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Understanding interfacial segregation in polymer blend films with random and mixed side chain bottlebrush copolymer additives

Bottlebrush polymers are complex macromolecules with tunable physical properties dependent on the chemistry and architecture of both the side chains and the backbone. Prior work has demonstrated that bottlebrush polymer additives can be used to control the interfacial properties of blends with linear polymers but has not specifically addressed the effects of bottlebrush side chain microstructures. Here, using a combination of experiments and self-consistent field theory (SCFT) simulations, we investigated the effects of side chain microstructures by comparing the segregation of bottlebrush additives having random copolymer side chains with bottlebrush additives having a mixture of two different homopolymer side chain chemistries. Specifically, we synthesized bottlebrush polymers with either poly(styrene-ran-methyl methacrylate) side chains or with a mixture of polystyrene (PS) and poly(methyl methacrylate) (PMMA) side chains. Furthermore, the bottlebrush additives were matched in terms of PS and PMMA compositions, and they were blended with linear PS or PMMA chains that ranged in length from shorter to longer than the bottlebrush side chains. Experiments revealed similar behaviors of the two types of bottlebrushes, with a slight preference for mixed side-chain bottlebrushes at the film surface. SCFT simulations were qualitatively consistent with experimental observations, predicting only slight differences in the segregation of bottlebrush additives driven by side chain microstructures. Specifically, these slight differences were driven by the chemistries of the bottlebrush polymer joints and side chain end-groups, which were entropically repelled and attracted to interfaces, respectively. Using SCFT, we also demonstrated that the interfacial behaviors were dominated by entropic effects with high molecular weight linear polymers, leading to enrichment of bottlebrush near interfaces. Surprisingly, the SCFT simulations showed that the chemistry of the joints connecting the bottlebrush backbones and side chains played a more significant role compared with the side chain end groups in affecting differences in surface excess of bottlebrushes with random and mixed side chains. This work provides new insights into the effects of side chain microstructure on segregation of bottlebrush polymer additives.

36 MATERIALS SCIENCE↗

Advanced Reactor Supply Chain Assessment (GAIN Report)

Several net-zero scenario evaluations predict a rapid ramp up of nuclear energy in the coming decades. If this materializes, it will most likely strain the supply chains associated with the potential advanced reactor concepts awaiting deployment. To help assess the current and potential capacities of the various advanced reactor supply chains, the Gateway for Accelerated Innovation in Nuclear (GAIN) conducted a survey of companies able to produce components for advanced reactors in the near future (namely for sodium, gas-cooled, and molten salt reactors). Using an aggressive nuclear deployment scenario, the objective was to assess the ability of the various supply chains to meet the considerable demand projections for certain key components (vessels, heat exchangers, pumps, graphite, and sensors) and identify potential challenges. While individual companies were unable to meet the most optimistic nuclear deployment rate projections, it was found that on aggregate, a United States-based supply chain projected that expansion could be ramped up to meet a larger future demand of these components. However, meeting projected demand for several more complex items (namely gas or salt heat exchangers) was found to be more challenging. Deploying new reactors at scale necessitates the production of more and more supply chain components, requiring a ramp up in production. Supply chain companies were surveyed, and respondents appeared less able to meet short term demand (next year) versus longer-term demand projections (5 and 10 years). This reflects the need to obtain orders with adequate lead times (can range from 3 to 30 months). Future demand will need to be met by expanding existing capacity. These expansions will require suppliers to raise capital or secure other types of support (federal loans or grants) to invest in facilities, equipment, and workforce. Individual suppliers indicated financial investments could be in the range of $\$ $100 million to $\$ $1 billion for their own facilities (depending on the type of facility). The biggest risk, according to respondents, related to general uncertainties surrounding the future nuclear industry and whether the potential demand projections will materialize into real demand that is actionable from a business perspective. Businesses do not seem willing to take investments risks without clear orders. If businesses are not able to invest to expand the supply, it will either delay the deployment of advanced nuclear technology, or the supply chain will be met by suppliers outside of the United States. This report only focuses on the domestic supply chain’s ability to meet the various projections stipulated here for the specific assessed components (vessels, heat exchangers, pumps, graphite, and sensors). The report does not cover all reactor designs or all components that may ultimately be needed for any one reactor design. It also does not address whether any specific aspect of the supply chain will be cost competitive in the global market, nor how potential state-backed entities could affect the expansion of a United States-based supply chain. The largest challenges in ramping up capacity among respondents appear to be workforce related. This includes workforce availability, experience, training, and turnover. In addition to facility investment, suppliers will also need to invest heavily in long-term workforce training to meet production goals. This issue is not nuclear-specific, and the expansion of any supply chain will likely face similar challenges. While suppliers evaluated expected normal business demand from other markets outside of nuclear, it is possible that other market segments could expand more than predicted and compete for the same suppliers. One potential market that may compete for the same supplier resources is the United States military, as many of these suppliers support both the commercial nuclear sector as well as the Navy with reactors and components. In summary, suppliers in the United States believe that there is a way to increase production in order to begin meeting the demand which will exist for advanced reactors—as long as appropriate investments can be made in the supply chain in an appropriate timeframe. Based on the capacity projections and lead times, investment will be needed to meet the 5-year and 10-year production targets. Therefore, if significant nuclear deployment is to occur in the 2030s, investment and ramp up of the advanced nuclear supply chain will need to begin in the near future for the United States to successfully deploy these advanced reactors with domestic supply chains.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Increased localization of Majorana modes in antiferromagnetic chains on superconductors

Magnet-superconductor hybrid (MSH) systems are a key platform for custom-designed topological superconductors. Ideally, the ends of a one-dimensional MSH structure will host Majorana zero-modes (MZMs), the fundamental unit of topological quantum computing. However, some experiments with ferromagnetic (FM) chains show a more complicated picture. Due to tiny gap sizes and hence long coherence lengths, MZMs might hybridize and lose their topological protection. Recent experiments on a niobium surface have shown that both FM and antiferromagnetic (AFM) chains may be engineered, with the magnetic order depending on the crystallographic direction of the chain. While FM chains are well understood, AFM chains are less so. Here, we study two models inspired by the niobium surface: A minimal model to elucidate the general topological properties of AFM chains and an extended model to more closely simulate a real system by mimicking the proximity effect. Here, we find that, in general, for AFM chains, the topological gap is larger than for FM ones, and thus, coherence lengths are shorter for AFM chains, yielding more pronounced localization of MZMs in these chains. While for some parameters AFM chains may be topologically trivial, we find in these cases that adding an adjacent chain can result in a nontrivial system, with a single MZM at each chain end.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Cometary Nuclei and Tidal Disruption: The Geologic Record of Crater Chains on Callisto and Ganymede

Prominent crater chains on Ganymede and Callisto are most likely the impact scars of comets tidally disrupted by Jupiter and are not secondary crater chains. We have examined the morphology of these chains in detail in order to place constraints on the properties of the comets that formed them and the disruption process. In these chains, intercrater spacing varies by no more than a factor of 2 and the craters within a given chain show almost no deviation from linearity (although the chains themselves are on gently curved small circles). All of these crater chains occur on or very near the Jupiter-facing hemisphere. For a given chain, the estimated masses of the fragments that formed each crater vary by no more than an order of magnitude. The mean fragment masses for all the chains vary by over four orders of magnitude (W. B. McKinnon and P. M. Schenk 1995, Geophys. Res. Lett. 13, 1829-1832), however. The mass of the parent comet for each crater chain is not correlated with the number of fragments produced during disruption but is correlated with the mean mass of the fragments produced in a given disruption event. Also, the larger fragments are located near the center of each chain. All of these characteristics are consistent with those predicted by disruption simulations based on the rubble pile cometary nucleus model (in which nuclei are composed on numerous small fragments weakly bound by self-gravity), and with those observed in Comet D/Shoemaker-Levy 9. Similar crater chains have not been found on the other icy satellites, but the impact record of disrupted comets on Callisto and Ganymede indicates that disruption events occur within the Jupiter system roughly once every 200 to 400 years.

Schenk, Paul M.↗

Ordered hexagonal columnar liquid crystalline self-assembly of mesogen-free sulfonylated side-chain chiral polyethers and their high dielectric property

To achieve large spontaneous polarization for ferroelectric liquid crystalline polymers, we have designed a series of mesogen-free isotactic polyethers with sulfonylated side chains. Different from prior studies using linear alkyl side chains, in this work a methyl branch was implemented in the alkyl side chains of the chiral polyethers. As a result of the continuous twist from the methyl branches and strong dipole-dipole interactions among neighboring sulfonyl groups, a helical chain conformation with tilted side chains was achieved. When the branched side chains were short (e.g., C5) and double chirality existed in both the main chain and side chains, a crystalline structure was obtained. When the branched side chains were long (e.g., ≥ C8) and single chirality existed in the main chain, an ordered hexagonal columnar liquid crystalline phase was induced. Their high-field dielectric property was studied by electric displacement-electric field (D-E) loop tests; however, no ferroelectric behavior was observed up to 200 MV/m. It was considered that the dipole-dipole interaction among neighboring sulfonyl groups in the helical chains was too strong to allow easy ferroelectric flipping.

36 MATERIALS SCIENCE↗

Doping Scheme in Atomic Chain Electronics

Due to the dramatic reduction in MOS size, there appear many unwanted effects. In these small devices, the number of dopant atoms in the channel is not macroscopic and electrons may suffer significantly different scattering from device to device since the spatial distribution of dopant atoms is no longer regarded as continuous. This prohibits integration, while it is impossible to control such dopant positions within atomic scale. A fundamental solution is to create electronics with simple but atomically precise structures, which could be fabricated with recent atom manipulation technology. All the constituent atoms are placed as planned, and then the device characteristics are deviation-free, which is mandatory for integration. Atomic chain electronics belongs to this category. Foreign atom chains or arrays form devices, and they are placed on the atomically flat substrate surface. We can design the band structure and the resultant Fermi energy of these structures by manipulating the lattice constant. Using the tight-binding theory with universal parameters, it has been predicted that isolated Si chains and arrays are metallic, Mg chains are insulating, and Mg arrays have metallic and insulating phases [1]. The transport properties along a metallic chain have been studied, emphasizing the role of the contact to electrodes [2]. For electronic applications, it is essential to establish a method to dope a semiconducting chain, which is to control the Fermi energy position without altering the original band structure. If we replace some of the chain atoms with dopant atoms randomly, the electrons will see random potential along die chain and will be localized strongly in space (Anderson localization). However, if we replace periodically, although the electrons can spread over the chain, there will generally appear new bands and band gaps reflecting the new periodicity of dopant atoms. This will change the original band structure significantly. In order to overcome this dilemma, we may place a dopant atom beside the chain at every N lattice periods (N > 1). Because of the periodic arrangement of pant atoms, we can avoid the unwanted Anderson localization. Moreover, since the dopant atoms do not constitute the chain, the overlap interaction between them is minimized, and the band structure modification can be made smallest. Some tight-binding results will be discussed to demonstrate the present idea.

Toshishige, Yamada↗

SCRL-Model for Human Space Flight Operations Enterprise Supply Chain

This paper will present a Supply Chain Readiness Level (SCRL) model that can be used to evaluate and configure adaptable and sustainable program and mission supply chains at an enterprise level. It will also show that using SCRL in conjunction with Technology Readiness Levels (TRLs), Manufacturing Readiness Levels (MRLs) and National Aeronautics Space Administrations (NASA s) Project Lifecycle Process will provide a more complete means of developing and evaluating a robust sustainable supply chain that encompasses the entire product, system and mission lifecycle. In addition, it will be shown that by implementing the SCRL model, NASA can additionally define supplier requirements to enable effective supply chain management (SCM). Developing and evaluating overall supply chain readiness for any product, system and mission lifecycle is critical for mission success. Readiness levels are presently being used to evaluate the maturity of technology and manufacturing capability during development and deployment phases of products and systems. For example, TRLs are used to support the assessment of the maturity of a particular technology and compare maturity of different types of technologies. MRLs are designed to assess the maturity and risk of a given technology from a manufacturing perspective. In addition, when these measurement systems are used collectively they can offer a more comprehensive view of the maturity of the system. While some aspects of the supply chain and supply chain planning are considered in these familiar metric systems, certain characteristics of an effective supply chain, when evaluated in more detail, will provide an improved insight into the readiness and risk throughout the supply chain. Therefore, a system that concentrates particularly on supply chain attributes is required to better assess enterprise supply chain readiness.

Tucker, Brian↗

Chain conformations and phase separation in polymer solutions with varying solvent quality

Molecular dynamics simulations are used to investigate the conformations of a single polymer chain, represented by the Kremer-Grest bead-spring model, in a solution with a Lennard-Jones liquid as the solvent when the interaction strength between the polymer and solvent is varied. Results show that when the polymer-solvent interaction is unfavorable, the chain collapses as one would expect in a poor solvent. For more attractive polymer-solvent interactions, the solvent quality improves and the chain is increasingly solvated and exhibits ideal and then swollen conformations. However, as the polymer-solvent interaction strength is increased further to be more than about twice the strength of the polymer-polymer and solvent-solvent interactions, the chain exhibits an unexpected collapsing behavior. Correspondingly, for strong polymer-solvent attractions, phase separation is observed in the solutions of multiple chains. These results indicate that the solvent becomes effectively poor again at very attractive polymer-solvent interactions. Nonetheless, the mechanism of chain collapsing and phase separation in this limit differs from the case with a poor solvent rendered by unfavorable polymer-solvent interactions. In the latter, the solvent is excluded from the domain of the collapsed chains while in the former, the solvent is still present in the pervaded volume of a collapsed chain or in the polymer-rich domain that phase separates from the pure solvent. Finally, in the limit of strong polymer-solvent attractions, the solvent behaves as a glue to stick monomers together, causing a single chain to collapse and multiple chains to aggregate and phase separate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Supply Chain Road Map for Offshore Wind Energy in the United States

"A Supply Chain Road Map for Offshore Wind Energy in the United States" identifies pathways to developing a domestic offshore wind supply chain that can manufacture and deploy the major components needed to set the United States on a pathway to installing 30 GW of offshore wind by 2030 and 110 GW by 2050. The report estimates that this supply chain could require an investment of at least $\$$22.7 billion this decade to meet an annual demand for components, ports, and vessels in 2030. Although this is a considerable investment, it could allow the industry to install around $\$$100 billion worth of offshore wind this decade by reducing risk of delays due to global supply chain bottlenecks and creating a robust network of assets that will continue to be effective well beyond 2030. The United States would need at least 34 manufacturing facilities employing 10,000 workers, 39,000 jobs in the supporting supply chain, 10 marshaling ports, 4-6 dedicated wind turbine installation vessels, 4-6 dedicated heavy-lift vessels, and 4-8 U.S.-flagged specialized feeder barges to come online this decade to support an average annual deployment of 4-6 gigawatts offshore wind capacity per year. This supply chain could be developed in 6-9 years, but would require near-term decision making and efficient permitting and planning to strategically develop these resources by 2030. Additional investment and expansion would be required in the 2030s as the sector expands into new regions (such as the Gulf of Mexico) and new technologies (such as larger wind turbines and floating wind energy projects). Furthermore, the planning process needs to meaningfully engage with communities that will be impacted by supply chain expansion to achieve just outcomes and maximize benefits to these stakeholders, which will result in a more equitable and sustainable supply chain. While U.S. offshore wind has made significant progress in recent years, remaining supply chain challenges include uncertainty surrounding deployment and procurement timelines; a lack of port and vessel infrastructure; and limitations in the available workforce, supporting supplier networks, and energy justice best practices. However, many of these problems can be addressed through improved communication between key stakeholder groups, support from federal and state governments, and forward-thinking designs of supply chain assets to accommodate future technology changes for fixed-bottom and floating offshore wind. Although it is a significant task, developing these domestic capabilities represents a once-in-a-generation opportunity to contribute to a decarbonized energy future and also create massive economic benefits that are distributed throughout the country.

17 WIND ENERGY↗

Hydropower Supply Chain Gap Analysis

In 2022, DOE conducted supply chain "deep dives" for renewable energy technologies, including hydropower (Uria-Martinez, Hydropower Industry Supply Chain Deep Dive Assessment 2022). The deep dive identified several challenges in the current hydropower supply chain. In addition, Nguyen et. al (2022) conducted an analogous deep-dive assessment on large (> 100-MW) power transformers (LPTs), a critical component of hydropower installations, and concluded that the LPTs as well as several upstream components and materials also have domestic supply chain challenges. These deep dives were the initial high-level assessments of these supply chains and were focused on identifying the biggest issues. Both recommended further investigation. In the two years since the deep dives were published, the Water Power Technologies Office (WPTO) has focused on improving our understanding of the hydropower supply chain and developing strategies for addressing these challenges. Because the challenges outlined above are most acute for large hydropower systems, most of the report and specifically, this report concentrates on the larger > 100-MW hydropower systems. Early in 2023, DOE's Secretary of Energy asked the Water Power Technologies Office (WPTO) to engage the hydropower community and seek input on strategies to secure and encourage domestic manufacturing. WPTO has established three focus areas for engagement: 1) Define the market for planned rehabilitations and new construction of the domestic fleet, 2) Provide insights for policies, incentives, loan programs, and technology investments to encourage domestic content, and 3) Define the existing and required domestic hydropower manufacturing capabilities and workforce. This report summarizes these efforts and complements the earlier work by further exploring the identified challenges and identifying potential actions to address these challenges. Furthermore, we conducted a detailed gap analysis of the domestic hydropower supply chain, down to the component level. From this analysis, we then make specific, actionable recommendations for closing these gaps. Section 2 of the report summarizes recent (i.e., since 2021) legislation impacting hydropower deployment and/or its supply chain. It then describes the efforts of WPTO to assess and improve the hydropower supply chain since the publication of the deep-dive assessments. In Section 3, the report updates the earlier supply chain and market studies, identifying specific capabilities by company and location. Section 4 outlines the hydropower demand signal for both new builds due to clean energy goals as well as refurbishments and upgrading of the current domestic fleet. Section 5 is a detailed gap analysis while Section 6 provides actionable recommendations for closing the gaps. Section 7 concludes the report by linking the recommendations to the identified gaps and discusses future efforts.

13 HYDRO ENERGY↗

Gravitational wave spectrum of chain inflation

Chain inflation is an alternative to slow-roll inflation in which the inflaton tunnels along a large number of consecutive minima in its potential. In this work we perform the first comprehensive calculation of the gravitational wave (GW) spectrum of chain inflation. In contrast to slow-roll inflation the latter does not stem from quantum fluctuations of the gravitational field during inflation, but rather from the bubble collisions during the first-order phase transitions associated with vacuum tunneling. Our calculation is performed within an effective theory of chain inflation which builds on an expansion of the tunneling rate capturing most of the available model space. The effective theory can be seen as chain inflation’s analog of the slow-roll expansion in rolling models of inflation. The near scale-invariance of the scalar power spectrum translates to a quasiperiodic shape of the inflaton potential in chain inflation, with the tunneling rate changing very slowly during the e-folds leading to cosmic microwave background observables. We show that chain inflation produces a very characteristic double-peak GW spectrum: a faint high-frequency peak associated with the gravitational radiation emitted during inflation, and a strong low-frequency peak associated with the graceful exit from chain inflation (marking the transition to the radiation-dominated epoch). There exist very exciting prospects to test the gravitational wave signal from chain inflation at the aLIGO-aVIRGO-KAGRA network, at LISA and /or at pulsar timing array experiments. A particularly intriguing possibility we point out is that chain inflation could be the source of the stochastic gravitational wave background recently detected by NANOGrav, PPTA, EPTA, and CPTA. We also show that the gravitational wave signal of chain inflation is often accompanied by running/ higher running of the scalar spectral index to be tested at future cosmic microwave background experiments. Published by the American Physical Society 2024

Freese, Katherine↗

Competitiveness and Commercialization of Energy Technologies: Supply Chain Deep Dive Assessment

The report “America’s Strategy to Secure the Supply Chain for a Robust Clean Energy Transition” lays out the challenges and opportunities faced by the United States in the energy supply chain as well as the federal government plans to address these challenges and opportunities. It is accompanied by several issue-specific deep dive assessments, including this one, in response to Executive Order 14017 “America’s Supply Chains,” which directs the Secretary of Energy to submit a report on supply chains for the energy sector industrial base. The Executive Order is helping the federal government to build more secure and diverse U.S. supply chains, including energy supply chains. Competitive U.S.-based clean energy manufacturers and rapid commercialization of U.S.-developed technologies are critical to secure energy supply chains, generate high quality jobs, and meet the United States’ national security, energy and climate objectives. The February 2021 “Executive Order on America’s Supply Chains” (E.O. 14017) directs the U.S. Department of Energy (DOE) to evaluate supply chains that encompass the energy industrial base, focusing on technologies that are critical to meet U.S. decarbonization goals by 2050. Understanding and analyzing the end-to-end supply chain through economic analysis is crucial to mitigating risks and identifying opportunities to enhance U.S. competitiveness in the clean energy industry. This insight will allow the Department of Energy (DOE) to leverage its research, development, demonstration and deployment (RDD&D) capabilities to most fully realize the objectives of E.O. 14017.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Doping of Semiconducting Atomic Chains

Due to the rapid progress in atom manipulation technology, atomic chain electronics would not be a dream, where foreign atoms are placed on a substrate to form a chain, and its electronic properties are designed by controlling the lattice constant d. It has been shown theoretically that a Si atomic chain is metallic regardless of d and that a Mg atomic chain is semiconducting or insulating with a band gap modified with d. For electronic applications, it is essential to establish a method to dope a semiconducting chain, which is to control the Fermi energy position without altering the original band structure. If we replace some of the chain atoms with dopant atoms randomly, the electrons will see random potential along the chain and will be localized strongly in space (Anderson localization). However, if we replace periodically, although the electrons can spread over the chain, there will generally appear new bands and band gaps reflecting the new periodicity of dopant atoms. This will change the original band structure significantly. In order to overcome this dilemma, we may place a dopant atom beside the chain at every N lattice periods (N > 1). Because of the periodic arrangement of dopant atoms, we can avoid the unwanted Anderson localization. Moreover, since the dopant atoms do not constitute the chain, the overlap interaction between them is minimized, and the band structure modification can be made smallest. Some tight-binding results will be discussed to demonstrate the present idea.

Toshishige, Yamada↗

Substrate Effects on Electronic Properties of Atomic Chains

Atomic chains, precise structures of adatoms created on an atomically regulated surface, are candidates for constituent elements in future electronics. It was predicted that Si chains were metallic and Mg chains were semiconducting, and a doping method was also discussed. The substrate was assumed to work as a non-interacting template holding the adatoms. However, this scheme requires a low-temperature environment so that the adatoms will not displace from their ideal positions due to unwanted thermal agitation. For better structural stability, we may seek a scheme to allow the adatoms to form chemical bonding with the substrate atoms and secure their positions. The chemical bonding has two major effects on the chain electronic properties. First, only the remaining s and p orbitals in an adatom not used for the chemical bonding can decide chain band structures, rather than the full set of orbitals previously assumed. Second, because of a possible HOMO energy difference between adatom and substrate atom, semiconducting chains are unintentionally doped. These effects are studied with a self-consistent tight-binding method with universal parameters. With one adatom per unit cell, adatom chains are semiconducting: (1) if adatoms are of group III and form one chemical bond per adatom, or (2) if adatoms are of group IV and form two chemical bonds. 'Me previous result [I I of realizing semiconducting chains by group II adatoms without chemical bonds is consistent with this picture. When the HOMO energy in an adatom is shallower than that in a substrate atom, the entire chain is positively polarized, unintentionally achieving p-type doping. When deeper, the chain is negatively charged, achieving n-type doping.

Yamada, Toshishige↗

Using SCOR as a Supply Chain Management Framework for Government Agency Contract Requirements

This paper will present a model that uses the Supply-Chain Operations Reference (SCOR) model as a foundation for a framework to illustrate the information needed throughout a product lifecycle to support a healthy supply chain management function and the subsequent contract requirements to enable it. It will also show where in the supply chain the information must be extracted. The ongoing case study used to exemplify the model is NASA's (National Aeronautics and Space Administration) Ares I program for human spaceflight. Effective supply chain management and contract requirements are ongoing opportunities for continuous improvement within government agencies, specifically development of systems for human spaceflight operations. Multiple reports from the Government Accountability Office (GAO) reinforce this importance. The SCOR model is a framework for describing a supply chain with process building blocks and business activities. It provides a set of metrics for measuring supply chain performance and best practices for continuously improving. This paper expands the application of the SCOR to also provide the framework for defining information needed from different levels of the supply chain and at different phases of the lifecycle. These needs can be incorporated into contracts to enable more effective supply chain management. Depending on the phase of the lifecycle, effective supply chain management will require involvement from different levels of the organization and different levels of the supply chain.

Paxton, Joseph↗

SENTRA: A Modular Computational Graph Framework for Critical Mineral and Materials Supply Chains: Part I: Network Construction Latent-Quantity Estimation, and Temporal Graph Forecasting

Global supply chains for critical minerals and materials are complex, evolving networks of countries, products, production stages, and trade relationships. Existing analytical approaches are limited by fragmented data and static network representations that do not capture the dynamic production dependencies linking raw materials, intermediate products, and final goods across multiple countries. Trade and production statistics provide only a partial view of domestic production, inventories, and material flows, making it difficult to identify indirect sourcing pathways, hidden dependencies, and embedded foreign exposures. This paper introduces the Supply Chain Exposure Network Tracking and Risk Assessment (SENTRA) framework, a modular graph-based computational framework for constructing, analyzing, and forecasting dynamic supply chain networks. As the first paper in a three-part methodological series, it establishes the computational foundation of SENTRA by constructing a temporal attributed multi-relational graph whose nodes represent product–country pairs and whose edges encode observed trade and within-country value-chain relationships. Statistical estimation and constrained optimization recover latent production, final demand, and product input dependency coefficients while enforcing economic accounting constraints. Graph-derived exposure measures quantify direct, transshipment, value-chain, and multi-hop supply chain dependencies independently of the forecasting model. A temporal graph forecasting architecture based on a relational graph neural network then forecasts the evolution of the graph under mass-balance constraints with distribution-free conformal uncertainty quantification. Validation on the global aluminum supply chain shows that the learned graph representations recover economically meaningful supply chain structure, accurately forecast out-of-sample trade relationships, and produce well-calibrated prediction intervals. Subsequent papers apply this computational foundation to exposure assessment, disruption analysis, and scenario-based policy analysis, and extend the framework to multimaterial supply chain modeling and decision support.

36 MATERIALS SCIENCE↗

Deconstructing the Nuclear Supply Chain Cyber-Attack Surface

The nuclear supply chain cyber-attack surface is a large, complex network of interconnected stakeholders and activities. The global economy has widened and deepened the supply chain resulting in larger numbers of geographically dispersed locations and increased difficulty ensuring the authenticity and security of digital assets. Although the nuclear industry has made significant strides in securing facilities from cyber-attacks, the supply chain remains vulnerable. This paper provides further details on each of the elements in the Digital I&C System Supply Chain Cyber-Attack Surface, including supply chain lifecycle activities, key stakeholders, touchpoints, and attack types. Deconstructing this attack surface provides insights into supply chain threats, vulnerabilities, and consequences. These insights will lead to improvements in cybersecurity supply chain risk analysis, development of new cybersecurity supply chain processes and tools, and enhancement of overall supply chain resilience.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Maximized Hole Trapping in a Polystyrene Transistor Dielectric from a Highly Branched Iminobis(aminoarene) Side Chain

We synthesized highly branched and electron donating side chain subunits and attached them to polystyrene (PS) used as a dielectric layer in a pentacene field effect transistor. The influence of these groups on dielectric function, charge retention and threshold voltage shifts (ΔV th ) depending on their positions in dielectric multilayers was determined. We compared the observations made on an N-perphenylated iminobisaniline side chain with those from the same side chains modified with ZnO nanoparticles and with an adduct formed from tetracyanoethylene (TCNE). We also synthesized an analogue in which six methoxy groups are present instead of two amine nitrogens. At 6 mol % side chain, hopping transport was sufficient to cause shorting of the gate, while at 2 mol %, charge trapping was observable as transistor threshold voltage shifts (ΔV th ). Here, we created three types of devices: with the substituted PS layer as single layer dielectric, on top of a crosslinked PS layer but in contact with the pentacene (bilayers), and sandwiched between two PS layers in trilayers. Particularly large bias stress effects and ΔV th , larger than the hexamethoxy and previously studied dimethoxy analogs, were observed in the second case and the effects increased with the increasing electron donating properties of the modified side chains. The highest ΔV th was consistent with a majority of the side chains stabilizing trapped charge. Trilayer devices showed decreased charge storage capability compared to previous work in which we used less donating side chains but in higher concentrations. The ZnO and TCNE modifications resulted in slightly more and less negative ΔV th , respectively, when the side chain polystyrene was not in contact with the pentacene and isolated from the gate electrode. The results indicate a likely maximum combination of molecular charge stabilizing activity and side chain concentration that still allows gate dielectric function.

36 MATERIALS SCIENCE↗