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At least 577 records · Page 32

Biochemical Conversion of Lignocellulosic Biomass to Hydrocarbon Fuels and Products: 2022 State of Technology and Future Research

The annual State of Technology (SOT) assessment is a key activity for biochemical platform research. It allows the impact of research progress (both directly achieved in-house at the National Renewable Energy Laboratory [NREL] and indirectly extrapolated from available public data) 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 toward out-year goals to ultimately demonstrate cost-competitive biofuel technology. Building upon efforts to progress NREL's biochemical platform R&D work toward ultimate 2030 goals to demonstrate less than $2.50/gallon gasoline equivalent (GGE) fuel selling prices, experimental and techno-economic analysis (TEA) activities have primarily focused on "advanced" biochemical processing strategies to fuels and coproducts, guided by TEA modeling to highlight key barriers and priorities toward achieving this goal across a number of potential bioconversion pathways. The purpose of the present effort is to benchmark the latest experimental developments for these pathways as quantified by modeled minimum fuel selling prices (MFSPs), as a measure of current status relative to those final targets. For this SOT, 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 two scenarios for lignin utilization, namely combustion and conversion to value-added coproducts.

09 BIOMASS FUELS↗

A perspective on the pathway to a scalable quantum internet using rare-earth ions

The ultimate realization of a global quantum internet will require advances in scalable technologies capable of generating, storing, and manipulating quantum information. The essential devices that will perform these tasks in a quantum network are quantum repeaters, which will enable the long-range distribution of entanglement between distant network nodes. Here, in this review, we provide an overview of the primary functions of a quantum repeater and discuss progress that has been made toward the development of repeaters with rare-earth ion doped materials while noting challenges that are being faced as the technologies mature. We give particular attention to erbium, which is well suited for networking applications. Finally, we provide a discussion of near-term benchmarks that can further guide rare-earth ion platforms for impact in near-term quantum networks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Techno-Economic Analysis and Life-Cycle Assessment of Emerging Technologies for Bioprocessing Separations

Limited availability, rising costs, and environmental concerns about fossil fuels have generated considerable interest in finding alternative, renewable sources including biomass, which can be converted into a number of biofuels and bioproducts. In comparison to petroleum-based products, high processing costs, mainly associated with bioprocessing separations, limit widespread implementation of biofuels and bioproducts. Bioprocess-related separations are also complicated, regardless of the conversion pathway, due to the dilute nature of products and the chemically complex mixtures that result from biomass deconstruction. In many cases, bioprocessing separation approaches lack a technology baseline, or definition of the state of technology (SOT). This work focuses on evaluating the technology readiness of novel separations technologies for the conversion of biomass into biofuels and bioproducts and will address three key topics: 1) SOT description, 2) economic viability analysis of both SOT and innovative separations, and 3) environmental impact assessment of both SOT and novel processes. The current SOT for lignin valorization, dilute carbon recovery, and impurity removal is used to identify potential opportunities for improvement and provide a baseline for comparison with the emerging technologies. Detailed techno-economic analysis (TEA) and life cycle assessment (LCA) are applied to understand the key drivers and challenges related to the economic feasibility and environmental impacts, respectively.

BASIC BIOLOGICAL SCIENCES,BIOMASS FUELS↗

Technology Needs to Support Future Mars Exploration

The Mars Program Planning Group (MPPG) under the direction of Dr. Orlando Figueroa, was chartered to develop options for a program-level architecture for robotic exploration of Mars consistent with the objective to send humans to Mars in the 2030's. Scientific pathways were defined for future exploration, and multiple architectural options were developed that meet current science goals and support the future human exploration objectives. Integral to the process was the identification of critical technologies which enable the future scientific and human exploration goals. This paper describes the process for technology capabilities identification and examines the critical capability needs identified in the MPPG process. Several critical enabling technologies that have been identified to support the robotic exploration goals and with potential feedforward application to human exploration goals. Potential roadmaps for the development and validation of these technologies are discussed, including options for subscale technology demonstrations of future human exploration technologies on robotic missions.

Mars Program Planning Group (MPPG)↗

Idaho national laboratory to demonstrate collaboration first versus competition to accelerate achieving a secure clean energy future by 2031

Idaho National Laboratory (INL) announced at COP27 it would reach net zero greenhouse gas (GHG) emissions by 2031. As a Nuclear, Energy and Environment, and National Homeland Security laboratory, the predominant solution to closing the clean energy gap will include nuclear as a safe, clean, reliable and affordable electricity source with the additional benefit of producing heat and hydrogen to fuel INL’s large transportation fleet. INL’s collaboration first vs. competition is essential to the program’s success. The focused actions in INL’s Nuclear Roadmap include: Infrastructure, Licensing/Regulatory, Financial, Time to Market, Fuel Cycle and Public Confidence/Communications. The roadmap also includes nuclear technology innovations and creative partnerships with utility providers, regulators, businesses, community members, and Indigenous Peoples to accelerate deployment of advanced reactors. Through development of the Net-Zero Nuclear Roadmap, INL will offer a model to provide safe and secure energy for the nation and the world by: (1) establishing the necessary infrastructure on its 890-square mile site to support demonstration, (2) showing proven pathways through the licensing and regulation process, (3) partnering with utilities to ensure commercial application, and (4) collaborating with industry to site new technologies.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Design and optimization of processes for recovering rare earth elements from end‐of‐life permanent magnets

Recovery of rare earth elements (REEs) from end-of-life (EOL) products represents a strategic opportunity to strengthen the domestic supply chain for rare earth elements. This work presents a superstructure-based optimization framework for finding the most economical processing pathway for different EOL rare earth permanent magnets (REPMs). The framework evaluates state-of-the-art technologies across four processing stages—disassembly, demagnetization, leaching and extraction, and precipitation and calcination—using net present value (NPV) maximization and cost of recovery (COR) minimization objectives. A novel bottom-up costing framework for hydrogen decrepitation is also introduced. Two feedstocks were considered: REPMs from EOL hard disk drives (HDDs), and electric and hybrid electric vehicles (EVs and HEVs). While HDD recycling proved unprofitable due to limited feedstock availability, EVs/HEVs were profitable across a range of parameters and cost estimates. Therefore, our findings suggest that the proposed EOL EV/HEV recycling process may be economical and is worthy of further investigation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Enabling Seamless Transitions from Experimental to Production HPC for Interactive Workflows

The evolving landscape of scientific computing requires seamless transitions from experimental to production HPC environments for interactive workflows. This paper presents a structured transition pathway developed at OLCF that bridges the gap between development testbeds and production systems. We address both technological and policy challenges, introducing frameworks for data streaming architectures, secure service interfaces, and adaptive resource scheduling for time-sensitive workloads and improved HPC interactivity. Our approach transforms traditional batch-oriented HPC into a more dynamic ecosystem capable of supporting modern scientific workflows that require near real-time data analysis, experimental steering, and cross-facility integration.

Etz, Brian [ORNL] (ORCID:0000000208554863)↗

Correlation between cation order/disorder and the electrocaloric effect in the MLCCs of complex perovskite ferroelectrics

The physical properties (dielectric, ferroelectric, piezoelectric, etc.) of complex perovskite ferroelectrics depend on the degree of order/disorder and the scale of the ordered domains. In this study, the electrocaloric (EC) properties of three representative complex perovskite ferroelectrics, Pb(Mg 1/3 Nb 2/3 )O 3 -8PbTiO 3 (PMN-8PT), 1mol% Sm-doped Pb(Mg 1/3 Nb 2/3 )O 3 -8PbTiO 3 (1S-PMN-8PT) and Pb(Sc 1/2 Ta 1/2 )O 3 (PST) are evaluated. Multi-layer ceramic capacitors (MLCCs) with identical structural configurations were fabricated for these three compounds, and their EC properties were characterized by direct measurement using a thermocouple. The EC temperature change of PMN-8PT, 1S-PMN-8PT and PST MLCCs under 20 V μm –1 at room temperature were found to be 1.42 K, 1.54 K, and 3.10 K, respectively. X-ray diffraction and high-resolution transmission electron microscopy data suggests that the high EC performance of PST is related to the ordering of B-site cations (Sc 3+ and Ta 5+ ) with the ordering parameter S = 0.82 and a long coherence length of ~100 nm, such that the sample transitioned from a relaxor ferroelectric to a normal ferroelectric. Furthermore, these results provide pathway towards design of high performance EC materials required for solid state refrigeration and air-conditioning technologies.

36 MATERIALS SCIENCE↗

Multiple selectivity-determining mechanisms of H 2 O 2 formation in iron porphyrin-catalysed oxygen reduction

Multiple H 2 O 2 -forming mechanisms are accessible in Fe(porphyrin)-catalysed oxygen reduction, a key reaction in both fuel cell technologies and oxygen-utilizing enzymes. Our kinetic analysis reveals that the porphyrin secondary structure dictates the pathway for H 2 O 2 formation. This approach is generalizable to other electrocatalytic processes and provides insight into the selectivity-determining steps.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The nature of the DX state in Ge-doped AlGaN

Electrical conductivity in high Al-content AlGaN has been severely limited, presumably due to a DX transition forming an acceptor state and subsequent self-compensation, which imposed an upper limit on the achievable free carrier concentration. To elucidate this idea, this paper examines Ge doping as a function of Al-content in AlGaN and finds a different behavior: for Al compositions below 40%, Ge behaved as a shallow donor with an ionization energy below 20 meV, while for Al compositions above 40%, above DX transition, it emerged as a deep donor. The ionization energy of this deep state increased with increasing Al content and reached 150 meV for 60% AlGaN. Around the DX transition, a continuous change from the shallow to deep donor was observed. In contrast to the density functional theory predictions, acceptor-type states corresponding to a DX-type transition were not observed. This finding may have profound technological consequences for the development of AlGaN- and AlN-based devices as it offers a feasible pathway to high n-conductivity in these compounds.

Physics↗

The role of negative emissions in meeting China’s 2060 carbon neutrality goal

China’s pledge to reach carbon neutrality before 2060 is an ambitious goal and could provide the world with much-needed leadership on how to limit warming to +1.5°C warming above preindustrial levels by the end of the century. But the pathways that would achieve net zero by 2060 are still unclear, including the role of negative emissions technologies. We use the Global Change Analysis Model to simulate how negative emissions technologies, in general, and direct air capture (DAC) in particular, could contribute to China’s meeting this target. Our results show that negative emissions could play a large role, offsetting on the order of 3 GtCO 2 per year from difficult-to-mitigate sectors, such as freight transportation and heavy industry. This includes up to a 1.6 GtCO 2 per year contribution from DAC, constituting up to 60% of total projected negative emissions in China. But DAC, like bioenergy with carbon capture and storage and afforestation, has not yet been demonstrated anywhere approaching the scales required to meaningfully contribute to climate mitigation. Deploying NETs at these scales will have widespread impacts on financial systems and natural resources, such as water, land and energy in China.

54 ENVIRONMENTAL SCIENCES↗

Four-Dimensional Quasielastic Neutron Scattering (4D-QENS) Analysis of Correlated Ionic Conduction in Sr⁢Cl2

Methods of elucidating the mechanisms of fast-ion conduction in solid-state materials are pivotal for advancements in energy technologies such as batteries, fuel cells, sensors, and supercapacitors. In this study, we examine the ionic conduction pathways in single crystal Sr⁢Cl2, which is a fast-ion conductor above 900 K, using four-dimensional quasielastic neutron scattering (4D-QENS). We explore both coherent and incoherent neutron scattering at temperatures above the transition temperature into the superionic phase to explore the correlated motion of hopping anions. Refinements of the incoherent QENS yield residence times and jump probabilities between lattice sites in good agreement with previous studies, confirming that ionic hopping along nearest-neighbor directions is the most probable conduction pathway. However, the coherent QENS reveals evidence of de Gennes narrowing, indicating the importance of ionic correlations in the conduction mechanism. This highlights the need for improvements both in the theory of ionic transport in fluorite compounds and the modeling of coherent 4D-QENS in single crystals.

Coles, Jared [Materials Science Division, Argonne ↗

Review—Thermal Safety Management in Li-Ion Batteries: Current Issues and Perspectives

Approaches for thermal management of lithium-ion (Li-ion) batteries do not always keep pace with advances in energy storage and power delivering capabilities. Root-cause analysis and empirical evidence indicate that thermal runaway (TR) in cells and cell-to-cell thermal propagation are due to adverse changes in physical and chemical characteristics internal to the cell. However, industry widely uses battery management systems (BMS) originally designed for aqueous-based batteries to manage Li-ion batteries. Even the "best" BMS that monitor both voltage and outside-surface temperature of each cell are not capable of preventing TR or TR propagation, because voltage and surface-mounted temperature sensors do not track fast-emerging adverse events inside a cell. Most BMS typically include a few thermistors mounted on select cells to monitor their surface temperature. Technology to track intra-cell changes that are TR precursors is becoming available. Simultaneously, the complex pathways resulting in cell-to-cell TR propagation are being successfully modelled and mapped. Innovative solutions to prevent TR and thermal propagation are being advanced. These include modern BMS for rapid monitoring the internal health of each individual cell and physical as well as chemical methods to reduce the deleterious effects of rapid cell-to-cell heat and material transport in case of TR.

25 ENERGY STORAGE↗

Copper Dendrites and Surface Engineering for Enhanced CO2 Reduction Research Report Paper

The electrocatalytic reduction of CO 2 (CO 2 R) into hydrocarbon fuels, such as ethylene and ethanol, provides an attractive pathway towards closing the industrial carbon cycle and producing chemicals using renewable electricity. Existing CO 2 R technologies can exhibit C 2+ product selectivity above 74% and operating current densities over 1.3 A/cm 2 , but none can achieve both simultaneously, limiting the commercial viability and scalability of this technology. Low CO 2 concentrations at the catalyst surface and competing side reactions such as the hydrogen evolution reaction (HER) inhibit C 2+ faradaic efficiencies and operational current densities. Additionally, the use of high surface area cathode geometries to increase operational current densities is under-investigated. In this work, we electrodeposit a macroporous copper dendrite film to form high surface area cathodes. These structures are then coated with a combination of hydrophobic/hydrophilic ionomers to achieve high electrochemically active surface areas (ECSA), form regions of intrinsic porosity, and maximize catalytic availability of CO 2 . Using these techniques, we hope to maximize C 2+ faradaic efficiencies (FE) and geometric partial current densities. The treated cathode compound macrostructure (~10μm-sized pores, and ~μm-long dendrites) and concomitant surface area allows increased geometric current densities while the ionomer coating simultaneously inhibits HER and increases hydrogen availability to improve C 2+ selectivity. Our results show that careful engineering of the catalyst-electrolyte interface can enhance CO 2 reduction product selectivity and efficiency.

10 SYNTHETIC FUELS↗

Polymer Nanocomposite Sensors with Improved Piezoelectric Properties through Additive Manufacturing

Additive manufacturing (AM) technology has recently seen increased utilization due to its versatility in using functional materials, offering a new pathway for next-generation conformal electronics in the smart sensor field. However, the limited availability of polymer-based ultraviolet (UV)-curable materials with enhanced piezoelectric properties necessitates the development of a tailorable process suitable for 3D printing. This paper investigates the structural, thermal, rheological, mechanical, and piezoelectric properties of a newly developed sensor resin material. The polymer resin is based on polyvinylidene fluoride (PVDF) as a matrix, mixed with constituents enabling UV curability, and boron nitride nanotubes (BNNTs) are added to form a nanocomposite resin. The results demonstrate the successful micro-scale printability of the developed polymer and nanocomposite resins using a liquid crystal display (LCD)-based 3D printer. Additionally, incorporating BNNTs into the polymer matrix enhanced the piezoelectric properties, with an increase in the voltage response by up to 50.13%. This work provides new insights for the development of 3D printable flexible sensor devices and energy harvesting systems.

42 ENGINEERING↗

Synthesis of Graphite Encapsulated Metal Nanoparticles and Metal Catalyzed Nanotubes

This work focuses on the growth and inception of graphite encapsulated metal nanoparticles and metal catalyzed nanotubes using combustion chemistry. Deciphering the inception and growth mechanism(s) for these unique nanostructures is essential for purposeful synthesis. Detailed knowledge of these mechanism(s) may yield insights into alternative synthesis pathways or provide data on unfavorable conditions. Production of these materials is highly desirable given many promising technological applications.

vanderWal, R. L.↗

Perspectives on Climate Effects on Agriculture: The International Efforts of AgMIP in Sub-Saharan Africa

Agriculture in Sub-Saharan Africa (SSA) is experiencing climate change-related effects that call for integrated regional assessments, yet capacity for these assessments has been low. The Agricultural Model Intercomparison and Improvement Project (AgMIP) is advancing research on integrated regional assessments of climate change that include climate, crop, and economic modeling and analysis. Through AgMIP, regional integrated assessments are increasingly gaining momentum in SSA, and multi-institutional regional research teams (RRTs) centered in East, West, and Southern· Africa are generating new information on climate change impacts and adaptation in selected agricultural systems. The research in Africa is organized into four RRTs and a coordination team. Each of the RRTs in SSA is composed of scientists from the Consultative Group of International Agricultural Research (CGIAR) institutions, National Agriculture Research institutes (NARs), and universities consisting of experts in crop and economic modeling, climate, and information technology. Stakeholder involvement to inform specific agricultural systems to be evaluated, key outputs, and the representative agricultural pathways (RAPs), is undertaken at two levels: regional and national, in order to contribute to decision making at these levels. Capacity building for integrated assessment (lA) is a key component that is undertaken continuously through interaction with experts in regional and SSA-wide workshops, and through joint creation of tools. Many students and research affiliates have been identified and entrained as part of capacity building in IA. Bi-monthly updates on scholarly publications in climate change in Africa also serve as a vehicle for knowledge-sharing. With 60 scientists already trained and actively engaged in IA and over 80 getting monthly briefs on the latest information on climate change, a climate-informed community of experts is gradually taking shape in SSA. (See Part 2, Appendices 3-5 in this volume for AgMIP Regional Workshop reports.)

Kihara, Job↗

A Geodetic and Positioning Thematic Layer - Identifying tools to connect the GGRF and IGIF

Effective and sustainable modernization of a nation’s geodetic framework relies on the ability of the relevant organizations and other stakeholders to communicate, integrate, and align both their strategic objectives and operational planning with the United Nations Committee of Experts on Global Geospatial Information Management (UN GGIM) Sub-Committee on Geodesy’s (SCoG) roadmap for a Global Geodetic Reference Frame (GGRF) for Sustainable Development. In addition, to implement geodetic modernization initiatives through multiple government agencies, a holistic country action plan (CAP) for geospatial information management must incorporate pertinent geodetic outcomes and outputs. Presently, the CAP framework and principles used by nations is the UN GGIM Integrated Geospatial Information Framework (IGIF). From engagement with geospatial and survey communities across emerging nations in the Asia Pacific region, it is evident more assistance and coordination is necessary to articulate, integrate and connect geodetic organizational strategies with the requirements of the GGRF roadmap; the strategic pathways of the IGIF; and resourcing for a meaningful and relevant multi-faceted CAP. One of the supporting mechanisms for such planning or preparation, which representatives of the International Federation of Surveyors (FIG) Asia Pacific Capacity Development Network (AP CDN) and the UN SCoG Education, Training and Capacity Building (ETCB) working group are considering, is a policy framework and guide for a “Geodetic and Positioning Thematic Layer” (GPTL). Essentially, this “thematic layer”, in terms of the GGRF and IGIF, aims to provide a comprehensive understanding of, and a toolbox for, the “why, what, how, and who” of geodesy and positioning. This discussion paper will provide background and insights for a GPTL dedicated to recognizing, and aligning the geodetic capacity development needs with broader geospatial information management issues and applications. The paper will also outline a rigorous, participatory, and inclusive consultation process for the design and development of a thematic layer. Furthermore, as the intention of the authors is to prepare a forthcoming “white paper” that will concisely describe the issues of a GPTL and initiatives for an appropriate guide and/or policy framework, this paper will seek feedback on: the potential scientific, social, environmental and political benefits of modernizing geodetic infrastructure and systems; the challenges associated with the GGRF roadmap; leveraging the geodesy-relevant elements of each IGIF strategic pathway; the importance of collaborative efforts; and the capacity development needs and resources in relation to governance, technology and people.

SARIB, Rob↗