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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

BESSIE: Battery & Energy Storage Supply Chain Analysis, Mitigation Deployment, and Tools

Battery energy storage systems (BESS) and their associated power electronic interfaces are key components to delivering clean and more resilient energy, providing much-needed fast-ramping, emergency discharge, generation, and operations support to the electric grid. These services have grown to be invaluable over the past ten years and will soon be an irreplaceable element of energy delivery. The Idaho National Laboratory (INL) strives to address these challenges through a strategic approach to supply chain risk assessment and mitigation for BESS and related digital energy equipment through the BESSIE project under the Center for Securing Digital Energy Technology. Recognizing that decreasing dependence on a foreign supply chain will take significant time and investment, BESSIE’s focus is strategically addressing battery supply chain risks by pairing short-term steps to operate securely through today’s risks with long-term steps to shape the supply chain over the coming years.

25 ENERGY STORAGE↗
DOE OSTI2025

Modeling Cyber Supply Chain Incidents with Multilayered Graph Motifs

As noted within the literature, supply chain includes people and organizations---manufacturers, integrators, and third-party vendors---that are involved in one or more stages of a product lifecycle. Since supply chains, by definition, include organizations and people, supply chain risk management activities must consider dependencies between an organization's business processes and third-party resources. Just as adversarial tactics can be implemented via techniques implemented via networked computer systems, so can such tactics be expressed via legal business relationships. A cyber incident may have an exponential impact downstream, for example, by leveraging a product's distribution channel (e.g. malicious updates in SolarWinds, buggy updates in CrowdStrike). Similarly, legitimate and legal business relationships also affect the attack surface exposure of systems, enabling long-term persistence and/or unknown impacts to product quality that are hard to detect. This paper catalogs several recent digital supply chain incidents and applies a multilayered network formalism to develop structural indicators (graph motifs) that reflect potentially-adversarial behavior. Finally, we compare and contrast the characteristics of adversarial tactics (e.g. Loss of Availability, Data Collection) that leverage cyber-physical dependencies to those that leverage legal organizational relationships.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2025

BESS Digital Assurance, Supply Chain Risk Management, and Emerging Regulation Session Two

The TADA BESS Supply Chain Workshops are designed to equip participants with the knowledge and tools necessary to address the evolving challenges at the intersection of battery energy storage systems (BESS), cybersecurity, and supply chain vulnerabilities. The workshops emphasize the application of Cyber-Informed Engineering (CIE) principles using INL’s procurement guide and the CIE-BAT tool. Attendees will develop risk-based security strategies and actionable compliance roadmaps tailored to their BESS projects. Additionally, the program fosters a collaborative network of practitioners and provides guidance on navigating emerging regulatory requirements, including FEOC rules under the OBBB framework, to assess and enhance organizational readiness. A comprehensive exploration of BESS cybersecurity supply chain risks, systematic vendor risk assessment through the BESS Procurement Guide, and practical application of the INL SCRM Chatbot for enhanced supply chain resilience. This is Session 2 of 3. (Full Version)

25 - ENERGY STORAGE↗
DOE OSTI2017

Enhancing Performance of Nonfullerene Acceptors via Side‐Chain Conjugation Strategy

A side‐chain conjugation strategy in the design of nonfullerene electron acceptors is proposed, with the design and synthesis of a side‐chain‐conjugated acceptor (ITIC2) based on a 4,8‐bis(5‐(2‐ethylhexyl)thiophen‐2‐yl)benzo[1,2‐ b :4,5‐ b′ ]di(cyclopenta‐dithiophene) electron‐donating core and 1,1‐dicyanomethylene‐3‐indanone electron‐withdrawing end groups. ITIC2 with the conjugated side chains exhibits an absorption peak at 714 nm, which redshifts 12 nm relative to ITIC1. The absorption extinction coefficient of ITIC2 is 2.7 × 10 5 m −1 cm −1 , higher than that of ITIC1 (1.5 × 10 5 m −1 cm −1 ). ITIC2 exhibits slightly higher highest occupied molecular orbital (HOMO) (−5.43 eV) and lowest unoccupied molecular orbital (LUMO) (−3.80 eV) energy levels relative to ITIC1 (HOMO: −5.48 eV; LUMO: −3.84 eV), and higher electron mobility (1.3 × 10 −3 cm 2 V −1 s −1 ) than that of ITIC1 (9.6 × 10 −4 cm 2 V −1 s −1 ). The power conversion efficiency of ITIC2‐based organic solar cells is 11.0%, much higher than that of ITIC1‐based control devices (8.54%). Our results demonstrate that side‐chain conjugation can tune energy levels, enhance absorption, and electron mobility, and finally enhance photovoltaic performance of nonfullerene acceptors.

Wang, Jiayu↗
DOE OSTI2024

Anisotropic 2D van der Waals Magnets Hosting 1D Spin Chains

Abstract The exploration of 1D magnetism, frequently portrayed as spin chains, constitutes an actively pursued research field that illuminates fundamental principles in many‐body problems and applications in magnonics and spintronics. The inherent reduction in dimensionality often leads to robust spin fluctuations, impacting magnetic ordering and resulting in novel magnetic phenomena. Here, structural, magnetic, and optical properties of highly anisotropic 2D van der Waals antiferromagnets that uniquely host spin chains are explored. First‐principle calculations reveal that the weakest interaction is interchain, leading to essentially 1D magnetic behavior in each layer. With the additional degree of freedom arising from its anisotropic structure, the structure is engineered by alloying, varying the 1D spin chain lengths using electron beam irradiation, or twisting for localized patterning, and spin textures are calculated, predicting robust stability of the antiferromagnetic ordering. Comparing with other spin chain magnets, these materials are anticipated to bring fresh perspectives on harvesting low‐dimensional magnetism.

1D magnetism↗
DOE OSTI2017

Effect of Alkylsilyl Side‐Chain Structure on Photovoltaic Properties of Conjugated Polymer Donors

Abstract Side‐chain engineering is an important strategy for optimizing photovoltaic properties of organic photovoltaic materials. In this work, the effect of alkylsilyl side‐chain structure on the photovoltaic properties of medium bandgap conjugated polymer donors is studied by synthesizing four new polymers J70 , J72 , J73 , and J74 on the basis of highly efficient polymer donor J71 by changing alkyl substituents of the alkylsilyl side chains of the polymers. And the photovoltaic properties of the five polymers are studied by fabricating polymer solar cells (PSCs) with the polymers as donor and an n‐type organic semiconductor (n‐OS) m ‐ITIC as acceptor. It is found that the shorter and linear alkylsilyl side chain could afford ordered molecular packing, stronger absorption coefficient, higher charge carrier mobility, thus results in higher J sc and fill factor values in the corresponding PSCs. While the polymers with longer or branched alkyl substituents in the trialkylsilyl group show lower‐lying highest occupied molecular orbital energy levels which leads to higher V oc of the PSCs. The PSCs based on J70 : m ‐ITIC and J71 : m ‐ITIC achieve power conversion efficiency (PCE) of 11.62 and 12.05%, respectively, which are among the top values of the PSCs reported in the literatures so far.

Bin, Haijun↗
DOE OSTI2019

Alkyl Chain Length Effects of Polymer Donors on the Morphology and Device Performance of Polymer Solar Cells with Different Acceptors

Abstract The development of nonfullerene acceptors has brought polymer solar cells into a new era. Maximizing the performance of nonfullerene solar cells needs appropriate polymer donors that match with the acceptors in both electrical and morphological properties. So far, the design rationales for polymer donors are mainly borrowed from fullerene‐based solar cells, which are not necessarily applicable to nonfullerene solar cells. In this work, the influence of side chain length of polymer donors based on a set of random terpolymers PTAZ‐TPD10‐C n on the device performance of polymer solar cells is investigated with three different acceptor materials, i.e., a fullerene acceptor [70]PCBM, a polymer acceptor N2200, and a fused‐ring molecular acceptor ITIC. Shortening the side chains of polymer donors improves the device performance of [70]PCBM‐based devices, but deteriorates the N2200‐ and ITIC‐based devices. Morphology studies unveil that the miscibility between donor and acceptor in blend films depends on the side chain length of polymer donors. Upon shortening the side chains of the polymer donors, the miscibility between the donor and acceptor increases for the [70]PCBM‐based blends, but decreases for the N2200‐ and ITIC‐based blends. These findings provide new guidelines for the development of polymer donors to match with emerging nonfullerene acceptors.

Pang, Shuting↗
DOE OSTI2023

Designing a GIS-based supply chain for producing carinata-based sustainable aviation fuel in Georgia, USA

Carinata is a potential crop for sustainable aviation fuel (SAF) production in the southern USA. However, as a novel crop, the cost-effectiveness and environmental feasibility of carinata feedstock are unknown, and there are questions about the optimal supply chain configuration for carinata-based SAF production. This study aims to design a supply chain model for carinata-based SAF production by optimizing the location of farms and facilities (e.g. storage units, crushing mills, biorefineries) for a minimum transportation cost under a set of supply and demand conditions. An integrated mixed-integer linear programming (MILP) model was combined with geographical information system (GIS) analysis to design a spatially explicit supply chain configuration. The GIS-based network analysis considered all of the counties in Georgia to set the candidate locations of carinata farms and facilities, and determined minimum cost and emission routes between those counties and the airport using existing transportation networks and modes (e.g. road, rail and pipeline). The MILP model determined the final selection of the farms and the number of facilities and their locations over those minimum-cost routes. With this supply chain configuration, the minimum price of SAF was $\$$0.92 L –1 , which is $\$$0.44 higher than conventional aviation fuel (CAF). The associated carbon intensity of SAF was estimated at 940.7 g CO 2 e L –1 , a reduction of 66% relative to the carbon intensity of equivalent CAF. The study found that a carbon tax (or subsidy) of $\$$230.48 t CO 2 e –1 would be needed to overcome the cost differential with CAF and promote carinata-based SAF in Georgia.

09 BIOMASS FUELS↗
DOE OSTI2018

Scaling Laws for Polymer Chains Grafted onto Nanoparticles

An experimental approach is presented for identifying the scaling laws for polymer chains grafted onto gold nanoparticles. Poly(ethylene oxide) of various molecular weights are grafted onto gold nanoparticles via thiol end-functional groups. The polymer-grafted nanoparticles are self-assembled into monolayers from solvents of different quality. Over a significant range of graft densities, nanoparticle monolayers deposited from good (athermal) solvent exhibit particle spacing that scales according to theoretical predictions for chains in dilute solution. This unexpected result for ordered nanoparticle monolayers is discussed in the context of the deposition process. In monolayers deposited from theta solvent, molecular weight scaling of particle spacing breaks down, possibly due to chain length dependence of solvent quality. In poor solvent, the structure of nanoparticle assemblies is not sufficiently ordered to obtain reliable measurements, possibly due to loss of nanoparticle dispersion. This approach opens up the possibility for accurate measurement of the effect of solvent on grafted chain scaling in nanoparticle assemblies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Stacking Faults and Short-Range Magnetic Correlations in Single Crystal Y 5 Ru 2 O 12 : A Structure with Ru +4.5 One-Dimensional Chains

In this paper, the synthesis, structure, and physical properties of Y 5 Ru 2 O 12 , a new member of the Ln 5 B 2 O 12 class (Ln = lanthanide, B = Ru, Re, Mo) are reported. Single crystals of Y 5 Ru 2 O 12 are synthesized using a high-temperature, high-pressure (700 °C, 200 MPa) hydrothermal method. The structure features edge-sharing Ru—O—Ru 1D chains of distorted RuO6 octahedra. The YO n (n = 6 and 7) polyhedral groups bridge Ru—O—Ru chains across the unit cell by forming a complex 3D structure. The Ru—O—Ru chains contain alternating shorter and longer Ru—Ru distances along the chain. Single crystal neutron diffraction shows streak-like diffuse scattering along the H-direction, due to stacking faults. Temperature-dependent anisotropic magnetic measurements reveal a broad feature over a wide temperature range, with a maximum at ≈70 K indicating potential short-range ordering, with canted antiferromagnetic behavior below 30 K. The dominant magnetic interactions are antiferromagnetic with a large negative Weiss temperature θ ≈ –200 K. The compound has an effective magnetic moment that is anomalously large for this class of compounds (≈4 μ B Ru –1 ), and a phenomenological spin Hamiltonian describing the unusual anisotropic magnetization of Y 5 Ru 2 O 12 is proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

When finite becomes infinite: convergence properties of vibrational spectra of oligomer chains

We present a computational study of convergence properties of vibrational IR and Raman spectra for a series of increasingly long units of polyethylene, cis- and trans-polyacetylenes, and polyynes. Convergent behavior to the spectra of infinitely long polymers was observed in all cases when chains reached lengths of approximately 60 carbon atoms, both with respect to the positions of the bands and to their intensities. The vibrational spectra of longer chains are practically indistinguishable. The convergence rate depends on the degree of the π conjugation in a studied system: Vibrational spectra for oligoethylenes converge noticeably faster than the spectra for the conjugated systems. Here, the slowest convergence is observed for skeletal motions of the oligomer chains, which may require more than a hundred carbon atoms in the chain to show deviations smaller than 1 cm –1 to the corresponding solid-state calculations. The results suggest that the boundary between the properties of finite and infinite molecular systems fades away for a surprisingly small number of atoms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Development of PBT/Recycled-PET Blends and the Influence of Using Chain Extender

In this study, PBT/recycled-PET blends were developed using a twin-screw extruder. A commercial chain extender (Joncryl ADR 4468) was also used to melt mix with PBT/recycled-PET blend systems. Firstly, Joncryl at different loadings was extruded with recycled-PET to explore the influence of branching on melt behavior and crystallization of PET. The effect of blending recycled-PET with PBT on the final properties was then explored at different blending ratios (25w/75w, 50w/50w and 75w/25w). Similar blends were subsequently prepared while incorporating chain extender. Melt behavior, phase miscibility, crystallization behavior, solid viscoelastic properties, tensile and impact properties of the blends were eventually analyzed using differential scanning calorimeter (DSC), melt flow indexer (MFI), dynamic mechanical analyzer (DMA), and tensile and Izod notched impact testing, respectively. The results showed that the addition of chain extender increased the melt viscosity of PET and at the low contents enhanced the PET’s crystallization rate. On the other hand, the blends of PBT/recycled-PET are fully miscible in the amorphous region whereas the crystalline phases are immiscible subsequent to a fast cooling. The PBT and PET molecules could also co-crystallize and be fully miscible in crystalline phases upon slow cooling of the melt. Blending recycled-PET with PBT didn’t suppress the tensile properties of PBT, however it could enhance the PBT’s ductility and reduce its impact strength. The chain extender didn’t influence the mechanical properties much. Graphical Abstract: .

36 MATERIALS SCIENCE↗
DOE OSTI2016

Traveling waves for the mass in mass model of granular chains

In this work, we consider the mass in mass (or mass with mass) system of granular chains, namely, a granular chain involving additionally an internal (or, respectively, external) resonator. For these chains, we rigorously establish that under suitable “anti-resonance” conditions connecting the mass of the resonator and the speed of the wave, bell-shaped traveling-wave solutions continue to exist in the system, in a way reminiscent of the results proven for the standard granular chain of elastic Hertzian contacts. Finally, we also numerically touch upon settings, where the conditions do not hold, illustrating, in line also with recent experimental work, that non-monotonic waves bearing non-vanishing tails may exist in the latter case.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of Silicon Content on the Hardenability and Mechanical Properties of Link-Chain Steel

Heavy-section link-chains are increasingly required to satisfy industrial demands of shipping, lifting, and mining machinery. In this study, the hardenability of link-chain steels with different Si contents was investigated using end-quench tests. The microstructures of the end-quenched specimens were examined by x-ray diffraction, scanning electron microscopy, and transmission electron microscopy. The mechanical properties were investigated by tension tests and impact tests. The effect of the Si content on the phase-transformation temperature during cooling was analyzed by differential scanning calorimetry. It was found that increasing the Si content from 0.24 to 0.74% led to a significant increase in hardenability; the ideal diameter (i.e., the diameter of given steel that would produce 50% martensite at the center when quenched in a hypothetical quenching medium that reduces the surface temperature of the heated steel to the bath temperature in zero time) increased from 187 to 248 mm. Si enhances the hardenability of link-chain steel by affecting its phase-transition behaviors during cooling, including suppressing ferrite formation, inhibiting carbide precipitation, and lowering the temperature of maximum transformation of bainite. The suggested Si content is 0.70-0.75% to produce link-chain steel with high hardenability and good mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Exotic odd–even parity effects in transmission phase, (Andreev) conductance, and shot noise of a dimer atomic chain by topology

We investigate the transport properties through a finite dimer chain connected to two normal leads or one normal and one superconductor (SC) leads. The dimer chain is described by the Su–Schrieffer–Hegger model and can be tuned into a topologically nontrivial phase with a pair of zero-energy edge states (ZEESs). We find that if the dimer chain is of nontrivial topology, (1) it will show opposite odd–even parity of the number of sites, in comparison with the topologically trivial and plain chains, in the (Andreev) transmission probability at the Fermi energy, the noise Fano factor in the zero bias limit, and even the transmission phase due to the coupled ZEESs; (2) the ZEES can determine appearance of the Andreev bound states at the site connected to the SC lead, and thereby induces a nonzero-bias-anomaly in the Andreev differential conductance of the hybrid junction; (3) the transmission phase of the normal junction has a unique 2π continuous phase variation at the zero-energy resonant peak that is also different from the usual phase shift in resonant point in usual systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

TCR crosslinking promotes Crk adaptor protein binding to tyrosine-phosphorylated CD3ζ chain

T cell antigen receptor (TCR) binding of a peptide antigen presented by antigen-presenting cells (APCs) in the context of surface MHC molecules initiates signaling events that regulate T cell activation, proliferation and differentiation. A key event in the activation process is the phosphorylation of the conserved tyrosine residues within the CD3 chain immunoreceptor tyrosine-based activation motifs (ITAMs), which operate as docking sites for SH2 domain-containing effector proteins. Phosphorylation of the CD3ζ ITAMs renders the CD3 chain capable of binding the ζ-chain associated protein 70 kDa (ZAP70), a protein tyrosine kinase that is essential for T cell activation. We found that TCR/CD3 crosslinking in Jurkat T cells promotes the association of Crk adaptor proteins with the transiently phosphorylated CD3ζ chain. Pull down assays using bead-immobilized GST fusion proteins revealed that the Crk-SH2 domain mediates binding of phospho-CD3ζ. Phospho-CD3ζ binding is selective and is mediated by the three types of Crk, including CrkI, CrkII, and CrkL, but not by other SH2 domain-containing adaptor proteins, such as Grb2, GRAP and Nck. Crk interaction with phospho-CD3ζ is rapid and transient, peaking 1 min post TCR/CD3 crosslinking. The results suggest the involvement of Crk adaptor proteins in the early stages of T cell activation in which Crk might help recruiting effector proteins to the vicinity of the phospho-CD3ζ and contribute to the fine-tuning of the TCR/CD3-coupled signal transduction pathways. - Highlights: • TCR/CD3 crosslinking promotes Crk adaptor protein binding to tyrosine phosphorylated CD3ζ. • Crk interaction with phospho-CD3ζ is mediated by Crk-SH2 binding to CD3ζ phosphotyrosyl residues. • Interaction with phospho-CD3ζ is selective for Crk adaptor proteins. • Crk binding to tyrosine phosphorylated CD3ζ is independent of ZAP70.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Interactions of a potent cyclic peptide inhibitor with the light chain of botulinum neurotoxin A: insights from x-ray crystallography

The seven antigenically distinct serotypes (A to G) of botulinum neurotoxin (BoNT) are responsible for the deadly disease botulism. BoNT serotype A (BoNT/A) exerts its lethal action by cleaving the SNARE protein SNAP-25, leading to inhibition of neurotransmitter release, flaccid paralysis and autonomic dysfunction. BoNTs are dichain proteins: the heavy chain is responsible for neurospecific binding, internalization and translocation, and the light chain is responsible for substrate cleavage. Because of their extreme toxicity and prior history of weaponization, the BoNTs are considered to be potential bioterrorism agents. No post-symptomatic therapeutic interventions are available for BoNT intoxication other than critical care; therefore it is imperative to develop specific antidotes against this neurotoxin. To this end, a cyclic peptide inhibitor (CPI-1) was synthesized and found to inhibit BoNT/A light chain (Balc) with high affinity. When tested in a cell-free Förster resonance excitation transfer (FRET) assay, CPI-1 was found to have a K i of 13.9 nM using full-length Balc448 and 42.1 nM using a truncated crystallizable form of light chain (Balc424). Co-crystallization of CPI-1 with Balc424 revealed that in the Balc-CPI-1 complex, the inhibitor adopts a helical conformation, occupies a high percentage of the active site cavity and interacts in an amphipathic manner with critical active site residues. The data suggest that CPI-1 prevents SNAP-25 from accessing the Balc active site by blocking both the substrate binding path at the surface and the Zn 2+ binding region involved in catalysis. This is in contrast to linear peptide inhibitors described to date which block only the latter

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

A quantile-based scenario analysis approach to biomass supply chain optimization under uncertainty

Supply chain optimization for biomass-based power plants is an important research area due to greater emphasis on renewable power energy sources. Biomass supply chain design and operational planning models are often formulated and studied using deterministic mathematical models. While these models are beneficial for making decisions, their applicability to real world problems may be limited because they do not capture all the complexities in the supply chain, including uncertainties in the parameters. This study develops a statistically robust quantile-based approach for stochastic optimization under uncertainty, which builds upon scenario analysis. We apply and evaluate the performance of our approach to address the problem of analyzing competing biomass supply chains subject to stochastic demand and supply. Finally, the proposed approach was found to outperform alternative methods in terms of computational efficiency and ability to meet the stochastic problem requirements.

09 BIOMASS FUELS↗