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DOE OSTI2024

Recent Insights Into Interfacial Transport and Chemical Reactions of Plasma–Generated Species in Liquid

The chemistry of plasma–liquid interactions involves a complex interplay of physical and chemical processes at the plasma–liquid interface. These interactions give rise to the generation, transport, and transformation of various reactive species. Since the publication of the Lorenz Roadmap in 2016, significant progress has been made in understanding the interfacial transport and coupled reactions of plasma-generated species with inorganic and organic compounds. However, critical aspects of plasma–liquid chemistry and mass transfer still require further investigation. Here, this review summarizes recent work on processes at the plasma–liquid interface and the coupled reactions in the liquid phase. We highlight key findings related to the involvement of O atoms, H radicals, solvated electrons, photons, and nitrogen-derived species at the interface and within the bulk liquid.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Bioenergy Underground: Challenges and opportunities for phenotyping roots and the microbiome for sustainable bioenergy crop production

Abstract Bioenergy production often focuses on the aboveground feedstock production for conversion to fuel and other materials. However, the belowground component is crucial for soil carbon sequestration, greenhouse gas fluxes, and ecosystem function. Roots maximize feedstock production on marginal lands by acquiring soil resources and mediating soil ecosystem processes through interactions with the microbial community. This belowground world is challenging to observe and quantify; however, there are unprecedented opportunities using current methodologies to bring roots, microbes, and soil into focus. These opportunities allow not only breeding for increased feedstock production but breeding for increased soil health and carbon sequestration as well. A recent workshop hosted by the USDOE Bioenergy Research Centers highlighted these challenges and opportunities while creating a roadmap for increased collaboration and data interoperability through standardization of methodologies and data using F.A.I.R. principles. This article provides a background on the need for belowground research in bioenergy cropping systems, a primer on root system properties of major U.S. bioenergy crops, and an overview of the roles of root chemistry, exudation, and microbial interactions on sustainability. Crucially, we outline how to adopt standardized measures and databases to meet the most pressing methodological needs to accelerate root, soil, and microbial research to meet the pressing societal challenges of the century.

09 BIOMASS FUELS↗

DOE OSTI2026

A Review of Software for Designing and Operating Quantum Networks

Quantum networks development is crucial to realizing a production-grade network that can support distributed sensing, secure communication, and utility-scale quantum computation. However, the transition from laboratory demonstration to deployable networks requires software implementations of architectures and protocols tailored to the unique constraints of quantum systems. This paper reviews the current state of software implementations for quantum networks, organized around a three-plane abstraction of infrastructure, logical, and control/service planes. We cover software for both designing quantum network protocols (e.g., SeQUeNCe, QuISP, and NetSquid) and operating testbeds, with a focus on essential control/service plane functions such as entanglement, topology, and resource management, in a proposed taxonomy. Our review highlights a persistent gap between theoretical architecture and protocol proposals and their realization in simulators or testbeds, particularly in dynamic topology and network management. We conclude by outlining open challenges and proposing a roadmap for developing scalable software architectures to enable hybrid, large-scale quantum networks.

Network Design↗

DOE OSTI2019

Magnesium Technology 2019

Joshi, Vineet V.↗

DOE OSTI2020

Magnesium Technology 2020

Magnesium and its alloys are being investigated widely for applications that require extraordinarily high strength-to-weight ratio, vibration damping, electromagnetic shielding, reduction in carbon footprint, sustainability improvements, and low toxicity. In the past decade or so, this drive has led to increased adoption of magnesium and its alloys in everyday products and it is no longer regarded as an esoteric material. The overarching goal of its widespread adoption and replacement of conventional materials such as steel and aluminum alloys has been restricted because of the cost of the material, limited sources of primary material, alloying constraints, high chemical reactivity, and challenges associated with its plasticity. Researchers, scientists, engineers, and economists from industry, government agencies and laboratories, and academic institutions alike are actively developing roadmaps for next-generation products and addressing these challenges as quickly as possible through unique and innovative methods. The TMS Magnesium Committee has been actively involved in providing a platform to these entities for disseminating the latest information, developments, and cutting-edge research and development, and showcasing the latest research and development trends related to magnesium and its alloys through the Magnesium Technology Symposium, which takes place every year at the TMS Annual Meeting. This proceedings volume retains the essence of this longstanding tradition. The twenty-first volume in the series, Magnesium Technology 2020, is the proceedings of the Magnesium Technology Symposium held during the 149th TMS Annual Meeting & Exhibition in San Diego, CA, February 23–27, 2020. The volume captures commentaries and papers from 15 different countries. The papers have been categorized systematically based on topics pertaining to magnesium production, casting and solidification, thermomechanical processing, deformation mechanisms, modeling, corrosion, and applications. The symposium began with keynote sessions that featured several distinguished invited speakers from government organizations and academia, who provided their perspectives on the state of the art, goals, and opportunities in magnesium alloy research and development. Dr. Carlos Tomé from Los Alamos National Laboratory, U.S. Department of Energy, discussed 3D characterization of mechanical twins across grain boundaries. This was followed by a talk on hierarchically structured ultrafine-grained magnesium alloys by Dr. Rajiv Mishra from the University of North Texas, USA, who presented an example of using friction stir additive manufacturing for implementing such microstructures at a component level. Dr. Mark Horstemeyer from Liberty University, USA, presented an overview of fatigue modeling to capture the corrosion-fatigue behavior of magnesium alloys. The final talk in this session was presented by Dr. Bin Jiang from Chongqing University, China, who presented a novel extrusion approach for achieving high-strength magnesium alloy plates.

Jordon, J. Brian↗

DOE OSTI2023

Multidisciplinary design optimization in Architecture, Engineering, and Construction: a detailed review and call for collaboration

The design of buildings has become a complex and multidisciplinary problem involving multiple conflicting objectives as architects and designers address competing technical, economic, environmental, and societal concerns. This has been driving research in Architecture, Engineering, and Construction (AEC) toward rigorous multidisciplinary decision-making frameworks that generate and evaluate numerous design alternatives using multi-objective optimization in concert with simulation and analysis models of varying fidelity and computational expense. While such frameworks are well known and widely employed in the aerospace and systems engineering domains, efforts by design professionals and researchers in the AEC field are scattered at best. In this paper, we provide a detailed review of recent developments in optimization frameworks in the AEC field and subsequently highlight how such developments are largely compartmentalized into separate domains such as structural, energy, daylighting, and other performance factors. Herein, we further discuss the technical challenges involved in concurrent coupled multidisciplinary design optimization (MDO) in the AEC field such as interoperability issues between Building Information Modeling (BIM) environments, analysis/simulation tools, and optimization frameworks. We conclude by outlining research needed for more unified modeling and simulation-based optimization frameworks to aid in complex and multidisciplinary building design processes. We also highlight the need for the identification and development of multi-fidelity simulation tools for use across multiple design phases. As such, this paper contributes a novel roadmap to leverage aerospace and systems engineering research in MDO into the field of AEC, along with a call for researchers in the MDO community to seek collaborations in AEC field.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2015

Fusion Guidance in Endovascular Peripheral Artery Interventions: A Feasibility Study

PurposeThis study was designed to evaluate the feasibility of endovascular guidance by means of live fluoroscopy fusion with magnetic resonance angiography (MRA) and computed tomography angiography (CTA).MethodsFusion guidance was evaluated in 20 endovascular peripheral artery interventions in 17 patients. Fifteen patients had received preinterventional diagnostic MRA and two patients had undergone CTA. Time for fluoroscopy with MRA/CTA coregistration was recorded. Feasibility of fusion guidance was evaluated according to the following criteria: for every procedure the executing interventional radiologists recorded whether 3D road-mapping provided added value (yes vs. no) and whether PTA and/or stenting could be performed relying on the fusion road-map without need for diagnostic contrast-enhanced angiogram series (CEAS) (yes vs. no). Precision of the fusion road-map was evaluated by recording maximum differences between the position of the vasculature on the virtual CTA/MRA images and conventional angiography.ResultsAverage time needed for image coregistration was 5 ± 2 min. Three-dimensional road-map added value was experienced in 15 procedures in 12 patients. In half of the patients (8/17), intervention was performed relying on the fusion road-map only, without diagnostic CEAS. In two patients, MRA roadmap showed a false-positive lesion. Excluding three patients with inordinate movements, mean difference in position of vasculature on angiography and MRA/CTA road-map was 1.86 ± 0.95 mm, implying that approximately 95 % of differences were between 0 and 3.72 mm (2 ± 1.96 standard deviation).ConclusionsFluoroscopy with MRA/CTA fusion guidance for peripheral artery interventions is feasible. By reducing the number of CEAS, this technology may contribute to enhance procedural safety.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2016

MeMoVolc report on classification and dynamics of volcanic explosive eruptions

Classifications of volcanic eruptions were first introduced in the early twentieth century mostly based on qualitative observations of eruptive activity, and over time, they have gradually been developed to incorporate more quantitative descriptions of the eruptive products from both deposits and observations of active volcanoes. Progress in physical volcanology, and increased capability in monitoring, measuring and modelling of explosive eruptions, has highlighted shortcomings in the way we classify eruptions and triggered a debate around the need for eruption classification and the advantages and disadvantages of existing classification schemes. Here, we (i) review and assess existing classification schemes, focussing on subaerial eruptions; (ii) summarize the fundamental processes that drive and parameters that characterize explosive volcanism; (iii) identify and prioritize the main research that will improve the understanding, characterization and classification of volcanic eruptions and (iv) provide a roadmap for producing a rational and comprehensive classification scheme. In particular, classification schemes need to be objective-driven and simple enough to permit scientific exchange and promote transfer of knowledge beyond the scientific community. Schemes should be comprehensive and encompass a variety of products, eruptive styles and processes, including for example, lava flows, pyroclastic density currents, gas emissions and cinder cone or caldera formation. Furthermore open questions, processes and parameters that need to be addressed and better characterized in order to develop more comprehensive classification schemes and to advance our understanding of volcanic eruptions include conduit processes and dynamics, abrupt transitions in eruption regime, unsteadiness, eruption energy and energy balance.

58 GEOSCIENCES↗

DOE OSTI2018

Limited range spatial load balancing in non-convex environments using sampling-based motion planners

This paper analyzes the limited range, spatial load balancing problem for agents deployed in non-convex environments and subject to differential constraints which restricts how the agents can move. First, the (unlimited range) spatial load balancing problem is introduced and the minimization problem with area constraints is defined. Then, to extend the problem for limited ranges, two cost functions and a sub-partition are defined. The problems are then analyzed and the results prove the existence of a partition that satisfies the area constraints. The non-convex environment makes the problem difficult to solve in continuous-space. Therefore, a probabilistic roadmap is used to approximate agents’ cells via a graph. A distributed algorithm is proven to converge to an approximate solution. Lastly, the convergence of the algorithm is shown in simulation.

42 ENGINEERING↗

DOE OSTI2021

An empirical investigation of organic software product lines

Abstract Software product line engineering is a best practice for managing reuse in families of software systems that is increasingly being applied to novel and emerging domains. In this work we investigate the use of software product line engineering in one of these new domains, synthetic biology. In synthetic biology living organisms are programmed to perform new functions or improve existing functions. These programs are designed and constructed using small building blocks made out of DNA. We conjecture that there are families of products that consist of common and variable DNA parts, and we can leverage product line engineering to help synthetic biologists build, evolve, and reuse DNA parts. In this paper we perform an investigation of domain engineering that leverages an open-source repository of more than 45,000 reusable DNA parts. We show the feasibility of these new types of product line models by identifying features and related artifacts in up to 93.5% of products, and that there is indeed both commonality and variability. We then construct feature models for four commonly engineered functions leading to product lines ranging from 10 to 7.5 × 10 20 products. In a case study we demonstrate how we can use the feature models to help guide new experimentation in aspects of application engineering. Finally, in an empirical study we demonstrate the effectiveness and efficiency of automated reverse engineering on both complete and incomplete sets of products. In the process of these studies, we highlight key challenges and uncovered limitations of existing SPL techniques and tools which provide a roadmap for making SPL engineering applicable to new and emerging domains.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

What drives embodied carbon policy? A global perspective on adoption

Abstract Embodied carbon refers to the greenhouse gas emission associated with the lifecycle of buildings. Embodied carbon policies are critical for addressing the environmental impact of construction materials and advancing climate goals. Despite their importance, the adoption of embodied carbon policies has been limited globally, influenced by economic, environmental, institutional, and trade factors. This study employs structural equation modeling to analyze 37 countries, testing ten hypotheses across four categorical factors. The base model reveals the significant influence of environmental vulnerability and institutional frameworks on policy adoption, while robustness models confirm the critical role of trade dependencies and economic competitiveness in shaping national embodied carbon strategies. Findings underscore that countries with high climate vulnerability and strong institutional support are more likely to adopt embodied carbon policies. Conversely, trade-reliant nations face challenges balancing competitiveness and sustainability. Policy implications suggest the need for international collaboration to align trade policies with carbon reduction goals, targeted support for vulnerable nations, and the integration of embodied carbon considerations into existing climate frameworks. These results offer a roadmap for policymakers to design more effective and equitable embodied carbon policies, fostering global progress toward sustainable construction and decarbonization.

Hu, Ming (ORCID:0000000325831161)↗

DOE OSTI2021

A Case for Electron-Astrophysics

Abstract The smallest characteristic scales, at which electron dynamics determines the plasma behaviour, are the next frontier in space and astrophysical plasma research. The analysis of astrophysical processes at these scales lies at the heart of the research theme of electron-astrophysics. Electron scales are the ultimate bottleneck for dissipation of plasma turbulence, which is a fundamental process not understood in the electron-kinetic regime. In addition, plasma electrons often play an important role for the spatial transfer of thermal energy due to the high heat flux associated with their velocity distribution. The regulation of this electron heat flux is likewise not understood. By focussing on these and other fundamental electron processes, the research theme of electron-astrophysics links outstanding science questions of great importance to the fields of space physics, astrophysics, and laboratory plasma physics. In this White Paper, submitted to ESA in response to the Voyage 2050 call, we review a selection of these outstanding questions, discuss their importance, and present a roadmap for answering them through novel space-mission concepts.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Taming the heat flux problem: Advanced divertors towards fusion power

The next generation fusion machines are likely to face enormous heat exhaust problems. In addition to summarizing major issues and physical processes connected with these problems, we discuss how advanced divertors, obtained by modifying the local geometry, may yield workable solutions. We also point out that: (1) the initial interpretation of recent experiments show that the advantages, predicted, for instance, for the X-divertor (in particular, being able to run a detached operation at high pedestal pressure) correlate very well with observations, and (2) the X-D geometry could be implemented on ITER (and DEMOS) respecting all the relevant constraints. As a result, a roadmap for future research efforts is proposed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

Transmutation-induced precipitation in tungsten irradiated with a mixed energy neutron spectrum

Transmutation-induced precipitation in neutron-irradiated tungsten is an important performance concern for its application as plasma facing material in fusion reactors. In this study, segregation and precipitation of transmutant elements in single crystal and polycrystal tungsten irradiated at 460–1100 °C to 0.02–2.4 displacements per atom (dpa) in the High Flux Isotope Reactor were investigated using transmission electron microscopy. The results indicated that nanoscale W-Re-Os clusters were identified in the low dose regime from 0.02 to 0.44 dpa with irradiation temperature lower than 800 °C while acicular-shape precipitates formed when irradiation dose is higher than 1.5 dpa. A tentative roadmap of the kinetics process of the transmutation-induced precipitation in neutron-irradiated tungsten is presented characterizing the defect features (i.e., W-Re-Os clusters and precipitates) consisting of transmutant elements in tungsten irradiated to various doses. All TEM-visible voids were associated with the acicular-shape precipitates. Voids were formed prior to the formation of acicular-shape precipitates and act as strong trapping sites for mobile species involved in the precipitation together with dislocations. Thermal stability of W-Re-Os clusters was assessed by performing a 2-h anneal at 1200 °C on tungsten irradiated to 0.44 dpa at 705 °C. In conclusion, the kinetics process of transmutant elements and radiation defects are discussed to reveal the underlying mechanisms controlling the formation of precipitates in tungsten.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Towards developing multiscale-multiphysics models and their surrogates for digital twins of metal additive manufacturing

Artificial intelligence (AI) embedded within digital models of manufacturing processes can be used to improve process productivity and product quality significantly. The application of such advanced capabilities particularly to highly digitalized processes such as metal additive manufacturing (AM) is likely to make those processes commercially more attractive. AI capabilities will reside within Digital Twins (DTs) which are living virtual replicas of the physical processes. DTs will be empowered to operate autonomously in a diagnostic control capacity to supervise processes and can be interrogated by the practitioner to inform the optimal processing route for any given product. The utility of the information gained from the DTs would depend on the quality of the digital models and, more importantly, their faster-solving surrogates which dwell within DTs for consultation during rapid decision-making. In this article, we point out the exceptional value of DTs in AM and focus on the need to create high-fidelity multiscale-multiphysics models for AM processes to feed the AI capabilities. We identify technical hurdles for their development, including those arising from the multiscale and multiphysics characteristics of the models, the difficulties in linking models of the subprocesses across scales and physics, and the scarcity of experimental data. We discuss the need for creating surrogate models using machine learning approaches for real-time problem-solving. We further identify non-technical barriers, such as the need for standardization and difficulties in collaborating across different types of institutions. We offer potential solutions for all these challenges, after reflecting on and researching discussions held at an international symposium on the subject in 2019. Here, we argue that a collaborative approach can not only help accelerate their development compared with disparate efforts, but also enhance the quality of the models by allowing modular development and linkages that account for interactions between the various sub-processes in AM. A high-level roadmap is suggested for starting such a collaboration.

36 MATERIALS SCIENCE↗

DOE OSTI2026

The Energy Costs of Dewatering Feedstock Microalgae Species Using Conventional Implementations of Ultrasonic and Crossflow Filtration Technologies

The use of microalgae as a feedstock for biofuels and other products continues to be explored, but large-scale biomass production faces persistent high costs. One major cost contributor is the energy required for harvesting and dewatering, a challenge resulting from the dilute nature of microalgae cultures as well as the properties of microalgae cells. This study investigated the energy demands of concentrating three diverse microalgae species (Nannochloropsis salina, Scenedesmus obliquus, and Chlorella luteoviridis) exhibiting different settling velocities, a key harvesting property, using conventional ultrasonic and crossflow membrane filtration. Membrane-free ultrasonic filtration removed 60-80% of the microalgae largely in steady-state operations, increasing concentrations 20-100 times, while consuming 1-6 kWh/m3 - similar to centrifugation. In contrast, crossflow membrane filtration retained nearly 100% of the microalgae, increasing concentrations over 20-fold, but consumed 158 kWh/m3 - over 10 times the energy of centrifugation. Both approaches exceeded the 10% energy target suggested in the 2010 National Algal Biofuel Technology Roadmap. This study also highlights potential sources of energy savings. For ultrasonic filtration, attention to an innovative, dynamic property of the ultrasonic chamber called the Energy Efficiency Factor, could lead to energy reductions by no more than 10-fold and improve the favorability of two of the microalgae species studied. For membrane filtration, a dead-end configuration could reduce energy consumption by no more than 1000-fold, making it favorable for all three species. This study not only highlights the need to further increase the energy content of microalgae cultures, but also the critical importance of continued development of ultrasonic filtration and other harvesting technologies to achieve low-cost, energy-sustainable algal biofuels.

09 BIOMASS FUELS↗

DOE OSTI2016

Performance-based ECCS cladding acceptance criteria: A new simulation approach

The U. S. Nuclear Regulatory Commission is currently proposing rulemaking to revise the Loss Of Coolant Accident (LOCA) and therefore the Emergency Core Cooling System (ECCS) acceptance criteria, to include the effects of higher burnup on cladding performance as well as to address other technical issues. As motivated by the new rule, the need to use advanced cladding designs may be a result. A loss of operational margin may result due to the more restrictive cladding embrittlement criteria. Initial and future compliance with the rule may significantly increase vendor workload and licensee cost, as a spectrum of fuel rod initial burnup states may need to be analyzed to demonstrate compliance. Consequently, there will be an increased focus on licensee decision making related to LOCA analysis to minimize cost and impact, and to manage margin. The study here presented has been part of a big project used to investigate technical issues and approaches for future industrial applications within the Risk-Informed Safety Margin Characterization (RISMC) Pathway. Specifically, the primary aim of this study is to lay out a roadmap to demonstrate the application of the new methodology. Furthermore, the present analysis shows a simplified version of the methodology of an industrial application on the Core Design and the Multi-Cycle Analysis.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Cement and concrete as carbon sinks: Transforming a climate challenge into a carbon storage opportunity

Cement and concrete, while traditionally recognized as the main contributors to anthropogenic CO 2 emissions, also have untapped capacity to serve as substantial and scalable carbon sinks. This perspective examines how engineered mineral carbonation can transform cement-based materials into functional carbon storage systems, generating both environmental and economic value. We review the fundamental mechanisms of CO 2 uptake in cementitious systems, highlighting current limitations in reaction kinetics, phase control, and durability under varying environmental conditions. Emphasis is placed on the utilization of alkaline industrial residues and emerging magnesium-based cements, which offer synergistic pathways for carbon sequestration and circular resource use. We further assess the performance trade-offs associated with CO 2 uptake and the feasibility of deploying these technologies on industrial scales. A strategic roadmap is proposed that integrates scientific innovation, regulatory alignment, and carbon accounting in the life cycle to accelerate the adoption of carbon-storing concrete. This perspective provides a comprehensive framework to advance cement and concrete as engineered carbon sinks and supports the transition to a climate-positive construction industry.

Carbon storage↗