Search NASA⌕ Search

SEARCH · Search NASA

Results for “PAIRING 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.

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

At least 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

High Temperature Polymer Electrolyte Membrane Fuel Cells with High Phosphoric Acid Retention

Phosphoric acid loss poses immense hurdles for the durability of high-temperature polymer electrolyte membrane fuel cells (HT-PEMFCs). Here we report quaternary ammonium-biphosphate ion-pair HT-PEMFCs that do not lose phosphoric acids under normal and accelerated stress conditions. Additionally, our energetics study explains the acid loss behavior of the conventional phosphoric acid-polybenzimidazole (PA-PBI) system by two mechanisms. If PA loss occurs via acid evaporation, the acid loss is constant over time. On the other hand, when water activity in the PA-PBI system is high, exponential decay of PA loss occurs via the water replacement mechanism. Combined 31 P NMR and computational studies show that the proposed ion-pair system has six times higher interaction energy, which allows for containing all PAs in the membrane electrode assemblies under a broad range of operating conditions. In addition, polar interactions between the phosphonic acid ionomer and phosphoric acid explain acid retention in the electrodes of the ion-pair HT-PEMFCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Hydrodynamic and kinetic models for spin-1/2 electron-positron quantum plasmas: Annihilation interaction, helicity conservation, and wave dispersion in magnetized plasmas

We discuss the complete theory of spin-1/2 electron-positron quantum plasmas, when electrons and positrons move with velocities mach smaller than the speed of light. We derive a set of two fluid quantum hydrodynamic equations consisting of the continuity, Euler, spin (magnetic moment) evolution equations for each species. We explicitly include the Coulomb, spin-spin, Darwin and annihilation interactions. The annihilation interaction is the main topic of the paper. We consider the contribution of the annihilation interaction in the quantum hydrodynamic equations and in the spectrum of waves in magnetized electron-positron plasmas. We consider the propagation of waves parallel and perpendicular to an external magnetic field. We also consider the oblique propagation of longitudinal waves. We derive the set of quantum kinetic equations for electron-positron plasmas with the Darwin and annihilation interactions. We apply the kinetic theory to the linear wave behavior in absence of external fields. We calculate the contribution of the Darwin and annihilation interactions in the Landau damping of the Langmuir waves. We should mention that the annihilation interaction does not change number of particles in the system. It does not related to annihilation itself, but it exists as a result of interaction of an electron-positron pair via conversion of the pair into virtual photon. A pair of the non-linear Schrodinger equations for the electron-positron plasmas including the Darwin and annihilation interactions is derived. Existence of the conserving helicity in electron-positron quantum plasmas of spinning particles with the Darwin and annihilation interactions is demonstrated. We show that the annihilation interaction plays an important role in the quantum electron-positron plasmas giving the contribution of the same magnitude as the spin-spin interaction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Democratization of fungal highway columns as a tool to investigate bacteria associated with soil fungi

ABSTRACT Bacteria–fungi interactions (BFIs) are essential in ecosystem functioning. These interactions are modulated not only by local nutritional conditions but also by the physicochemical constraints and 3D structure of the environmental niche. In soils, the unsaturated and complex nature of the substrate restricts the dispersal and activity of bacteria. Under unsaturated conditions, some bacteria engage with filamentous fungi in an interaction (fungal highways) in which they use fungal hyphae to disperse. Based on a previous experimental device to enrich pairs of organisms engaging in this interaction in soils, we present here the design and validation of a modified version of this sampling system constructed using additive printing. The 3D printed devices were tested using a novel application in which a target fungus, the common coprophilous fungus Coprinopsis cinerea, was used as bait to recruit and identify bacterial partners using its mycelium for dispersal. Bacteria of the genera Pseudomonas, Sphingobacterium and Stenotrophomonas were highly enriched in association with C. cinerea. Developing and producing these new easy-to-use tools to investigate how bacteria overcome dispersal limitations in cooperation with fungi is important to unravel the mechanisms by which BFIs affect processes at an ecosystem scale in soils and other unsaturated environments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Dust distribution around low-mass planets on converging orbits

Context : Super-Earths can form at large orbital radii and migrate inward due to tidal interactions with the circumstellar disk. In this scenario, convergent migration may occur and lead to the formation of resonant pairs of planets. Aim : We explore the conditions under which convergent migration and resonance capture take place, and what dynamical consequences can be expected on the dust distribution surrounding the resonant pair. Methods : We combine hydrodynamic planet–disk interaction models with dust evolution calculations to investigate the signatures produced in the dust distribution by a pair of planets in mean-motion resonances. Results : We find that convergent migration takes place when the outer planet is the more massive. However, convergent migration also depends on the local properties of the disk, and divergent migration may result as well. For similar disk parameters, the capture in low degree resonances (e.g., 2:1 or 3:2) is preferred close to the star where the resonance strength can more easily overcome the tidal torques exerted by the gaseous disk. Farther away from the star, convergent migration may result in capture in high degree resonances. The dust distribution shows potentially observable features typically when the planets are trapped in a 2:1 resonance. In other cases, with higher degree resonances (e.g., 5:4 or 6:5) dust features may not be sufficiently pronounced to be easily observable. Conclusions : The degree of resonance established by a pair of super-Earths may be indicative of the location in the disk where capture occurred. There can be significant differences in the dust distribution around a single super-Earth and a pair of super-Earths in resonance.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1986

Numerical studies of interacting vortices

To get a basic understanding of the physics of flowfields modeled by vortex filaments with finite vortical cores, systematic numerical studies of the interactions of two vortices and pairs of coaxial axisymmetric circular vortex rings were made. Finite difference solutions of the unsteady incompressible Navier-Stokes equations were carried out using vorticity and stream function as primary variables. Special emphasis was placed on the formulation of appropriate boundary conditions necessary for the calculations in a finite computational domain. Numerical results illustrate the interaction of vortex filaments, demonstrate when and how they merge with each other, and establish the region of validity for an asymptotic analysis.

Liu, G. C.↗
DOE OSTI2018

In-Situ 27Al NMR Spectroscopy of Aluminate in Sodium Hydroxide Solutions Above and Below Saturation with Respect to Gibbsite

Aluminum hydroxide (Al(OH)3, gibbsite) dissolution and precipitation processes in alkaline environments play a commanding role in aluminum refining and nuclear waste processing, yet mechanistic aspects underlying sluggish kinetics during crystallization have remained obscured due to a lack of in situ probes capable of isolating incipient ion pairs. At a molecular level Al is cycling between tetrahedral (Td) coordination in solution to octahedral (Oh) in the solid. We explored dissolution of Al(OH)3 that prepared variably saturated aluminate (Al(OH)4 -)-containing solutions under alkaline conditions (pH > 13) with in-situ 27Al magic angle spinning (MAS)-nuclear magnetic resonance (NMR) spectroscopy, and interrogated the results with ab initio molecular dynamics (AIMD) simulations complemented with chemical shift calculations based on high level theory. The collective results highlight the overall stability of the solvation structure for Td Al in the Al(OH)4 - oxyanion as a function of both temperature and Al concentration. The observed chemical shift did not change significantly even when the Al concentration in solution became supersaturated upon cooling and limited precipitation of the octahedral Al(OH)3 phase occurred. However, subtle changes in Al(OH)4 - speciation correlated with the dissolution/precipitation reaction were found. AIMDinformed chemical shift calculations indicate that measurable perturbations should begin when the Al(OH)4 -?Na+ distance is less than 6 Å, increasing dramatically at shorter distances, coinciding with appreciable changes to the electrostatic interaction and reorganization of the Al(OH)4 - solvation shell. The integrated findings thus suggest that, at conditions incipient to and concurrent with gibbsite crystallization, nominally expected contact ion pairs are insignificant and instead medium-range (4 – 6 Å) solvent-separated Al(OH)4 -?Na+ pairs predominate. Moreover, the fact that these medium-range interactions bear directly on resulting gibbsite characteristics was demonstrated by detailed microscopic and X-ray diffraction analysis, and by progressive changes in the FWHM of the Oh resonance, as measured by in-situ NMR. Sluggish gibbsite crystallization may arise from the activation energy associated with disrupting this robust medium-range ion pair interaction.

Graham, Trenton R.↗
DOE OSTI2020

Dynamics of Magnus-dominated particle clusters, collisions, pinning, and ratchets

Motivated by the recent work in skyrmions and active chiral matter systems, we examine pairs and small clusters of repulsively interacting point particles in the limit where the dynamics is dominated by the Magnus force. We find that particles with the same Magnus force can form stable pairs, triples, and higher ordered clusters or exhibit chaotic motion. For mixtures of particles with opposite Magnus force, particle pairs can combine to form translating dipoles. Under an applied drive, particles with the same Magnus force translate; however, particles with different or opposite Magnus force exhibit a drive-dependent decoupling transition. When the particles interact with a repulsive obstacle, they can form localized orbits with depinning or unwinding transitions under an applied drive. We examine the interaction of these particles with clusters or lines of obstacles and find that the particles can become trapped in orbits that encircle multiple obstacles. Under an ac drive, we observe a series of ratchet effects, including ratchet reversals, for particles interacting with a line of obstacles due to the formation of commensurate orbits. Lastly, in assemblies of particles with mixed Magnus forces of the same sign, we find that the particles with the largest Magnus force become localized in the center of the cluster, while for mixtures with opposite Magnus forces, the motion is dominated by transient local pairs or clusters, where the translating pairs can be regarded as a form of active matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

MJL-1 is a nuclear envelope protein required for homologous chromosome pairing and regulation of synapsis during meiosis in C. elegans

Interactions between chromosomes and LINC (linker of nucleoskeleton and cytoskeleton) complexes in the nuclear envelope (NE) promote homolog pairing and synapsis during meiosis. By tethering chromosomes to cytoskeletal motors, these connections lead to processive chromosome movements along the NE. This activity is usually mediated by telomeres, but in the nematode Caenorhabditis elegans, special chromosome regions called “pairing centers” (PCs) have acquired this meiotic function. Here, we identify a previously uncharacterized meiosis-specific NE protein, MJL-1 (MAJIN-Like-1), that is essential for interactions between PCs and LINC complexes in C. elegans. Mutations in MJL-1 eliminate active chromosome movements during meiosis, resulting in nonhomologous synapsis and impaired homolog pairing. Fission yeast and mice also require NE proteins to connect chromosomes to LINC complexes. Extensive similarities in the molecular architecture of meiotic chromosome-NE attachments across eukaryotes suggest a common origin and/or functions of this architecture during meiosis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Superconductivity in three-dimensional spin-orbit coupled semimetals

Here, motivated by the experimental detection of superconductivity in the low-carrier density half-Heusler compound YPtBi, we study the pairing instabilities of three-dimensional strongly spin-orbit coupled semimetals with a quadratic band touching point. In these semimetals the electronic structure at the Fermi energy is described by spin j = 3/2 quasiparticles, which are fundamentally different from those in ordinary metals with spin j = 1/2. For both local and nonlocal pairing channels in j = 3/2 materials we develop a general approach to analyzing pairing instabilities, thereby providing the computational tools needed to investigate the physics of these systems beyond phenomenological considerations. Furthermore, applying our method to a generic density-density interaction, we establish that: (i) The pairing strengths in the different symmetry channels uniquely encode the j = 3/2 nature of the Fermi surface band structure—a manifestation of the fundamental difference with ordinary metals. (ii) The leading odd-parity pairing instabilities are different for electron doping and hole doping. Finally, we argue that polar phonons, i.e., Coulomb interactions mediated by the long-ranged electric polarization of the optical phonon modes, provide a coupling strength large enough to account for a Kelvin-range transition temperature in the s-wave channel, and are likely to play an important role in the overall attraction in non- s -wave channels. Furthermore, the explicit calculation of the coupling strengths allows us to conclude that the two largest non- s-wave contributions occur in nonlocal channels, in contrast with what has been commonly assumed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Ion–ion interactions enhance aluminum solubility in alkaline suspensions of nano-gibbsite (α-Al(OH) 3 ) with sodium nitrite/nitrate

Despite widespread industrial importance, predicting metal solubilities in highly concentrated, multicomponent aqueous solutions is difficult due to poorly understood ion–ion and ion–solvent interactions. Aluminum hydroxide solid phase solubility in concentrated sodium hydroxide (NaOH) solutions is one such case, with major implications for ore refining, as well as processing of radioactive waste stored at U.S. Department of Energy legacy sites, such as the Hanford Site, Washington State. The solubility of gibbsite (α-Al(OH) 3 ) is often not well predicted because other ions affect the activity of hydroxide (OH – ) and aluminate (Al(OH) 4 – ) anions. In the study reported herein, we systematically examined the influence of key anions, nitrite (NO 2 – ) and nitrate (NO 3 – ), as sodium salts on the solubility of α-Al(OH) 3 in NaOH solutions taking care to establish equilibrium from both under- and oversaturation. Rapid equilibration was enabled by use of a highly pure and crystalline synthetic nano-gibbsite of well-defined particle size and shape. Measured dissolved aluminum concentrations were compared with those predicted by an α-Al(OH) 3 solubility model derived for simple Al(OH) 4 – /OH – systems. Specific anion effects were expressed as an enhancement factor (Al enhc ) conveying the excess of dissolved aluminum. At 45 °C, NaNO 2 and NaNO 3 -containing systems exhibited Al enhc values of 2.70 and 1.88, respectively, indicating significant enhancement. The solutions were examined by Raman and high-field 27 Al NMR spectroscopy, indicating specific interactions including Al(OH) 4 – –Na + contact ion pairing and Al(OH) 4 – –NO 2 – /NO 3 – ion–ion interactions. Dynamic evolution of the α-Al(OH) 3 particles including growth and agglomeration was observed revealing the importance of dissolution/reprecipitation in establishing equilibrium. These studies indicate that incomplete ion hydration, as a result of the low water activity in these concentrated electrolytes, results in: (i) enhanced reactivity of the hydroxide ion with respect to α-Al(OH) 3 ; (ii) increased concentrations of Al(OH) 4 – in solution; and (iii) stronger ion–ion interactions that act to stabilize the supersaturated solutions. This information on the mechanisms by which α-Al(OH) 3 becomes supersaturated is essential for more energy-efficient aluminum processing technologies, including the treatment of millions of gallons of Al(OH) 4 – -rich high-level radioactive waste.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Zodiac: A Comprehensive Depiction of Genetic Interactions in Cancer by Integrating TCGA Data

Background: Genetic interactions play a critical role in cancer development. Existing knowledge about cancer genetic interactions is incomplete, especially lacking evidences derived from large-scale cancer genomics data. The Cancer Genome Atlas (TCGA) produces multimodal measurements across genomics and features of thousands of tumors, which provide an unprecedented opportunity to investigate the interplays of genes in cancer. Methods: We introduce Zodiac, a computational tool and resource to integrate existing knowledge about cancer genetic interactions with new information contained in TCGA data. It is an evolution of existing knowledge by treating it as a prior graph, integrating it with a likelihood model derived by Bayesian graphical model based on TCGA data, and producing a posterior graph as updated and data-enhanced knowledge. In short, Zodiac realizes “Prior interaction map + TCGA data → Posterior interaction map.” Results: Zodiac provides molecular interactions for about 200 million pairs of genes. All the results are generated from a big-data analysis and organized into a comprehensive database allowing customized search. In addition, Zodiac provides data processing and analysis tools that allow users to customize the prior networks and update the genetic pathways of their interest. Zodiac is publicly available at www.compgenome.org/ZODIAC. Conclusions: Zodiac recapitulates and extends existing knowledge of molecular interactions in cancer. It can be used to explore novel gene-gene interactions, transcriptional regulation, and other types of molecular interplays in cancer.

Zhu, Yitan↗
DOE OSTI2015

Strong interplay between stripe spin fluctuations, nematicity and superconductivity in FeSe

In iron-based superconductors the interactions driving the nematic order (that breaks four-fold rotational symmetry in the iron plane) may also mediate the Cooper pairing. The experimental determination of these interactions, which are believed to depend on the orbital or the spin degrees of freedom, is challenging because nematic order occurs at, or slightly above, the ordering temperature of a stripe magnetic phase. In this paper, we study FeSe—which exhibits a nematic (orthorhombic) phase transition at T s = 90 K without antiferromagnetic ordering—by neutron scattering, finding substantial stripe spin fluctuations coupled with the nematicity that are enhanced abruptly on cooling through T s . A sharp spin resonance develops in the superconducting state, whose energy (~4 meV) is consistent with an electron–boson coupling mode revealed by scanning tunnelling spectroscopy. The magnetic spectral weight in FeSe is found to be comparable to that of the iron arsenides. Finally, our results support recent theoretical proposals that both nematicity and superconductivity are driven by spin fluctuations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Nonenzymatic RNA copying with a potentially primordial genetic alphabet

Nonenzymatic RNA copying is thought to have been responsible for the replication of genetic information during the origin of life. However, chemical copying with the canonical nucleotides (A, U, G, and C) strongly favors the incorporation of G and C and disfavors the incorporation of A and especially U because of the stronger G:C vs. A:U base pair and the weaker stacking interactions of U. Recent advances in prebiotic chemistry suggest that the 2-thiopyrimidines were precursors to the canonical pyrimidines, raising the possibility that they may have played an important early role in RNA copying chemistry. Furthermore, 2-thiouridine (s 2 U) and inosine (I) form by deamination of 2-thiocytidine (s 2 C) and A, respectively. We used thermodynamic and crystallographic analyses to compare the I:s 2 C and A:s 2 U base pairs. We find that the I:s 2 C base pair is isomorphic and isoenergetic with the A:s 2 U base pair. The I:s 2 C base pair is weaker than a canonical G:C base pair, while the A:s 2 U base pair is stronger than the canonical A:U base pair, so that a genetic alphabet consisting of s 2 U, s 2 C, I, and A generates RNA duplexes with uniform base pairing energies. Consistent with these results, kinetic analysis of nonenzymatic template-directed primer extension reactions reveals that s 2 C and s 2 U substrates bind similarly to I and A in the template, and vice versa. Our work supports the plausibility of a potentially primordial genetic alphabet consisting of s 2 U, s 2 C, I, and A and offers a potential solution to the long-standing problem of biased nucleotide incorporation during nonenzymatic template copying.

Science & Technology - Other Topics↗
DOE OSTI2016

Triclinic nematic colloidal crystals from competing elastic and electrostatic interactions

The self-assembly of nanoparticles can enable the generation of composites with predesigned properties, but reproducing the structural diversity of atomic and molecular crystals remains a challenge. We combined anisotropic elastic and weakly screened electrostatic interactions to guide both orientational and triclinic positional self-ordering of inorganic nanocrystals in a nematic fluid host. The lattice periodicity of these low-symmetry colloidal crystals is more than an order of magnitude larger than the nanoparticle size. The orientations of the nanocrystals, as well as the crystallographic axes of the ensuing triclinic colloidal crystals, are coupled to the uniform alignment direction of the nematic host, which can be readily controlled on large scales. We examine colloidal pair and many-body interactions and show how triclinic crystals with orientational ordering of the semiconductor nanorods emerge from competing long-range elastic and electrostatic forces.

42 ENGINEERING↗
DOE OSTI2018

Zero-range effective field theory for resonant wino dark matter. Part III. Annihilation effects

Near a critical value of the wino mass where there is a zero-energy S-wave resonance at the neutral-wino-pair threshold, low-energy winos can be described by a zero-range effective field theory (ZREFT) in which the winos interact nonperturbatively through a contact interaction and through Coulomb interactions. Here, the effects of wino-pair annihilation into electroweak gauge bosons are taken into account through the analytic continuation of the real parameters for the contact interaction to complex values. The parameters of ZREFT can be determined by matching wino-wino scattering amplitudes calculated by solving the Schrödinger equation for winos interacting through a real potential due to the exchange of electroweak gauge bosons and an imaginary potential due to wino-pair annihilation into electroweak gauge bosons. ZREFT at leading order gives an accurate analytic description of low-energy wino-wino scattering, inclusive wino-pair annihilation, and a wino-pair bound state. ZREFT can also be applied to partial annihilation rates, such as the Sommerfeld enhancement of the annihilation rate of wino pairs into monochromatic photons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Physics sensitivity studies of Fine-Grained Tracker

The reference design of the near detector for the LBNE experiment is a high-resolution Fine-Grained Tracker (FGT). We performed sensitivity studies – critical to constraining the systematics in oscillation searches – of measurements of (1) the absolute neutrino flux, (2) neutrino-nucleon quasi-elastic (QE) and (3) resonance (Res) interactions. In QE and Res emphasis is laid in identifying in situ measurables that help constrain nuclear effects such as initial state pair wise correlations and final state interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1992

On identification of structures with internal resonances

Identification of structures which exhibit modal interactions is considered, and the difficulties experienced due to these interactions are examined. Free oscillations of quadratically and cubically coupled pairs of oscillators are analytically studied to illustrate nonlinear interactions between structural modes involved in two-to-one and one-to-one frequency relationships. In light of this study, results obtained from application of the eigensystem realization algorithm toward identification of a beam-mass structure with a two-to-one frequency relationship and quadratic coupling are presented and discussed.

Balachandran, B.↗