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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Shape-persistent ladder molecules exhibit nanogap-independent conductance in single-molecule junctions

Molecular electronic devices require precise control over the flow of current in single molecules. However, the electron transport properties of single molecules critically depend on dynamic molecular conformations in nanoscale junctions. Here, in this work, we report a unique strategy for controlling molecular conductance using shape-persistent molecules. Chemically diverse, charged ladder molecules, synthesized via a one-pot multicomponent ladderization strategy, show a molecular conductance (d[log( G/G 0 )]/d x ≈ -0.1 nm -1 ) that is nearly independent of junction displacement, in stark contrast to the nanogap-dependent conductance (d[log( G/G 0 )]/d x ≈ -7 nm -1 ) observed for non-ladder analogues. Ladder molecules show an unusually narrow distribution of molecular conductance during dynamic junction displacement, which is attributed to the shape-persistent backbone and restricted rotation of terminal anchor groups. These principles are further extended to a butterfly-like molecule, thereby demonstrating the strategy's generality for achieving gap-independent conductance. Overall, our work provides important avenues for controlling molecular conductance using shape-persistent molecules. Achieving robust and controllable conductance in single-molecule junctions is challenging due to the dynamic nature of molecular conformations that fluctuate over operational timescales. A strategy using shape-persistent molecules has now been developed that demonstrates nearly junction-displacement-independent conductance, providing a stable solution for single-molecule electronic properties.

molecular electronics↗
DOE OSTI2023

Worth More Dead than Alive? Quantifying Necromass Persistence for Terrestrial Carbon Storage

The continuous cycle of plant-associated microbial biomass growth, death, and decay provides a consistent supply of necromass-C throughout the rooting zone of the soil profile. These inputs are obviously important for resource allocation and soil quality, but microbial necromass-C may play a critical, but currently unknown, role in mitigating the impacts of climate change through atmospheric decarbonization. Microbial necromass is the largest terrestrial sink of persistent carbon in soils, thus its fate and preservation will have a major impact on global C budgets. Our current understanding of the ecosystem controls on necromass generation, biogeochemical transformation, and stabilization is lacking. The objective of this project is to explore the specific influence of rhizosphere and necromass inputs on soil carbon pools.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Timing Value of Marine Renewable Energy Resources for Potential Grid Applications

In this paper, the applicability of marine renewable energy for potential grid applications is presented. We show that many of the unique value streams from marine-based electricity generation stem from their inherent temporal characteristics, especially when compared to wind and solar. Specifically, in this work, we evaluate the timing value for three types of marine energy resources - (a) tidal (b) wave and (c) ocean currents. Firstly, through a suite of novel metrics such as resource availability, persistence and versatility, we evaluate the temporal value characteristics of these resources. Secondly, through a more grid-oriented numerical study, we comment on the potential ramifications of those temporal characteristics in context of energy balancing and effective load carrying capability, for one marine-based resource i.e. wave. Subsequently, we further our understanding of the relative advantages which may be leveraged by operating wave-based generation resources in tandem with more established renewable choices, such as solar and wind. Our results indicate that compared to wind and solar, marine energy resources are consistently more available and persistent on an hourly level, throughout an entire year of operation. In addition to this, wave resources are also seen to reduce both the magnitudes and the degree of volatility in balancing requirements within the power system. Our work not only focuses on sites specific to the Unites States (US), but also includes a parallel study for a location in Great Britain (GB). Results are found to be consistent for sites in both the US and GB, implying that the grid benefits discussed in this work could apply to a number of locations globally.

Bhattacharya, Saptarshi↗
DOE OSTI2022

Electrical Gating of the Charge-Density-Wave Phases in Two-Dimensional h -BN/1T-TaS 2 Devices

Here we report on the electrical gating of the chargedensity- wave phases and current in h-BN-capped three-terminal 1T-TaS 2 heterostructure devices. It is demonstrated that the application of a gate bias can shift the source–drain current– voltage hysteresis associated with the transition between the nearly commensurate and incommensurate charge-density-wave phases. The evolution of the hysteresis and the presence of abrupt spikes in the current while sweeping the gate voltage suggest that the effect is electrical rather than self-heating. We attribute the gating to an electric-field effect on the commensurate charge-density-wave domains in the atomic planes near the gate dielectric. The transition between the nearly commensurate and incommensurate charge-density-wave phases can be induced by both the source– drain current and the electrostatic gate. Since the charge-densitywave phases are persistent in 1T-TaS 2 at room temperature, one can envision memory applications of such devices when scaled down to the dimensions of individual commensurate domains and few-atomic plane thicknesses.

2D van der Waals materials↗
DOE OSTI2020

Metabolic Response in Patients With Post-treatment Lyme Disease Symptoms/Syndrome

Abstract Background Post-treatment Lyme disease symptoms/syndrome (PTLDS) occurs in approximately 10% of patients with Lyme disease following antibiotic treatment. Biomarkers or specific clinical symptoms to identify patients with PTLDS do not currently exist and the PTLDS classification is based on the report of persistent, subjective symptoms for ≥6 months following antibiotic treatment for Lyme disease. Methods Untargeted liquid chromatography–mass spectrometry metabolomics was used to determine longitudinal metabolic responses and biosignatures in PTLDS and clinically cured non-PTLDS Lyme patients. Evaluation of biosignatures included (1) defining altered classes of metabolites, (2) elastic net regularization to define metabolites that most strongly defined PTLDS and non-PTLDS patients at different time points, (3) changes in the longitudinal abundance of metabolites, and (4) linear discriminant analysis to evaluate robustness in a second patient cohort. Results This study determined that observable metabolic differences exist between PTLDS and non-PTLDS patients at multiple time points. The metabolites with differential abundance included those from glycerophospholipid, bile acid, and acylcarnitine metabolism. Distinct longitudinal patterns of metabolite abundance indicated a greater metabolic variability in PTLDS versus non-PTLDS patients. Small numbers of metabolites (6 to 40) could be used to define PTLDS versus non-PTLDS patients at defined time points, and the findings were validated in a second cohort of PTLDS and non-PTLDS patients. Conclusions These data provide evidence that an objective metabolite-based measurement can distinguish patients with PTLDS and help understand the underlying biochemistry of PTLDS.

Immunology↗
DOE OSTI2021

Large ecosystem-scale effects of restoration fail to mitigate impacts of land-use legacies in longleaf pine savannas

Ecological restoration is a global priority, with potential to reverse biodiversity declines and promote ecosystem functioning. Yet, successful restoration is challenged by lingering legacies of past land-use activities, which are pervasive on lands available for restoration. Although legacies can persist for centuries following cessation of human land uses such as agriculture, we currently lack understanding of how land-use legacies affect entire ecosystems, how they influence restoration outcomes, or whether restoration can mitigate legacy effects. Using a large-scale experiment, we evaluated how restoration by tree thinning and land-use legacies from prior cultivation and subsequent conversion to pine plantations affect fire-suppressed longleaf pine savannas. In this work, we evaluated 45 ecological properties across four categories: 1) abiotic attributes, 2) organism abundances, 3) species diversity, and 4) species interactions. The effects of restoration and land-use legacies were pervasive, shaping all categories of properties, with restoration effects roughly twice the magnitude of legacy effects. Restoration effects were of comparable magnitude in savannas with and without a history of intensive human land use; however, restoration did not mitigate numerous legacy effects present prior to restoration. As a result, savannas with a history of intensive human land use supported altered properties, especially related to soils, even after restoration. The signature of past human land-use activities can be remarkably persistent in the face of intensive restoration, influencing the outcome of restoration across diverse ecological properties. Understanding and mitigating land-use legacies will maximize the potential to restore degraded ecosystems.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Kinetic Effects of Anion Clusters on the Interfacial Stability between Solid-State Electrolyte and Metal Anode

The success of all-solid-state batteries (ASSBs) depends on the solid-state electrolyte (SSE) exhibiting high interfacial stability and room-temperature ionic conductivity. However, the current SSEs, especially those with practical ionic conductivities (≥10 –3 S/cm) at room temperature, often develop unstable interfaces at the metal anode, in some cases with even greater severity than with liquid organic electrolytes. Despite persistent efforts, achieving interfacial stability and sufficient ionic conductivity simultaneously represents one of the greatest challenges in ASSBs. The current approaches focus on stabilizing the interface by incorporating secondary interlayers or introducing coatings by surface engineering. The method is often material-specific, and the added interlayers often deteriorate during cycling. In this work, using phase analysis and explicit interface modeling, we demonstrate a strategy to kinetically stabilize the interface between the SSE and metal anode by incorporating selected monoanion clusters in the SSE; they can effectively lower or even halt the reduction kinetics at the interface by promoting on-site formation of interphases that are highly electron insulating. The study provides insight into the kinetic effects to achieve SSEs with superior properties in bulk and at the interface.

25 ENERGY STORAGE↗
DOE OSTI2025

Environmental life cycle of fentanyl: From the cradle to an unknown grave

The lack of available information on the presence and persistence of fentanyl in the environment is a significant gap in the technical literature. Although the origins of the opioid in the environment are well-known because they follow the same pathways of other drug-related environmental contaminants, the downstream effects of fentanyl in the water supply and its retention in soil are less understood. The characterization of fentanyl and its potential degradation products in complex environmental samples such as soil is severely understudied. Very few articles are available that work to identify fentanyl and its degradation products in complex samples or name the possible hazards that may result from environmental exposure and degradation. Therefore, the objectives were to identify available articles focused on environmental fentanyl and its pathways and highlight quantifiable research or results that included specific degradation products or downstream effects. Research articles focused on fentanyl between 2000 and 2024 were identified and reviewed and then filtered using Boolean search terms for environmental parameters. Various studies have determined that trace levels of fentanyl can be found in a variety of environments, and additional data suggest preferential partitioning into soils from water and long-term persistence. Despite this knowledge, very little data exists on the long-term downstream effects of fentanyl or its analogs. As the chronic effects from low-level fentanyl exposure are currently unknown, this lack of insight brings to the forefront the need for further research to improve our understanding of fentanyl persistence, degradation, and toxicity within the environment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Large Local Currents in a Lithium-Ion Battery during Rest after Fast Charging

Increasing electric vehicle (EV) adoption requires lithium-ion batteries that can be charged quickly and safely. Some EV batteries have caught on fire despite being neither charged nor discharged. While the lithium that plates on graphite during fast charging affects battery safety, so do the internal ionic currents that can occur when the battery is at rest after charging. These currents are difficult to quantify; the external current that can readily be measured is zero. Here we study a graphite electrode at rest after 6C fast charging using operando X-ray microtomography. We quantify spatially resolved current density distributions that originate at plated lithium and end in underlithiated graphite particles. The average current densities decrease from 1.5 to 0.5 mA cm -2 in about 20 min after charging is stopped. Surprisingly, the range of the stripping current density is independent of time, with outliers above 20 mA cm -2 . In conclusion, the persistence of outliers provides a clue as to the origin of catastrophic failure in batteries at rest.

25 ENERGY STORAGE↗
DOE OSTI2024

Precision Agriculture using Networks of Degradable Analytical Sensors (PANDAS) (Final Technical Report)

Precision agriculture, where sensing of soil, environment and crop conditions are used to precisely synchronize inputs (such as water and fertilizer) to crop needs enhances input use efficiency. This can improve yields and farm profitability while mitigating environmental losses, improving soil carbon content and substantially decreasing energy use for food, feed and fuel crops. Unfortunately, farmers are not yet able to harness the full potential of these management technologies as there is a lack of available management information, and there is therefore a need for sensors that are able to economically measure spatio-temporal variability in soil and crop properties of extremely heterogeneous farm fields precisely at high resolution and at low cost. Real-time, in-situ monitoring of agricultural soil conditions is today carried out using devices that limit the total number of nodes that can be used economically to typically one per acre or less. Higher spatio-temporal resolution sensing would enable more precise agricultural input optimization, with significant benefits to the farmer and the environment. In order to address this issue, this project focused on developing additively manufactured, biodegradable, soil sensors with predicted costs of < $\$$1 per unit to monitor crop inputs (such as water and fertilizer) that predictably, harmlessly degrade away into the soil when no longer needed. These sensor nodes should be easy to place, accurately and continuously monitor soil and crop conditions for an entire season, be read remotely using existing farm equipment, require no ongoing maintenance, not impede farm operations and produce no persistent waste. This approach could enable a >100× increase in information density over current solutions for precision farming of row and other crops, and lead to significant reductions in input energy use and provide increased yield for biofuel crops. Over the course of this project the team at the University of Colorado Boulder, University of California Berkeley, and Colorado State University/Kansas State University investigated a wide range of printable biodegradable electronic materials and sensor designs for determining soil moisture and soil nitrate concentration. These efforts expanded the available materials set for printed soil degradable electronic materials, particularly for conductors, enabling high conductivity and stability. Printed soil moisture and nitrate sensors with suitable sensitivity and selectivity were developed and characterized. Low power and passive wireless electronic systems were integrated with the soil sensors, and testing was carried out with completed sensors to understand their functionality under agricultural conditions. Additionally, other sensor types enabled by the biodegradable materials set created during this project, such as soil microbial activity sensors, were also developed and demonstrated. Project outputs include 10 peer reviewed publications, 4 patent applications, 21 technical presentations, 3 PhD thesis, 10 media reports, 8 additional grants worth over $\$$6M, and the formation of 3 start-up companies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Room temperature persisting surface charge carriers driven by intense terahertz electric fields in a topological insulator Bi 2 Se 3

Topologically protected surface current is highly promising for next-generation low-dissipation and disorder-tolerant quantum electronics and computing. Yet, electric transport from the co-existing bulk state dominates the responses of the Dirac surface state, especially at elevated temperatures relevant to technological applications. Here, we present an approach that convincingly showcases the generation, disentanglement, and precise control of enduring surface charge carriers on a topological insulator, Bi 2 Se 3 , with high bulk conductivity, all achieved at room temperature. By using pump–probe modulation spectroscopy under ultrabroadband driving tunable from 4 meV to 1.55 eV, we show the terahertz (THz) field-induced surface carriers by discovering their initial temporal responses dominant over high density trivial bulk carriers. Strikingly, the response of the induced surface carrier responses persists for more than ~5 ps and is enhanced by reducing pump photon energy. The dynamics and lifetime of the distinct surface response manifest themselves as the enhanced THz pump-induced THz transmission, which directly correlates with the transient negative THz conductivity. Increasing the THz driving field reduces the induced surface carrier lifetime and identifies, particularly, an optimal pump field of E s ~ 224 kV cm -1 for generating the dominant surface response relative to the bulk. This surface carrier dominant regime is suppressed by a joint effect of enhanced surface-bulk scattering and a more rapid saturation of surface excitation compared to the bulk that sets in above E s . The controllability of room temperature topologically surface carriers through pump photon energy offer compelling possibilities for extending this approach to other topological complex materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Universal transport in periodically driven systems without long-lived quasiparticles

An intriguing regime of universal charge transport at high entropy density has been proposed for periodically driven interacting one-dimensional systems with Bloch bands separated by a large single-particle band gap. For weak interactions, a simple picture based on well-defined Floquet quasiparticles suggests that the system should host a quasisteady state current that depends only on the populations of the system's Floquet-Bloch bands and their associated quasienergy winding numbers. Here we show that such topological transport persists into the strongly interacting regime where the single-particle lifetime becomes shorter than the drive period. Analytically, we show that the value of the current is insensitive to interaction-induced band renormalizations and lifetime broadening when certain conditions are met by the system's nonequilibrium distribution function. We show that these conditions correspond to a quasisteady state. We support these predictions through numerical simulation of a system of strongly interacting fermions in a periodically modulated chain of Sachdev-Ye-Kitaev dots. Our paper establishes universal transport at high entropy density as a robust far from equilibrium topological phenomenon, which can be readily realized with cold atoms in optical lattices. Published by the American Physical Society 2024

Esin, Iliya (ORCID:0000000329590617)↗
DOE OSTI2021

Meeting global challenges with regenerative agriculture producing food and energy

The world currently faces a suite of urgent challenges: environmental degradation, diminished biodiversity, climate change and persistent poverty and associated injustices. All of these challenges can be addressed to a large extent through agriculture. A dichotomy expressed as ‘food versus fuel’ has misled thinking and hindered needed action towards building agricultural systems in ways that are regenerative, biodiverse, climate resilient, equitable and economically sustainable. Here we offer examples of agricultural systems that meet the urgent needs while also producing food and energy. Furthermore, we call for refocused conversation and united action towards rapidly deploying such systems across biophysical and socioeconomic settings.

09 BIOMASS FUELS↗
DOE OSTI2025

Soil carbon formation is promoted by saturation deficit and existing mineral-associated carbon, not by microbial carbon-use efficiency

Mineral-associated organic carbon (MAOC) is the largest terrestrial pool of organic carbon, yet controls on its formation remain unresolved. Existing MAOC is thought to preclude additional C storage on minerals, but this perspective is difficult to reconcile with observations that MAOC stacks in multilayers, suggesting that existing MAOC could promote greater C retention. Here, in a manipulative experiment using 118 soils from 15 agricultural sites across the United States, we show that MAOC formation is promoted by both existing MAOC and its counterpart—MAOC saturation deficit. The positive effect of existing MAOC on the formation of new MAOC persists after accounting for soil physicochemical properties that covary with MAOC. In contrast with current theory, we found that MAOC formation was not clearly influenced by microbial carbon-use efficiency (CUE). Our findings demonstrate that existing MAOC and saturation deficit, not microbial CUE, are key to determining new MAOC formation in agricultural soils.

King, Alison E. [Colorado State Univ., Fort Collin↗
DOE OSTI2022

Low-temperature mineralization of perfluorocarboxylic acids

Per- and polyfluoroalkyl substances (PFAS) are persistent, bioaccumulative pollutants found in water resources at concentrations harmful to human health. Whereas current PFAS destruction strategies use nonselective destruction mechanisms, we found that perfluoroalkyl carboxylic acids (PFCAs) could be mineralized through a sodium hydroxide–mediated defluorination pathway. PFCA decarboxylation in polar aprotic solvents produced reactive perfluoroalkyl ion intermediates that degraded to fluoride ions (78 to ~100%) within 24 hours. The carbon-containing intermediates and products were inconsistent with oft-proposed one-carbon-chain shortening mechanisms, and we instead computationally identified pathways consistent with many experiments. Degradation was also observed for branched perfluoroalkyl ether carboxylic acids and might be extended to degrade other PFAS classes as methods to activate their polar headgroups are identified.

Science & Technology - Other Topics↗
DOE OSTI2021

Altered ß-cell Prohormone Processing and Secretion in Type 1 Diabetes

Analysis of data from clinical cohorts and more recently from human pancreatic tissue, indicate that defects in prohormone processing are an early and persistent component of type 1 diabetes pathogenesis. In this Perspectives article, we review the current state of knowledge of alterations in islet prohormone expression and processing in type 1 diabetes, and consider the clinical impact of these findings. Lingering questions, including pathologic etiologies and consequences of altered prohormone expression and secretion in type 1 diabetes, and the natural history of circulating prohormone production in health and disease are considered. Finally, key steps required to move forward in this area are outlined, including longitudinal testing of relevant clinical populations, studies that probe the genetics of altered prohormone processing, the need for combined functional and histologic testing of human pancreatic tissues, continued interrogation of the intersection between prohormone processing and autoimmunity, and optimal assays or approaches for analysis. Successful resolution of these questions may offer the potential to use altered prohormone processing as a pathogenic anchor that can be used to cluster different endotypes enveloping a large set of variables, and inform therapeutic strategies aimed at personalized intervention in the natural history of type 1 diabetes.

Islets, Insulin, Proinsulin, Islet Amyloid Polypep↗
DOE OSTI2023

Pollen and Bio-Soiling in the Southeast U.S.

Typical PV soiling models presume that soiling follows a sawtooth pattern: linear soiling during dry periods followed by abrupt recovery or cleaning during rainfall events. Due to frequency of rainfall in the in the eastern U.S. sawtooth soiling models report near zero soiling losses in this region. Alternatively, through work with system owner/operators per NREL's PVfleet project it has become clear that there are systems in the Southeast that have soiled as high as 10% which are not recovering with regular rainfall. The current hypothesis is that sticky soiling due to pollen or other biological sources is persistent to rainfall removal. Field data and the latest progress towards de-risking bio-soiling will be presented.

photovoltaic↗