SEARCH · Search NASA

Results for “EXCHANGE INTERACTIONS”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,045 records · Page 58

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Self-assembly of aramid amphiphiles into ultra-stable nanoribbons and aligned nanoribbon threads

Small molecule self-assembly is an established route for producing high surface area nanostructures with readily customizable chemistries and precise molecular organization. However, these structures are fragile, exhibiting molecular exchange, migration, and rearrangement - among other dynamic instabilities - and ultimately disassociate upon drying. Here we show a small molecule platform, the aramid amphiphile (AA), that overcomes these dynamic instabilities by incorporating a Kevlar-inspired domain into the molecular structure. Strong, anisotropic interactions between AAs suppress molecular exchange and elicit spontaneous self-assembly in water to form nanoribbons with lengths of up to 20 microns. The nanoribbons have a Young’s modulus of 1.7 GPa and tensile strength of 1.9 GPa. Here, we exploit this stability to extend small molecule self-assembly to hierarchically ordered macroscopic materials outside of solvated environments. Through an aqueous shear alignment process, we organize AA nanoribbons into arbitrarily long flexible threads that support 200 times their weight when dried. Tensile tests of the threads provide a benchmark for Young’s moduli (between ~400 and 600 MPa) and extensibilities (between ~0.6 and 1.1%) that depend on the counterion chemistry in solution. This bottom-up approach to macroscopic materials could benefit solid-state applications, historically inaccessible by self-assembled nanomaterials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2017

The double-soft limit in cosmological correlation functions and graviton exchange effects

The graviton exchange effect on cosmological correlation functions is examined by employing the double-soft limit technique. A new relation among correlation functions that contain the effects due to graviton exchange diagrams in addition to those due to scalar-exchange and scalar-contact-interaction, is derived by using the background field method and independently by the method of Ward identities associated with dilatation symmetry. We compare these three terms, putting small values for the slow-roll parameters and (1− n {sub s} ) ≈ 0.042, where n {sub s} is the scalar spectral index. It is argued that the graviton exchange effects are more dominant than the other two and could be observed in the trispectrum in the double-soft limit. Our observation strengthens the previous work by Seery, Sloth and Vernizzi, in which it has been argued that the graviton exchange dominates in the counter-collinear limit for single field slow-roll inflation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Cavitation Enables Switchable and Rapid Block Polymer Exchange under High-χ N Conditions

Kinetically trapped micelles are a novel platform for diverse emerging applications. However, their homogenization and reproducibility is inherently challenging due to the high-χN barrier toward chain exchange processes. Sonication enables switchable micelle exchange where cavitation leads to exchange and cessation returns micelles to kinetic entrapment. The mechanism was posited to be an agitation induced exchange process similar to recent developments with vortexing. This study reports the first SANS measurements of chain exchange during cavitation induced exchange (CIE). The mixed chain concentration progresses linearly with sonication time, analogous to vortexing. In contrast, the rate of CIE was directly proportional to the polymer concentration. This feature indicates that CIE uniquely overcomes the energetic barriers that reduce exchange rates with other methods. Furthermore, the linear progression with time and direct concentration dependence suggest that exchange is limited by the rate of micelle–bubble interactions. Here, CIE thus supports switchable entrapment with rapid exchange rates, supporting ongoing developments with kinetically controlled micelles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Intricacies of frustrated magnetism in the Kondo metal YbAgGe

The combination of localized magnetic moments, their frustration and interaction with itinerant electrons is a key challenge of condensed matter physics. Frustrated magnetic interactions promote degenerate ground states with enhanced fluctuations, a topic that is predominantly studied in magnetic insulators. The coupling between itinerant and localized electrons in metals add complexity to the problem, and is presently formulated only for extreme cases in which the itinerant electrons mediate exchange between localized spins (RKKY interaction) or suppress the formation of magnetic moments (Kondo screening). Here, we report an in-depth experimental study of the distorted Kagome metal YbAgGe, unravelling the open questions of how frustration, localized magnetism and itinerant electrons are intertwined in frustrated Kondo metals. We find that coupled itinerant and localized electrons give rise to dynamic magnetic correlations below T* ≈ 20 K. At lower temperature, frustrated magnetic interactions establish anisotropic magnetic short-range correlations that culminate into antiferromagnetic long-range order below T N = 0.68 K with a significantly reduced modulated magnetic moment. We show that local moment Hamiltonians can yield limited understanding of the microscopic behaviour in frustrated metals, and prompt the extension of more sophisticated model Hamiltonians incorporating itinerant effects.

Mazzone, Daniel G. [PSI Center for Neutron and Muo↗

NASA NTRSDate not supplied

Computational Evaluation of an OML-based Heat Exchanger Concept for HEATheR

Feasibility of outer mold line (OML) heat exchangers for electrified aircraft is computationally explored for three different aircraft concepts within The High-efficiency Electrified Aircraft Thermal Research (HEATheR) project. OML surface temperature limits were selected based on aluminum-alloy and carbon-fiber composite materials commonly used in transport aircraft. Heat flux distribution over the aircraft OML at the surface temperature limit was evaluated with computational fluid dynamics (CFD) analysis. The candidate OML locations and the size for the implementation of the OML-based heat exchanger is down-selected using this initial analysis and other considerations including the concern for structural integrity and proximity to heat-generating electrical components. The sensitivity of the heat transfer analysis to the computational grid, aircraft angle of attack, surface temperature, and the interaction of individual OML heat exchanger patches were investigated.

CAS↗

DOE OSTI2022

Superconductivity in multiorbital systems with repulsive interactions: Hund's pairing versus spin-fluctuation pairing

Hund's pairing refers to Cooper pairing generated by onsite interactions that become attractive due to large Hund's exchange J. This is possible in multiorbital systems even when all local bare interactions are repulsive, since attractions in specific channels are given by certain linear combinations of interaction parameters. On the other hand, pairing processes such as the exchange of spin fluctuations are also present. We compare mean-field Hund's pairing and spin-fluctuation-mediated pairing using electronic bands appropriate for different classes of multiorbital systems over a wide range of interaction parameters. We find that, for systems without clear nesting features, the superconducting state generated by the Hund's mechanism agrees well with that from the full fluctuation exchange vertex when Hund's exchange and spin-orbit coupling are sufficiently large. On the other hand, for systems characterized by a peaked finite-momentum particle-hole susceptibility, spin-fluctuation pairing generally dominates over Hund's pairing. From this perspective Hund's pairing states appear unlikely to be realized in systems like Sr 2 RuO 4 and generic iron-based superconductors.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Underground sources of drinking water chemistry changes in response to potential CO 2 leakage

The purpose of this study was to quantify changes to underground sources of drinking water (USDW) quality in response to potential CO 2 leakage from geologic CO 2 sequestration (GCS) reservoirs. Here, the developed a framework of combined laboratory experiments and reactive transport simulations and used this framework to evaluate the Ogallala aquifer overlying the Farnsworth Unit (FWU), an active GCS site, as a case study. Using chemical reaction parameters obtained from laboratory experiments and numerical simulations, site-specific mechanisms of CO 2 -water-sediment interactions at the USDW aquifer were interpreted. Long-term risks of potential CO 2 leakage were then evaluated with field-scale numerical models using the regional hydrogeological characteristics and reaction parameters obtained from our experiments and simulations. Results suggest that carbonate mineral impurity and cation exchange are key mechanisms for interactions between CO 2 and the aquifer sediment. Additionally, for a large leakage rate of 0.1 % injection from one leaky well, the leakage plume might impact an area of 300 m in diameter and significantly affect the local water quality by changing pH and cation concentrations (e.g., Zn, Ba and Sr). After leakage ceases, the zone of impacted fluids would not migrate significantly in subsequent decades due to a low regional groundwater flowrate (for this case study). The relatively small area of impact might not be detected in a monitoring well given the broader spacing in a typical field scenario. Effective early leakage detection may require additional tools, e.g., borehole CO 2 movement, four-dimensional seismicity, CO 2 soil flux, samples from deeper aquifers, etc., to ensure effective leakage detection and long-term safety of GCS projects.

58 GEOSCIENCES↗

DOE OSTI2022

Relaxation and darkening of excitonic complexes in electrostatically doped monolayer $\mathrm{WSe_2}$: Roles of exciton-electron and trion-electron interactions

Here we present photoluminescence measurements in monolayer $\mathrm{WSe_2}$, which point to the importance of the interaction between charged particles and excitonic complexes. The theoretical analysis highlights the key role played by exchange scattering, referring to cases wherein the particle composition of the complex changes after the interaction. For example, exchange scattering renders bright excitonic complexes dark in monolayer $\mathrm{WSe_2}$ on accounts of the unique valley-spin configuration in this material. In addition to the ultrafast energy relaxation of hot excitonic complexes following their interaction with electrons or holes, our analysis sheds light on several key features that are commonly seen in the photoluminescence of this monolayer semiconductor. In particular, we can understand why the photoluminescence intensity of the neutral bright exciton is strongest when the monolayer is hole doped rather than charge neutral or electron doped. Similarly, we can understand the reason for the dramatic increase of the photoluminescence intensity of negatively charged excitons (trions) as soon as electrons are added to the monolayer. To self-consistently explain the findings, we further study the photoluminescence spectra at different excitation energies and analyze the behavior of the elusive indirect exciton.

36 MATERIALS SCIENCE↗

DOE OSTI2021

A new and alternative look at nonlinear Alfvénic states

The formulation for studying nonlinear Alfvenic states, sustainable in Hall Magnetohydrodynamics (HMHD), becomes considerably simpler and more tractable when circularly polarized Beltrami vectors (the eigenstates of linear HMHD) are used as the basis functions. Nonlinear HMHD is, then, reduced to a rather simple looking set of scalar equations from which a model problem of three interacting Beltrami modes is formulated and analytically solved. The triplet interactions span a variety of familiar nonlinear processes leading to a redistribution as well as periodic exchange of energy. The energy exchange processes (whose strength is measured by an energy exchange/depletion time) will, perhaps, play a dominant role in determining the spectral content of an eventual Alfvenic state. All nonlinearities (sensitive functions of the interacting wave vectors) operate at par, and none is dominant over any substantial region of k-space; their intricate interplay prevents a “universal” picture from emerging; few generalizations on the processes that may, for instance, lead to a turbulent state, are possible. However, the theory can definitely claim: (1) the energy tends to flow from lower to higher k and (2) the higher k z (in the direction of the ambient magnetic field) components of a mode with a given k are depleted/oscillate faster—in some cases much faster. It is noteworthy that the mode coupling is the strongest (with the shortest depletion time) when the participating wave vectors are nearly perpendicular; perhaps, an expected consequence of the curl (cross product) nonlinearities. Numerical simulations will be necessary to help create a fully reliable picture.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

A non-perturbative pairwise-additive analysis of charge transfer contributions to intermolecular interaction energies

Energy decomposition analysis (EDA) based on absolutely localized molecular orbitals (ALMOs) decomposes the interaction energy between molecules into physically interpretable components like geometry distortion, frozen interactions, polarization, and charge transfer (CT, also sometimes called charge delocalization) interactions. In this work, a numerically exact scheme to decompose the CT interaction energy into pairwise additive terms is introduced for the ALMO-EDA using density functional theory. Unlike perturbative pairwise charge-decomposition analysis, the new approach does not break down for strongly interacting systems, or show significant exchange–correlation functional dependence in the decomposed energy components. Both the energy lowering and the charge flow associated with CT can be decomposed. Complementary occupied–virtual orbital pairs (COVPs) that capture the dominant donor and acceptor CT orbitals are obtained for the new decomposition. It is applied to systems with different types of interactions including DNA base-pairs, borane-ammonia adducts, and transition metal hexacarbonyls. While consistent with most existing understanding of the nature of CT in these systems, we report the results also reveal some new insights into the origin of trends in donor–acceptor interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Mechanism of anion exchange and small-molecule inhibition of pendrin

Pendrin (SLC26A4) is an anion exchanger that mediates bicarbonate (HCO 3 - ) exchange for chloride (Cl-) and is crucial for maintaining pH and salt homeostasis in the kidney, lung, and cochlea. Pendrin also exports iodide (I - ) in the thyroid gland. Pendrin mutations in humans lead to Pendred syndrome, causing hearing loss and goiter. Inhibition of pendrin is a validated approach for attenuating airway hyperresponsiveness in asthma and for treating hypertension. However, the mechanism of anion exchange and its inhibition by drugs remains poorly understood. We applied cryo-electron microscopy to determine structures of pendrin from Sus scrofa in the presence of either Cl - , I - , HCO 3 - or in the apo-state. The structures reveal two anion-binding sites in each protomer, and functional analyses show both sites are involved in anion exchange. The structures also show interactions between the Sulfate Transporter and Anti-Sigma factor antagonist (STAS) and transmembrane domains, and mutational studies suggest a regulatory role. We also determine the structure of pendrin in a complex with niflumic acid (NFA), which uncovers a mechanism of inhibition by competing with anion binding and impeding the structural changes necessary for anion exchange. These results reveal directions for understanding the mechanisms of anion selectivity and exchange and their regulations by the STAS domain. This work also establishes a foundation for analyzing the pathophysiology of mutations associated with Pendred syndrome.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Bacterial exometabolites influence Chlamydomonas cell cycle and double algal productivity

Algal-bacterial interactions provide clues to algal physiology, but mutualistic interactions are complicated by dynamic exchange. In this study, we characterized the response of Chlamydomonas reinhardtii to the presence of a putative alga-benefitting commensal bacterium ( Arthrobacter strain ‘P2b’). Co-cultivation promoted chlorophyll content, biomass, average cell size, and number of dividing cells, relative to axenic cultures. Addition of bacterial spent medium (whole, size-fractionated and heat-treated) had similar effects, indicating P2b does not require algal interaction to promote growth. Nutrients and pH were excluded as putative effectors, collectively indicating a commensal interaction mediated by Arthrobacter -released small exometabolite(s). Proteogenomic comparison revealed similar response to co-cultivation and spent media, including differential cell cycle regulation, extensive downregulation of flagellar genes and histones, carbonic anhydrase and RubisCO downregulation, upregulation of some chlorophyll, amino acid and carbohydrate biosynthesis genes, and changes to redox and Fe homeostasis. Further, Arthrobacter protein expression indicated some highly expressed putative secondary metabolites. Together, these results revealed that low molecular weight bacterial metabolites can elicit major physiological changes in algal cell cycle regulation, perhaps through a more productive G1 phase, that lead to substantial increases in photosynthetically-produced biomass. This work illustrates that model commensal interactions can be used to shed light on algal response to stimulating bacteria.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Dynamic response of photorespiration in fluctuating light environments

Abstract Photorespiration is a dynamic process that is intimately linked to photosynthetic carbon assimilation. There is a growing interest in understanding carbon assimilation during dynamic conditions, but the role of photorespiration under such conditions is unclear. In this review, we discuss recent work relevant to the function of photorespiration under dynamic conditions, with a special focus on light transients. This work reveals that photorespiration is a fundamental component of the light induction of assimilation where variable diffusive processes limit CO2 exchange with the atmosphere. Additionally, metabolic interactions between photorespiration and the C3 cycle may help balance fluxes under dynamic light conditions. We further discuss how the energy demands of photorespiration present special challenges to energy balancing during dynamic conditions. We finish the review with an overview of why regulation of photorespiration may be important under dynamic conditions to maintain appropriate fluxes through metabolic pathways related to photorespiration such as nitrogen and one-carbon metabolism.

Plant Sciences↗

DOE OSTI2018

Magnetic Properties of SiC Monolayer with Different Nonmagnetic Metal Dopants

Magnetic properties of nonmagnetic metal-doped SiC monolayer are studied by the first-principle methods. Different dopants (Al, Ga, Li, Mg, and Na) and doping sites are considered. Similar as transition metal (TM) atoms, magnetic behavior appears in Li-, Mg-, and Na-doped system. In addition, according to the calculated binding energies, the Mg-doped system is the most stable-formed system among the above three magnetic materials. Hence, we study the ferromagnetic interaction in two Mg-doped SiC monolayer. Interestingly, as the increasing Mg–Mg distance, the interaction between two Mg dopants prefers to a long-range FM coupling, which originates from a p-d exchange-like s-p coupling interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Interface magnetization transition via minority spin injection

The interface magnetization of n-type BaTiO 3 /La 0.7 Sr 0.3 MnO 3 heterojunction is selectively probed by magnetic second-harmonic generation at 80 K. Additionally, the injection of minority spins at the interface causes a sudden, reversible transition of the spin alignment of interfacial Mn ions from ferromagnetic to antiferromagnetic exchange coupled, while the bulk magnetization remains unchanged. We attribute the emergent interfacial antiferromagnetic interactions to weakening of the double-exchange mechanism caused by the strong Hund’s rule coupling between injected minority spins and local magnetic moments. Lastly, the effect is robust and may serve as a viable route for electronic and spintronic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Role of nonmagnetic spacers in the magnetic interactions of antiferromagnetic topological insulators MnBi 4 ⁢Te 7 and MnBi 2 ⁢Te 4

MnBi 4 ⁢Te 7 belongs to a family of antiferromagnetic topological insulators. It forms a natural heterostructure of magnetic (septuple) and nonmagnetic (quintuple) topological blocks. Here, we explore the magnetism and magnetic interactions in this compound using inelastic neutron scattering. We find that the interlayer magnetic coupling is much weaker in MnBi 4 ⁢Te 7 as compared to MnBi 2⁢ Te 4 due to the insertion of nonmagnetic quintuple layers in the former. However, other key magnetic energy scales residing within a single septuple block, the single-ion anisotropy and long-range intralayer exchanges, are essentially the same. In conclusion, this identifies a transferable set of magnetic interactions applicable to the extended family of magnetic topological insulators based on MnBi 2 ⁢Te 4 –Bi 2 ⁢Te 3 heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Two-pion exchange as a leading-order contribution in chiral effective field theory

Pion exchange is the central ingredient to nucleon-nucleon interactions used in nuclear structure calculations, and one-pion exchange (OPE) enters at leading order in chiral effective field theory. In the 2S+1 L J = 1 S 0 partial wave, however, OPE and a contact term needed for proper renormalization fail to produce the qualitative, and quantitative, features of the scattering phase shifts. Cutoff variation also revealed a surprisingly low breakdown momentum Λ b ≈ 330 MeV in this partial wave. Here we show that potentials consisting of OPE, two-pion exchange (TPE), and a single contact address these problems and yield accurate and renormalization group (RG) invariant phase shifts in the 1 S 0 partial wave. Here, we demonstrate that a leading-order potential with TPE can be systematically improved by adding a contact quadratic in momenta. For momentum cutoffs Λ ≲ 500 MeV, the removal of relevant physics from TPE loops needs to be compensated by additional contacts to keep RG invariance. Inclusion of the Δ isobar degree of freedom in the potential does not change the strong contributions of TPE.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2019

Surface-Catalyzed Oxygen Exchange during Mineral Carbonation in Nanoscale Water Films

Properties of nanoconfined adsorbed H2O on mineral surfaces are distinct from those of bulk H2O, and this can lead to significant differences in reactivity. Here, we investigate how O-exchange between H2O and CO2 depends on the thickness of H2O films on the mineral, forsterite (Mg2SiO4), which is reactive towards carbonation. Rates of O-exchange measured using O-isotopic tracers and infrared spectroscopy increase with adsorbed H2O concentration and are two orders of magnitude faster than for the previously studied inert substrate, fumed silica (SiO2). Theoretical calculations demonstrate that O exchange can be catalyzed through interactions with active Mg2+ sites that lower the barrier for carbonic acid formation. These active metal centers exist as =Mg-bicarbonate surface complexes or dissolved Mg2+ with predominantly bicarbonate counter ions, as evidenced by infrared and nuclear magnetic resonance spectroscopies. Intermolecular proton hopping to bicarbonate can form a carbonic acid complex that readily decomposes to CO2 and H2O, leading to O-isotope scrambling. Unlike fumed silica, we find no evidence that adsorbed H2O film structure dictates O-exchange rates. On the contrary, it is mainly =Mg-bicarbonate surface complexes that are the key players in metal-center catalyzed O-isotope scrambling.

Miller, Quin RS↗