 biorefinery and FCC sizes and assessed technically feasible emission control options that could help to avoid being subject to prevention of significant deterioration requirements due to petroleum refinery modifications to co-process bio-oil. This research fills gaps and overcomes barriers related to air permitting requirements for co-processing bio-oil in existing refineries for various stakeholders. The insights gained from this analysis can facilitate decision making and help expedite permitting processes for petroleum refineries, which seek opportunities to produce lower carbon fuels in their existing infrastructure.

09 BIOMASS FUELS↗

DOE OSTI2019

Air Pollutant Emissions and Regulatory Implications of a Biorefinery Co-Processing Bio-Oil in a Petroleum Refinery

09 BIOMASS FUELS↗

DOE OSTI2013

Chemical System Decontamination at PWR Power Stations Biblis A and B by Advanced System Decontamination by Oxidizing Chemistry (ASDOC-D) Process Technology - 13081

For chemical decontamination of PWR primary systems the so called ASDOC-D process has been developed and qualified at the German PWR power station Biblis. In comparison to other chemical decontamination processes ASDOC-D offers a number of advantages: - ASDOC-D does not require separate process equipment but is completely operated and controlled by the nuclear site installations. Feeding of chemical concentrates into the primary system is done by means of the site's dosing systems. Process control is performed by standard site instrumentation and analytics. - ASDOC-D safely prevents any formation and precipitation of insoluble constituents - Since ASDOC-D is operated without external equipment there is no need for installation of such equipment in high radioactive radiation surrounding. The radioactive exposure rate during process implementation and process performance may therefore be neglected in comparison to other chemical decontamination processes. - ASDOC-D does not require auxiliary hose connections which usually bear high leakage risk. The above mentioned technical advantages of ASDOC-D together with its cost-effectiveness gave rise to Biblis Power station to agree on testing ASDOC-D at the volume control system of PWR Biblis unit A. By involving the licensing authorities as well as expert examiners into this test ASDOC-D received the official qualification for primary system decontamination in German PWR. As a main outcome of the achieved results NIS received contracts for full primary system decontamination of both units Biblis A and B (each 1.200 MW) by end of 2012. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Using GIS for Processing, Analysis and Visualization of Hydrological Model Data - 16202

The Applied Research Center at Florida International University (ARC-FIU) is supporting the soil and groundwater remediation efforts of the U.S. Department of Energy's (DOE's) Savannah River Site (SRS) by developing a surface water model to simulate the hydrology and the fate and transport of contaminants and sediment in the Tims Branch watershed. Advances in ArcGIS software through the development of spatial GIS database (geo-database) technology, coupled with the development of data models such as ArcHydro which possesses a spatial relational database management system (RDMS) schema and relationship structure specific to hydrologic systems, provides modelers with tools and applications to assist in the processing, analysis and visualization of flow and contaminant transport data. In addition, the coupling of this type of geo-database structure with a numerical modeling package such as MIKE SHE/MIKE 11 can serve as an efficient tool that significantly reduces the time needed for data preparation. The MIKE modeling system has a geographic information systems (GIS) user interface built into its system that can directly use GIS data for model inputs. GIS-based hydrologic models can provide a spatial element that other hydrologic models lack. GIS is important for processing and analysis of large spatio-temporal datasets derived from multiple sources that are being used for setting up of models, model calibration and simulation of flow and contaminant fate and transport. GIS-based approaches in hydrological modeling can also provide the benefit of combining different layers of geographic data to create new integrated information which can be quite useful for creating dependent or independent hydrological variables. ARC-FIU has developed an ArcGIS geo-database to support the hydrological modeling work being conducted at SRS. The SRS geo-database was developed based on the ArcHydro and ArcGIS Base Map data models with modifications made for project specific input parameters. The significance of this approach was to ensure its replicability for potential application at other DOE sites. The SRS geo-database assists in the storage and management of GIS and time series data being used for hydrological model development at Savannah River Site. Other GIS tools such as ArcGIS Model Builder coupled with Python scripting have enabled the automation of many of the repetitive geo-processing tasks required for pre- and post-processing of the hydrological modeling data. Automation of many of the data processing tasks has facilitated faster and hence more complex analyses of field test data. The toolbox created is also a scalable and reusable application that can be implemented in other watersheds. This paper describes the use of ArcGIS tools for the pre-processing, spatial delineation and analysis of hydrological model data; for automation of repetitive geo-processing tasks; and for visualization of different hydrological components of the Tims Branch watershed. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Development of New Antifoam for High Level Waste Processing in DWPF

During processing in the Defense Waste Processing Facility (DWPF), the evaporation of sludge leads to large amounts of foaming. This foaming can cause a foam-over, which contaminates other parts of the facility, most importantly the condensate. Currently, the antifoam being used is not sufficient at more extreme pH values and relatively high concentrations are required to minimize foaming. This means that a foam-over is more likely in parts of the process where the pH moves away from the neutral point and antifoam is needed in large quantities to prevent such occurrences. Adding this antifoam can also double processing time. The current antifoam also degrades into flammable byproducts, which creates a hazard in the processing. There are two main ideas proposed in order to solve the problems with the current antifoam: A new antifoam; A mechanical solution (sprays, agitator, etc). The focus of this summer was to develop a new antifoam that works across a broader range of pH values, can be added in lower concentrations, and does not degrade into flammable byproducts. This solution was pursued by obtaining different superspreaders and antifoams from companies across the country in order to perform a series of tests on them; these tests include superspreader testing, Foamscan testing, boiling testing, and Sludge Receipt and Adjustment Tank (SRAT) and Slurry Mix Evaporator (SME) process testing. To begin testing, four different superspreaders were tested on their ability to spread. The four superspreaders include: Y-17112, Y-17309, Antifoam 747 (the old antifoam), and Silwet L77 (the main component in Antifoam 747). These superspreaders were tested across a range of pH values and concentrations from 100 ppm to 5000 ppm. After completion of the tests, the results indicated that Y-17112 spread across a wider pH range than the others, even at lower concentrations. This is ideal for developing a new antifoam, as the pH throughout processing in DWPF varies and the lower the necessary concentration, the less antifoam that must be added per cycle. In order to test whether or not the superspreaders work as an antifoam, they have to be tested on real foam. In order to test this, a foamy simulant similar to the foaminess of the sludge in DWPF needed to be developed. This required testing many different sludges and designing our own simulant with different concentrations of insoluble solids. Eventually, a simulant similar enough to what is seen in DWPF was identified. Each superspreader will be tested on the simulant at different pH values and at different concentrations. The simulant will be allowed to foam and small amounts of the superspreader will be added while the Foamscan software tracks the height of the foam column; this allows us to know if the superspreader decreased the foam or not. Next, boiling testing in the Foamscan will be completed. This is testing identical to the Foamscan testing at room temperature, only at boiling conditions similar to DWPF. After boiling testing, the superspreader that is deemed most successful will be tested in a real, scaled-down SRAT/SME cycle. This will ensure it works with all the real chemicals that are added in DWPF and that it will remain successful in all the conditions that it may face. After the SRAT/SME testing, a decision will be made on whether or not the superspreader is successful and it may or may not be chosen as the new antifoam for DWPF.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Qualification of Processing Batches for Tank Closure Cesium Removal Through In-Tank Batch Contact Testing - 20470

The Tank Closure Cesium Removal (TCCR) process at the Savannah River Site (SRS) is currently processing waste from Tank 10H, generating decontaminated salt solution that is sent to Tank 11H. Transfers out of Tank 11H are then disposed of on site as a grout wasteform in the SRS Saltstone Processing Facility. This is a full-scale demonstration of the use of Crystalline Silicotitanate (CST) for the decontamination of aqueous nuclear waste supernate. CST primarily removes cesium from the high sodium alkaline feed, but also adsorbs strontium, actinides, and some other trace metals. The TCCR unit is an at-tank set of four ion exchange columns, with two typically being operated in series during waste processing. Tank 10H is serving a dual function as both the salt dissolution tank as well as the feed tank for the TCCR system. Prior to operation of TCCR, Tank 10H must undergo dissolution campaigns, dissolving the salt cake to form an aqueous salt solution (supernate). After each dissolution campaign, the supernate created must be qualified prior to processing through the TCCR system. Qualification includes detailed characterization of the supernate as well as in-tank batch contact tests to determine the equilibrium loading of Cs-137 on the CST ion exchange media (IONSIV{sup TM} R9120-Ba). In support of the in-tank batch contact testing, Savannah River National Laboratory (SRNL) developed a CST sample holder, also referred to as a 'tea-bag', to hold a measured amount (∼0.1 grams) of pretreated CST between stainless steel screens. The tea-bag fits within a standard stainless steel sample vial that has been modified to allow the flow of supernate to the CST. This sample holder is then immersed in the waste tank allowing free contact between the CST beads and the surrounding liquid, at an effectively infinite liquid-to-solid phase ratio. A pair of tea-bags are deployed in the tank for a period of 10 days for each batch, after which the CST is recovered, digested, and analyzed to determine the loading of cesium isotopes on the CST. This result then supports the TCCR column thermal loading limits for processing as part of the TCCR safety basis. This paper will discuss the design and testing of the CST sample holder, as well as results from the first few batches of waste qualified and subsequently processed through the TCCR system. In addition, results from analyses of Tank 11H samples, showing decontamination of the product will be included. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Impacts of processing decisions on TNSL cross sections and their applications

Thermal neutron scattering law (TNSL) data describe low-energy neutrons scattering off of bound materials, and can have a significant impact on modeling any system with slow neutrons, including nuclear reactors. Previous work to introduce TNSL data to neutron transport codes at LLNL focused on COG and TART, with the limitation that these codes require highly specialized data processing and formatting. We have recently increased efforts to process TNSL data with the LLNL nuclear data processing code FUDGE. FUDGE reads and writes the evaluated and processed files using the generalized nuclear database structure (GNDS). This process uncovered some significant difficulties in processing TNSL data, and unearthed assumptions made in current TNSL data processing that we have found inadequate. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Digitalization mapping and assessment process supporting ION strategic transformation activities

The existing fleet of commercial nuclear power plants (NPPs) are an important asset in the nation’s portfolio of electrical generating resources. Their continued safe and reliable operation are critical to providing a large source of carbon-free electricity to power the nation’s economy. The United States Department of Energy’s (DOE) Light Water Reactor Sustainability (LWRS) Program develops the scientific bases, methods, and tools, for the continued safe and economical operation of the nation's commercial NPPs. The Plant Modernization Pathway within LWRS Program focuses on providing guidance to industry on the full-scale implementation of modernization solutions for NPPs that significantly reduce the technical and financial risks associated with modernization. This research is focused on helping the nuclear industry understand how to digitize and digitalize their NPPs so that they can design their modernization solutions to be scalable, sustainable, and integrated both laterally and horizontally within their organization. That is, this research creates a digital transformation in NPPs by reshaping cultural mindsets and by identifying business efficiencies. In partnership with industry, and using four previously established guiding principles for digitalization, this research supported NPP modernization through assessing readiness for digitalization as a means to achieve integrated operations for nuclear. Specifically, this research created an assessment to review an entire organization’s work processes to gather information about the digitalization health of the plant. The assessment tools were administered to plant employees, and the results were used to develop a digitalization plan. The survey assessment identified the optimal candidate processes that would most benefit from a digitalization initiative which were revealed through analytical frameworks. One analysis calculated mean digitalization health indicator scores for all endorsed activities which allowed the researchers to rank and color code the results for easy identification. Individual health indicator scores are also provided, should our industry partner wish to understand these findings according to their own organizational priorities, business considerations and desired end-state. The results were also analyzed from the perspective that organizations are comprised of different types of innovators (e.g., generators, optimizers, conceptualizers, and implementers), which differentially affects the organization’s ability to comprehend and adapt to change (i.e., opportunities to innovate). Understanding the relative composition of innovator types at an NPP allows them to gather insights into the strengths and weaknesses they have in innovating how work is performed. For the utility that partnered with this research team, the results showed that implementers make up the largest portion of respondents and conceptualizers the smallest portion. Knowing the proportion of innovator types gave this organization insights on how they can effectively implement their innovation solutions. Additionally, the results were analyzed from a technical, economic, and risk perspective to identify and quantify work reduction opportunities (WROs). Recognizing that not all cost-saving opportunities are the same, a Technical, Economic and Risk Assessment (TERA) was performed to evaluate WROs to identify areas of greatest potential and lowest risk. The key results from TERA included a digitalization opportunity score for each activity, and a calculation of potential cost savings. These two outputs formed the bases for calculating a priority index and rank for the activities/processes assessed. From the prioritization calculations, TERA can then help the utility 1) decide what digitalization priorities to invest money in implementing and then 2) calculates how much should be invested in the digitalization initiatives selected to achieve cost savings and/or an acceptable return on investment. Last, onsite interviews revealed several inefficiencies in the standard work processes that occur cross-departmentally that are due to the absence of digitized and digitalized processes. Examples of these include time spent scanning paper documents and then uploading the documents electronically, obtaining signatures, and searching for desired information. This represents a digital but not digitalized process. Over 15 opportunities to improve work processes were identified through this multi-method digitalization assessment. The various analytical assessments used (e.g., TERA, digitalization health indicator scores), as well as discussions with the utility partner, corroborated that all the opportunities identified had a strong potential to make work processes more efficient and to improve overall performance of the NPP.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2014

Assessment of Controlling Processes for Field-Scale Uranium Reactive Transport under Highly Transient Flow Conditions

This paper presents the results of a comprehensive model-based analysis of a uranium tracer test conducted at the U.S Department of Energy Hanford 300 Area (300A) IFRC site. A three-dimensional multi-component reactive transport model was employed to assess the key factors and processes that control the field-scale uranium reactive transport. Taking into consideration of relevant physical and chemical processes, the selected conceptual/numerical model replicates the spatial and temporal variations of the observed U(VI) concentrations reasonably well in spite of the highly complex field conditions. A sensitivity analysis was performed to interrogate the relative importance of various processes and factors for reactive transport of U(VI) at the field-scale. The results indicate that multi-rate U(VI) sorption/desorption, U(VI) surface complexation reactions, and initial U(VI) concentrations were the most important processes and factors controlling U(VI) migration. On the other hand, cation exchange reactions, the choice of the surface complexation model, and dual-domain mass transfer processes, which were previously identified to be important in laboratory experiments, played less important roles under the field-scale experimental condition at the 300A site. However, the model simulations also revealed that the groundwater chemistry was relatively stable during the uranium tracer experiment and therefore presumably not dynamic enough to appropriately assess the effects of ion exchange reaction and the choice of surface complexation models on U(VI) sorption and desorption. Furthermore, it also showed that the field experimental duration (16 days) was not sufficiently long to precisely assess the role of a majority of the sorption sites that were accessed by slow kinetic processes within the dual domain model. The sensitivity analysis revealed the crucial role of the intraborehole flow that occurred within the long-screened monitoring wells and thus significantly affected both field-scale measurements and simulated U(VI) concentrations as a combined effect of aquifer heterogeneity and highly dynamic flow conditions. Overall, this study, which provides one of the few detailed and highly data-constrained uranium transport simulations, highlights the difference in controlling processes between laboratory and field scale that prevent a simple direct upscaling of laboratory-scale models.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2019

Temperature‐Dependent Aggregation Donor Polymers Enable Highly Efficient Sequentially Processed Organic Photovoltaics Without the Need of Orthogonal Solvents

Abstract The conventional method to prepare bulk‐heterojunction organic photovoltaics (OPVs) is a one‐step method from the blend solution of donor and acceptor materials, known as blend‐casting (BC). Recently, an alternative method was demonstrated to achieve high efficiencies (13%) comparable to state‐of‐the‐art BC devices. This two‐step‐coating method, known as “sequential processing,” (SqP) involves sequential deposition of the donor and then the acceptor from two orthogonal solvents. However, the requirement of orthogonal solvents to process the donor and acceptor constrains the choice of materials and processing solvents. In this paper, an improved version of SqP method without the need for using orthogonal solvents is reported. The success is based on donor polymers with strong temperature‐dependent aggregation properties whose solution can be processed at a high temperature, but the resulting film becomes completely insoluble at room temperature, which allows for the processing of overlying acceptors from a wide range of nonorthogonal solvents. With this approach, efficient SqP OPVs is demonstrated based on a range of donor/acceptor materials and processing solvents, and, in every single case, SqP OPVs can outperform their BC counterparts. The results broaden the solvent choices and open a much larger window to optimize the processing parameters of SqP method.

Arunagiri, Lingeswaran↗

DOE OSTI2023

Introducing a Phenyl End Group in the Inner Side Chains of A‐DA'D‐A Acceptors Enables High‐Efficiency Organic Solar Cells Processed with Nonhalogenated Solvent

Abstract Power conversion efficiency (PCE) of organic solar cells (OSCs) processed by nonhalogenated solvents is unsatisfactory due to the unfavorable morphology. Herein, two new small molecule acceptors (SMAs) Y6‐Ph and L8‐Ph are synthesized by introducing a phenyl end group in the inner side chains of the SMAs of Y6 and L8‐BO, respectively, for overcoming the excessive aggregation of SMAs in the long‐time film forming processed by nonhalogenated solvents. First, the effect of the film forming time on the aggregation property and photovoltaic performance of Y6, L8‐BO, Y6‐Ph, and L8‐Ph is studied by using the commonly used solvents: chloroform (CF) (rapid film forming process) and chlorobenzene (CB) (slow film forming process). It is found that Y6‐ and L8‐BO‐based OSCs exhibit a dramatic drop in PCE from CF‐ to CB‐processed devices owing to the large phase separation, while the Y6‐Ph and L8‐Ph based OSCs show obviously increased PCEs Furthermore, L8‐Ph‐based OSCs processed by nonhalogenated solvento‐xylene (o‐XY) achieved a high PCE of 18.40% with an FF of 80.11%. The results indicate that introducing a phenyl end group in the inner side chains is an effective strategy to modulate the morphology and improve the photovoltaic performance of the OSCs processed by nonhalogenated solvents.

Chemistry↗

DOE OSTI2019

Design standardization of unit operations for reducing the capital intensity and cost of small‐scale chemical processes

Abstract A methodology is proposed to reduce the cost and capital intensity of small‐scale chemical processes by creating new opportunities for economies of numbers through standardizing the equipment designs across multiple processes. We depart from asynchronous design of single‐processes and adopt a common‐functionality based simultaneous design of multiple processes that use similar unit operations. A generalized cost function is used to appropriately balance the trade‐offs between economies of scale and economies of numbers. An optimization‐based framework for design standardization is developed and illustrated using two case studies. The first involves the simultaneous synthesis of methanol and ammonia processes, and the second addresses the optimal synthesis of multi‐column natural gas liquid (NGL) fractionation processes for different natural gas sources. We observe that considerable reduction in capital intensity of small‐scale processes is possible through equipment standardization.

Arora, Akhil↗

DOE OSTI2023

First of Their Kind: Solar Cells with a Dry-Processed Perovskite Absorber Layer via Powder Aerosol Deposition and Hot-Pressing

Preparing halide perovskite films by solvent-free, powder-based processing approaches currently attracts more and more attention. However, working solar cells employing dry, powder-based halide perovskite thin films, have not been demonstrated so far. Herein, perovskite solar cells are presented where the absorber layer is prepared by transferring readily synthesized perovskite powders into a compact thin film using a fully dry-powder-processing concept. Compact thin films are deposited via an optimized powder aerosol deposition (PAD) process. Pressing at 120 °C further improves the morphology and the optoelectronic film properties. Integrating the perovskite films in a solar cell configuration results in fully working devices, with champion power conversion efficiencies of >6%. While the (optoelectronic) properties of the PAD-processed films are found to be comparable with their solution-processed counterparts, investigations of the solar cell stack suggest deterioration of the electron-transport layer properties due to the PAD process, and the presence of hydrates at the perovskite surface to be important factors that contribute to the limited solar cell efficiency. Herein, perspectives to overcome the identified limitations are outlined, emphasizing the high potential and realizability of efficient perovskite solar cells based on dry-powder-processing approaches in the future.

14 SOLAR ENERGY↗

DOE OSTI2024

Real-time evolution of texture and temperature during friction stir processing of a magnesium alloy: An operando neutron diffraction study

The real-time development of texture and the evolution of temperature during friction stir processing (FSP) of a Mg alloy were investigated using an operando neutron diffraction measurement. A novel approach was applied in this study where the real-time, quasi-steady state measurements performed as a function of position during FSP are converted to a Lagrangian dataset that reveals the transient behavior as a function of time. The in-situ FSP was carried out under two different thermo-mechanical processing conditions represented by the Zener-Hollomon parameter, Z. Further, the results show that: (i) a shear texture develops from the initial strong basal texture with the peak temperature reaching about 774 K during a low-Z processing and (ii) a strong off-normal texture develops with a peak temperature of 616 K during a high-Z processing. Moreover, time-temperature-texture diagrams were established to reveal the real-time development of the texture during the processing for both the low Z and high Z processing conditions. The changes in texture will be discussed in terms of plastic deformation mechanisms active during various stages of the FSP under the two different processing conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2012

Formation of low-dimensional crystalline nucleus region during insulin amyloidogenesis process

Highlights: Black-Right-Pointing-Pointer We observe lag-phase crystallization process in insulin. Black-Right-Pointing-Pointer The crystallization is a result of the formation of higher order oligomers. Black-Right-Pointing-Pointer The crystallization also changes the secondary structure of the protein. Black-Right-Pointing-Pointer The spectroscopic signature can be used for amyloid inhibitors assay. -- Abstract: Insulin, as other amyloid proteins, can form amyloid fibrils at certain conditions. The self-assembled aggregation process of insulin can result in a variety of conformations, starting from small oligomers, going through various types of protofibrils, and finishing with bundles of fibrils. One of the most common consensuses among the various self-assembly processes that are suggested in the literature is the formation of an early stage nucleus conformation. Here we present an additional insight for the self-assembly process of insulin. We show that at the early lag phase of the process (prior to fibril formation) the insulin monomers self-assemble into ordered nanostructures. The most notable feature of this early self-assembly process is the formation of nanocrystalline nucleus regions with a strongly bound electron-hole confinement, which also change the secondary structure of the protein. Each step in the self-assembly process is characterized by an optical spectroscopic signature, and possesses a narrow size distribution. By following the spectroscopic signature we can measure the potency of amyloid fibrils inhibitors already at the lag phase. We further demonstrate it by the use of epigallocatechin gallate, a known inhibitor for insulin fibrils. The findings can result in a spectroscopic-based application for the analysis of amyloid fibrils inhibitors.

60 APPLIED LIFE SCIENCES↗