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At least 55 records · Page 3

Biochemical Conversion of Lignocellulosic Biomass to Hydrocarbon Fuels and Products (2021 State of Technology and Future Research)

The annual State of Technology (SOT) assessment is an essential activity for biochemical platform research. It allows the impact of research progress to be quantified in terms of economic improvements in the overall cellulosic biofuel production process for a particular conversion pathway. As such, initial benchmarks can be established for currently demonstrated performance and progress can be tracked towards out-year goals to ultimately demonstrate cost-competitive cellulosic biofuel technology. The purpose of this report is to benchmark the latest experimental developments across a number of potential bioconversion pathways as quantified by modeled minimum fuel selling prices (MFSPs), as a measure of current status relative to those final targets. For this state of technology, TEA models were run for two separate biological conversion pathways to fuels, based on available data for integrated biomass deconstruction and hydrolysate processing; namely carboxylic acids (primarily butyric acid) and diols (2,3-butanediol [BDO]), reflecting NREL's recently-published 2018 biochemical design report focused on those two pathways. The models were run across three scenarios for lignin utilization, namely combustion, conversion to coproducts based on "base case" performance with biomass hydrolysate, and conversion to coproducts based on "high" performance demonstrated with model lignin monomer components. A key improvement reflected in the 2021 SOT is centered around making use of the latest lignin conversion data, which over the past year focused primarily on production of ß-ketoadipate (BKA) as a more optimal molecule compared to the closely-related adipic acid coproduct of prior recent focus, both in terms of superior product properties and biology, as well as reduced processing complexity (reducing two steps for sequential production of muconate followed by hydrogenation to adipic acid down to a single step for direct production of BKA). This update translated to a roughly 17% increase in mass yield of final coproduct output at a nearly four-fold increase in fermentation productivity on lignin monomers relative to prior 2020 SOT benchmarks for muconic/adipic acid production.

09 BIOMASS FUELS↗

Oscilloscope Data Push Program

This paper details the development of a Python program designed to automate the data acquisition and conversion for an oscilloscope for the purposes of a one-off/temporary data acquisition system for users that readily need data, and do not have the option of obtaining a Data Acquisition (DAQ) solution. Creating DAQ systems for analyzing a system requires expensive electronics and a dedicated team of engineers for support. Traditionally, manual data collection and processing are time consuming and prone to error. By automating these processes, the cost, efficiency and accuracy of data handling are improved upon. This project involves the creation of a program that interacts with the oscilloscope. During this interaction, there are various functions being performed such as the acquisition of waveform data via floating points, generating plots with the acquired wave points, and storing of floating points in a CSV file format for future reference and plotting purposes. While the initial aim of the project included continuous logging to a cloud database, this was deferred due to time constraints. The results portrayed an almost-instant rate of data collection with a buffer time, showcasing the potential for further integration and real-time data processing.

Osei-Tutu, Jason↗

The Perils of AI-Assisted Time Conversion Critical Errors in J2000 Time to UNIX/UTC Conversions Using AI Assistants (Technical Memorandum)

This memo addresses a critical issue encountered when using AI assistants for time system conversions, specifically converting data tagged with J2000 seconds through UNIX time to UTC. Initial AI responses to this common conversion task were fundamentally incorrect, with errors exceeding 37 seconds - enough to cause significant issues in many applications. This document demonstrates the problem, quantifies the error, and provides best practices for using AI tools safely in technical work. Both Claude 4.5 Sonnet and ChatGPT GPT-5.5 Thinking gave the same answer.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

High-Reliability Systems and the Control of National Security Data and Information

High-reliability systems are characterized by catastrophic implications in the event of failure. These implications can include substantive damage to the environment, social order, and loss of life. Examples of high-reliability systems include nuclear submarines, nuclear reactors, the electric grid, and nuclear weapons. Due to the catastrophic implications of failure, there are heightened awareness and control mechanisms surrounding related data and information. However, defining the difference between data and information is often ambiguous across scholarly disciplines and in United States policy and legislation. For high-reliability systems, the implications of ambiguity between data and information may affect the security of United States interests and even cost lives. For security, data are raw facts or figures without context, while information is the compilation or articulation of data that forms context. Security depends on clarity in the differences between data and information and how to control them. Control is necessary to ensure that data and information are not unintentionally released to foreign governments, the public, or those without need-to-know. A primary concern in the practice of security is the control of data to avoid the unintended conversion to information. Intra-institutionally, this control is highly complex given the amalgam of legacy data systems and the numerous and constantly evolving nature of modern data systems that were not necessarily designed to be integrated. The complexity of this concern is augmented when institutions are part of interinstitutional collaborations or networks of public-private partnerships that share data and information. Additionally, institutions that share data as a function of policy and legislative action— particularly formally integrated data and information system infrastructures—may be at higher security risk. This paper will present an intra-institutional paradigm that utilizes and integrates concepts from numerous disciplines to frame a critical and underspecified practical issue in security—controlling for the unintended conversion of data to information.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

High-Reliability Systems and the Control of National Security Data and Information

High-reliability systems are characterized by catastrophic implications in the event of failure. These implications can include substantive damage to the environment, social order, and loss of life. Examples of high-reliability systems include nuclear submarines, nuclear reactors, the electric grid, and nuclear weapons. Due to the catastrophic implications of failure, there are heightened awareness and control mechanisms surrounding related data and information. However, defining the difference between data and information is often ambiguous across scholarly disciplines and in United States policy and legislation. For high-reliability systems, the implications of ambiguity between data and information may affect the security of United States interests and even cost lives. For security, data are raw facts or figures without context, while information is the compilation or articulation of data that forms context. Security depends on clarity in the differences between data and information and how to control them. Control is necessary to ensure that data and information are not unintentionally released to foreign governments, the public, or those without need-to-know. A primary concern in the practice of security is the control of data to avoid the unintended conversion to information. Intra-institutionally, this control is highly complex given the amalgam of legacy data systems and the numerous and constantly evolving nature of modern data systems that were not necessarily designed to be integrated. The complexity of this concern is augmented when institutions are part of inter-institutional collaborations or networks of public-private partnerships that share data and information. Additionally, institutions that share data as a function of policy and legislative action—particularly formally integrated data and information system infrastructures—may be at higher security risk. This paper will present an intra-institutional paradigm that utilizes and integrates concepts from numerous disciplines to frame a critical and underspecified practical issue in security—controlling for the unintended conversion of data to information.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Production of 1,3-Butadiene from Renewable Oxygenated Feedstocks (Abstract)

Reproduce and ascertain additional experimental catalyst performance data for 1-step conversion of oxygenated feedstocks to butadiene. Experimental data will also be obtained for a 2-step processing configuration where we will tailor the PNNL catalyst originally developed for 1-step processing by tailoring the Lewis acidity and metal properties, with a limited number of experiments. We will measure preliminary catalyst performance results for producing Butadiene from the two oxygenated feedstocks. Additionally, we will produce 30 g of butadiene that will be sent to the client for use in producing polybutadiene. Finally, experimental results will inform techno-economic analysis (TEA) modeling. TEA will focus on identifying the most economically favorable processing route to BD from either oxygenated feedstock. We will also project GHG emissions associated with each of the process models being considered for BD production, and compare such results to GHG emissions when produced from conventional methods (e.g., cracking of naphtha) using values from the literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Particle Scale Impacts on Deconstruction Energy of Pine Residues

The goal of this Case Study was to quantify the impacts of variable moisture and ash on hammer mill throughput and energy consumption and on generation of fines that are not able to be fed to conversion, as compared to a status quo Base Case system. Also considered was convertible carbon content (minimum carbon specification) and maximum ash content and the delivered feedstock cost impacts of not being able to feed residue not meeting both specifications to the conversion reactor. Laboratory data on the impacts of input particle size and moisture content on the exit particle size were received from FCIC Subtask 5.2: Preprocessing, High Temperature Conversion Preprocessing from their single particle impact population balance modeling study (Tiasha Bhattacharjee, INL). Additional throughput and energy consumption data were obtained from FCIC Subtask 5.2 (Jordan Klinger, INL) for the same grinder with a 6 mm screen in place. These data were utilized to develop the necessary response surface equations to perform throughput analysis using discrete event simulation. Because the ash contents in the separated fines had not been analyzed in the laboratory at the time of the model runs, we chose to assume that the ash distributed proportionally with total mass into the overs and unders in the disk screen following grinding.

energy consumption↗

A Nuclear Security Enterprise Study of High-Reliability Systems, Collaboration, and Data

It may seem simple and trivial, but defining the difference between data and information is contested and has implications that may affect the security of United States interests and even cost lives. For security, data are raw facts or figures without context, while information is the compilation or articulation of data that forms context. Security depends on clarity in the differences between data and information and controlling them. Control is necessary to ensure that data and information are not inadvertently released to foreign governments, the public, or those without Need-to-Know. A primary concern in the practice of security is the control of data to avoid the inadvertent conversion to sensitive information. The complexity of this concern is further augmented when institutions are part of tightly coupled networks that informally share data and information. Additionally, those that share data as a function of legislative action—and/or formally integrate data and information system infrastructures—may be a higher security risk. This paper will present a case study that utilizes elements of literature from Knowledge Management and networks to tell a story of an issue in security—specifically, controlling the conversion of data to information.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Marine Algae Industrialization Consortium (MAGIC): Combining biofuel and high-value bioproducts to meet the RFS

The Marine Algae Industrialization Consortium (MAGIC) was formed to address pressing challenges in the commercialization of microalgae as a source of biofuel. The “Marine Algae Industrialization Consortium (MAGIC): Combining biofuel and high-value bioproducts to meet the RFS” project formally addressed two US Department of Energy Bioenergy Technologies Office (BETO) goals: (1) Model the sustainable supply of 1 million metric tonnes ash free dry weight (AFDW) cultivated algal biomass and (2) Demonstrate valuable co-products produced along with biofuel intermediates to increase value of algal biomass by 30%. To achieve these goals, the project demonstrated and validated high-value co-products to drive down the cost of biofuel by increasing the value of algae “co-products” towards increasing the selling price of total algae biomass as one of the key drivers of economics and adoption. This was accomplished through five core, interdependent tasks including: (1) strain selection to identify and deliver strains for mass culture, (2) mass culture using a hybrid cultivation system and following key operating parameters for downstream applications to provide algae feedstock, (3) recovery and conversion to evaluate two alternative methods to separate dry algae biomass into oil and residuals for downstream testing, (4) product assessment to determine biofuel, aquafeed or poultry feed product efficacy using algae biomass fractions as well as to provide critical performance data for valuation and (5) commercialization to use technoeconomic and life cycle assessments (TEA/LCA) as iterative design and assessment tools including consideration of target markets, competitors, and distribution channels to guide product assessment, development and valuation. A total of 46 peer-review publications, many open-access, provide detail of much of the work carried out and the results of the tasks. Additional reports and presentations provide other technical and public engagement material. At a high level, using a variety of approaches, more than 1000 marine microalgae strains were evaluated to ultimately identify the seven winners that were down-selected to be grown in mass culture. Strain selection demonstrated that there were no ‘super strains’ and that each candidate had strengths and limitations for specific products, growth conditions or operational considerations. Mass culture growth of these seven strains at >5000 L / 29 m 2 scale found that four them were suitable for product assessment. More than 250 kg of biomass was produced across hundreds of pond runs along with thousands of cultivation entries on the growth and biomass characteristics as well as environmental parameters. In the process, dozens of standard operating procedures were generated as was custom software to process and analyze cultivation data. Recovery and conversion of algae biomass demonstrated that a hexane solvent based extraction protocol was most effective at recovering oil (biocrude) from algae and four strains were processed to produce oil and lipid extracted algae (residuals) for downstream testing. Membrane-based oil separation was less successful, but may still be applicable to other commercial applications in the future. Product testing demonstrated that algae biocrude is of high quality and hydrotreating generated numerous fractions of high quality composition for fuel and lubricate based applications. Aquafeed studies performed at a variety of scales showed that both whole and defatted (lipid extracted algae) microalgae were suitable as a feed ingredient, but that the specifics of the fed animal and biochemical composition of the algae are critical factors when determining formulation. Similarly, poultry studies on whole and defatted microalgae generally showed positive outcomes on animal growth and health, with some microalgae providing enhanced nutritional composition of the animal product. Economic and life cycle assessments covered a wide range of possible commercialization and sustainability scenarios. Replacement value, improved product value added, consumer values marketing added valuation and improved animal health were considered as alternatives for microalgae valuation. Using the open pond system, algae productivity was identified as the key driver of commercialization economics, but combination of co-products (e.g. animal feed) with biofuel production substantially increased the total selling price of algae. Modeled microalgae selling price exceeded $\$$1500/tonne and could generate competitive biofuel selling prices below $\$$5 gallon gas equivalents using realistic algal productivities. Short (process scale) and longer (decadal trends) sustainability assessments show that marine microalgae can enhance the sustainability of energy production and lead to other realized benefits in water, fertilizer and land use for other sectors (e.g. agriculture). This project successfully demonstrated all of the components of an end-to-end process from mass microalgae cultivation and dewatering, to recovery and conversion of algae biomass components, to final product demonstration and process valuation; the combined results provide a framework for future commercialization of algae based biofuels.

09 BIOMASS FUELS↗

Particle scale impacts on deconstruction energy of pine residues

The goal of this Case Study was to quantify the impacts of variable moisture and ash on hammer mill throughput and energy consumption and on generation of fines that are not able to be fed to conversion, as compared to a status quo Base Case system. Also considered was convertible carbon content (minimum carbon specification) and maximum ash content and the delivered feedstock cost impacts of not being able to feed residue not meeting both specifications to the conversion reactor. Laboratory data on the impacts of input particle size and moisture content on the exit particle size were received from FCIC Subtask 5.2 from their single particle impact population balance modeling study. Additional throughput and energy consumption data were obtained from FCIC Subtask 5.2 for the same grinder with a 6 mm screen in place. These data were utilized to develop the necessary response surface equations to perform throughput analysis using discrete event simulation. Because the ash contents in the separated fines had not been analyzed in the laboratory at the time of the model runs, we chose to assume that the ash distributed proportionally with total mass into the overs and unders in the disk screen following grinding. Key takeaways from this Case Study are that it is significantly more cost effective to hammer mill the residue prior to drying, even though the grinder throughput is lower and energy consumption is higher versus drying first before grinding. An effect of dry grinding versus high moisture grinding is the production of higher amounts of fines during dry grinding, leading to significantly more of the ground feedstock being rejected by conversion for being below a minimum particle size. With wet grinding the system is still able to produce more preprocessed feedstock meeting the minimum particle size specification even though the instantaneous throughput is lower than for the case of grinding dry feedstock. Additionally, even without the higher fines production from dry grinding, the status quo would still be more costly than wet grinding because the material is rejected after the drying energy has already been input for the dry grinding case. Finally, significant reductions in drying energy are obtained by drying after grinding, and those reductions are of far greater magnitude than the grinding energy increase.

09 BIOMASS FUELS↗

The Delplot kinetic method applied to systems with adsorbates: Hydrodeoxygenation of benzofuran on a bimetallic CoPd phosphide catalyst supported on KUSY

The Delplot method provides a means of analyzing conversion and selectivity data to derive a reaction sequence and has been applied so far to gas-phase or liquid-phase species. This study analyses the applicability of the method for catalytic reactions and considers for the first time adsorbed intermediates. The method is applied to a contact time study of the hydrodeoxygenation (HDO) of benzofuran at 0.5 MPa and 350 °C over a catalyst consisting of bimetallic CoPd phosphide supported on a potassium ion-exchanged ultra-stable Y (KUSY) zeolite. Both simple and detailed reaction networks were derived. The simple networks considered only gas-phase species and were modeled by a first-order sequence of steps, whereas the detailed network took into account adsorbed intermediates and was simulated using a rake mechanism. The networks were compared using F-statistics, which accounted for the differences in the number of fitting parameters. The detailed network gave a better fit to the experimental data because it represented a more realistic description of the transformation. A suggested sequence from the Delplot method was consistent with the simple network but not with the detailed network. The lack of applicability of the Delplot analysis to the network with adsorbates was linked to overly large equilibrium constants, a determination supported by Delplot fitting for a model sequence. Further, this study indicated the inapplicability of the Delplot method in determining reaction sequences that involve adsorbed species with large equilibrium constants for formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Chromium-doped uranium dioxide fuels: A review

UO 2 doped with parts per million CR 2 O 3 powder is considered a potential near term accident tolerant fuel candidate. Here, the results of decades of industry and academic research into Cr-doped UO 2 are analyzed and their shortcomings are critiqued. Focusing on the incorporation mechanisms of Cr into the fuel matrix, we explore a mechanistic understanding of the characteristic properties of Cr-doped UO 2 , notably, enhanced fission gas retention attributed to enlarged grain sizes following sintering, along with marginal improvements in the thermophysical properties. The findings of recent X-ray Adsorption Near Edge Spectroscopy studies were compared and put into conversation with historic data regarding the incorporation of Cr in UO 2 . On the basis of defect mechanisms, the case is made for the substitutional incorporation of Cr governing the lattice solubility but not the enhanced U diffusivity. Instead, Cr/CR 2 O 3 redox chemistry in a well-defined oxygen potential explains the differences in the U diffusivity and O/M ratio. The primary mechanism of doping enhanced grain growth is found to be liquid assisted sintering due to a CRO (1) eutectic phase at the grain boundaries. The role of inhomogeneities in Cr concentration in UO 2 at various length scales across the materials microstructure is highlighted and connected to promising experimental and modeling work to fill in the gaps in the current understanding of Cr-doped UO 2 . The review considers both the open scientific questions and engineering applications to illustrate the deep connections between the practice and theory in the design of accident tolerant nuclear fuels. In conclusion, the review ends with an outline of future works that combine meticulous irradiation studies and high resolution experiments with next generation modeling and simulations techniques empowered by machine learning advances to accelerate the fabrication and adoption of Cr-doped UO 2 light water reactors.

Cleveland, Mack Wesley [Massachusetts Inst. of Tec↗

SCALEABLE HYDROTREATING OF HTL BIOCRUDE TO PRODUCE FUEL BLENDSTOCKS

Hydrothermal liquefaction (HTL) offers an attractive route to produce fuel blendstocks from wet wastes. Scaleable hydrotreating data for the conversion of HTL biocrude to fuels is critical to the commercialization of HTL. Herein, we demonstrate pore diffusion limitations for the hydrotreating of HTL biocrudes. We demonstrate scale-able hydrotreating of HTL biocrude to produce a high cetane diesel fuel and demonstrate the hydrotreating limitations.

Biofuel, hydrotreating, HTL biocrude, hydrothermal↗

Ensemble learning-iterative training machine learning for uncertainty quantification and automated experiment in atom-resolved microscopy

Deep learning has emerged as a technique of choice for rapid feature extraction across imaging disciplines, allowing rapid conversion of the data streams to spatial or spatiotemporal arrays of features of interest. However, applications of deep learning in experimental domains are often limited by the out-of-distribution drift between the experiments, where the network trained for one set of imaging conditions becomes sub-optimal for different ones. This limitation is particularly stringent in the quest to have an automated experiment setting, where retraining or transfer learning becomes impractical due to the need for human intervention and associated latencies. Here we explore the reproducibility of deep learning for feature extraction in atom-resolved electron microscopy and introduce workflows based on ensemble learning and iterative training to greatly improve feature detection. This approach allows incorporating uncertainty quantification into the deep learning analysis and also enables rapid automated experimental workflows where retraining of the network to compensate for out-of-distribution drift due to subtle change in imaging conditions is substituted for human operator or programmatic selection of networks from the ensemble. This methodology can be further applied to machine learning workflows in other imaging areas including optical and chemical imaging.

36 MATERIALS SCIENCE↗

Paraview-MCP

This project provides a streamlined way for users to interact with and control powerful scientific visualization software (ParaView) through a conversational interface. By developing an automated "Model Context Protocol" (MCP) server with a Python-based ParaView manager, the system allows users to seamlessly load and visualize complex datasets, explore visualization options with AI assistance, and optimize visualization output in a close loop. This is achieved by issuing intuitive, natural-language commands. The result is a user-friendly interface that integrates high-level conversation and scriptable data visualization, making scientific visualization tools more accessible to a broad audience.

Liu, Shusen [Lawrence Livermore National Laborator↗

Impact of anatomical fractionation of corn stover on hammer mill throughput and energy consumption

The goal of this Case Study was to quantify the impacts of variable moisture and ash on hammer mill throughput and energy consumption and on loss of very wet stover that causes failures in the first stage grinder and that are not able to be fed to conversion, as compared to a status quo Base Case system. Also considered was convertible carbohydrate content (minimum total carbohydrate specification) and maximum ash content and the delivered feedstock cost impacts of not being able to feed stover not meeting the total carbohydrate specification to the conversion reactor. Laboratory data on the impacts of moisture content and tissue fraction on throughput and energy consumption in a stage 2 hammer mill were received from FCIC Subtask 5.1. Additional air classifier throughput, energy consumption and separation efficiency data were obtained from FCIC Subtask 5.1 for the new air classifier, which has three exit streams (lights, middle and heavies). These data were utilized to develop the necessary response surface equations to perform throughput analysis using discrete event simulation. Because the ash contents and particle sizes had not been analyzed in the laboratory at the time of the model runs, we assumed that the ash distributed proportionally with total mass into the lights and heavies in an air classifier having two exit streams (lights and heavies) and that the lights fraction from the air classifier was not removed. Key takeaways from this Case Study are that due to lower energy consumption, it is more cost effective to hammer mill fractionated corn stover tissues than whole stover. Reduction of grinding energy was significant and may possibly be connected to particle-particle interactions in the grinder that lead to increased residence time of leaves and husks, resulting in decreased throughput and higher generation of fines when milling whole stover. While we did not see significant impacts to throughput, this was due to moisture failures of the first stage grinder in each system dominating failures and downtime. The operating cost savings of reduced grinding energy savings in the second stage hammer mills alone was high enough to offset the added capital cost of the air classifier and extra grinding line.

09 BIOMASS FUELS↗

Development of a concurrent coupled Atomistic - Continuum model to predict the defect and grain structure for Additive Manufacturing process [Slides]

Development of a coupled atomistic-continuum model for metal AM process. Two-way coupling between atomistic (heat flux) and continuum (temperature) domain. Identification of grain and dislocation structure at the atomistic domain. Conversion of dislocation data from discrete atomistic to density form at the continuum. Obtain the spatial distribution of grain structure and dislocation density in additively manufactured metal polycrystal material.

36 MATERIALS SCIENCE↗

Impact of Anatomical Fractionation of Corn Stover on Hammer Mill Throughput and Energy Consumption

The goal of this Case Study was to quantify the impacts of variable moisture and ash on hammer mill throughput and energy consumption and on loss of very wet stover that causes failures in the first stage grinder and that are not able to be fed to conversion, as compared to a status quo Base Case system. Also considered was convertible carbohydrate content (minimum total carbohydrate specification), maximum ash content and the delivered feedstock cost impacts of not being able to feed stover that did not meet the total carbohydrate specification to the conversion reactor. Laboratory data on the impacts of moisture content and tissue fraction on throughput and energy consumption in a stage 2 hammer mill were received from FCIC Subtask 5.1: Preprocessing, Corn Stover Preprocessing (Neal Yancey and Sergio Hernandez, INL). Additional air classifier throughput, energy consumption and separation efficiency data were obtained from FCIC Subtask 5.1 (Neal Yancey, INL) for the new air classifier, which has three exit streams (lights, middle and heavies). These data were utilized to develop the necessary response surface equations to perform throughput analysis using discrete event simulation. Because the ash contents and particle sizes had not been analyzed in the laboratory at the time of the model runs, we assumed that the ash distributed proportionally with total mass into the lights and heavies in an air classifier having two exit streams (lights and heavies) and that the lights fraction from the air classifier was not removed.

ash content↗