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Results for “pairing mechanisms”

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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Superconductinglike response in a driven gapped bosonic system

In this study, we propose a mechanism for the photoinduced superconductinglike response recently reported in cuprates and other strongly correlated materials. This mechanism relies on quantum-fluctuating bosons consisting of electron pairs. With periodic drive, the electron pairs and vacancies of pairs form a coherent nonequilibrium condensate, different from conventional superconductors, yet showing a superconductinglike response in some regime even with dissipation. Unlike the case of driven fermionic bands, which results in the familiar Floquet bands with hybridization gaps, for driven bosons the “gap” opens up in the momentum direction, resulting in a resonant region in momentum space where the eigenvalues are complex. We give a simple physical argument for why this picture leads to a “perfect conductor” which exhibits superconductinglike frequency-dependent conductivity but no Meissner response. While our model is quite general, in the case of cuprates, a quantum-fluctuating pair density wave in the pseudogap region may serve as the origin of the quantum-fluctuating electron pairs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Broadening a SARS-CoV-1–neutralizing antibody for potent SARS-CoV-2 neutralization through directed evolution

The emergence of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) underscores the need for strategies to rapidly develop neutralizing monoclonal antibodies that can function as prophylactic and therapeutic agents and to help guide vaccine design. Here, we demonstrate that engineering approaches can be used to refocus an existing antibody that neutralizes one virus but not a related virus. Through a rapid affinity maturation strategy, we engineered CR3022, a SARS-CoV-1–neutralizing antibody, to bind to the receptor binding domain of SARS-CoV-2 with >1000-fold increased affinity. The engineered CR3022 neutralized SARS-CoV-2 and provided prophylactic protection from viral challenge in a small animal model of SARS-CoV-2 infection. Deep sequencing throughout the engineering process paired with crystallographic analysis of engineered CR3022 elucidated the molecular mechanisms by which the antibody can accommodate sequence differences in the epitopes between SARS-CoV-1 and SARS-CoV-2. This workflow provides a blueprint for the rapid broadening of neutralization of an antibody from one virus to closely related but resistant viruses.

Biochemistry & Molecular Biology↗
DOE OSTI2022

Quantum-Accurate Multiscale Modeling of Shock Hugoniots, Ramp Compression Paths, Structural and Magnetic Phase Transitions, and Transport Properties in Highly Compressed Metals

Fully characterizing high energy density (HED) phenomena using pulsed power facilities (Z machine) and coherent light sources is possible only with complementary numerical modeling for design, diagnostic development, and data interpretation. The exercise of creating numerical tests, that match experimental conditions, builds critical insight that is crucial for the development of a strong fundamental understanding of the physics behind HED phenomena and for the design of next generation pulsed power facilities. The persistence of electron correlation in HED materials arising from Coulomb interactions and the Pauli exclusion principle is one of the greatest challenges for accurate numerical modeling and has hitherto impeded our ability to model HED phenomena across multiple length and time scales at sufficient accuracy. An exemplar is a ferromagnetic material like iron, while familiar and widely used, we lack a simulation capability to characterize the interplay of structure and magnetic effects that govern material strength, kinetics of phase transitions and other transport properties. Herein we construct and demonstrate the Molecular-Spin Dynamics (MSD) simulation capability for iron from ambient to earth core conditions, all software advances are open source and presently available for broad usage. These methods are multi-scale in nature, direct comparisons between high fidelity density functional theory (DFT) and linear-scaling MSD simulations is done throughout this work, with advancements made to MSD allowing for electronic structure changes being reflected in classical dynamics. Main takeaways for the project include insight into the role of magnetic spins on mechanical properties and thermal conductivity, development of accurate interatomic potentials paired with spin Hamiltonians, and characterization of the high pressure melt boundary that is of critical importance to planetary modeling efforts.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1978

Gamma ray polarimetry

Spectroscopic instruments currently being proposed may possess polarimetric capabilities which sould be nurtured and enhanced to permit characterization of basic emission mechanisms which are impossible using other techniques. Compton scattering and pair production detected the polarization of high energy (E is greater than 50 keV) protons in laboratory experiments. The polarization properties of a detection system consisting of 19 germanium crystals in a closed packed array are examined and the advantages of such a detector over Thompson scattering are discussed. The possiblity of using pair production to detect polarization of high energy gamma rays, and the associated modulation factors are discussed. The central difficulty involved in using pair production polarimeters in astrophysical applications is that the typical opening of the electron or positron direction with respect to the incident photon aircitron is small, of order E/sq mc. Multiple scattering in the material used to convert the photons to an electron positron pair causes deviations in the direction of the electron and positron.

Long, K. S.↗
NASA NTRS1979

Analysis of a unidirectional composite containing broken fibers and matrix damage

An analytical solution is developed for the determination of the stresses and displacements in a unidirectional fiber-reinforced composite containing an arbitrary number of broken fibers as well as longitudinal yielding and splitting of the matrix. The solution is developed using a materials-modeling approach which is based on a shear-lag stress transfer mechanism. The equilibrium equation in the axial direction gives a pair of integral equations which are solved numerically. Excellent agreement is shown to exist between the solution and experimental results for notched unidirectional boron/aluminum laminates without splitting. For brittle matrix composites (i.e. epoxy) equally good results are indicated for both matrix yielding and splitting. For yielding without splitting the fracture strength depends on crack length while for large splitting it is crack length independent.

George, J. G.↗
NASA NTRS1980

Analysis of a unidirectional composite containing broken fibers and matrix damage

An analytical solution is developed for the determination of the stresses and displacements in a unidirectional fiber-reinforced composite containing an arbitrary number of broken fibers as well as longitudinal yielding and splitting of the matrix. The solution is developed using a 'materials-modeling' approach which is based on a shear-lag stress transfer mechanism. The equilibrium equation in the axial direction gives a pair of integral equations which are solved numerically. Excellent agreement is shown to exist between the solution and experimental results for notched unidirectional boron/aluminum laminates without splitting. For brittle matrix composites (i.e., epoxy) equally good results are indicated for both matrix yielding and splitting. For yielding without splitting the fracture strength is found to depend on crack length while for large splitting it is crack length independent.

Goree, J. G.↗
NASA NTRS1981

Analysis of interface cracks in adhesively bonded lap shear joints, part 4

Conservation laws of elasticity for nonhomogeneous materials were developed and were used to study the crack behavior in adhesively bonded lap shear joints. By using these laws and the fundamental relationships in fracture mechanics of interface cracks, the problem is reduced to a pair of linear algebraic equations, and stress intensity solutions can be determined directly by information extracted from the far field. The numerical results obtained show that: (1) in the lap-shear joint with a given adherend, the opening-mode stress intensity factor, (K sub 1) is always larger than that of the shearing-mode (K sub 2); (2) (K sub 1) is not sensitive to adherent thickness abut (K sub 2) increases rapidly with increasing thickness; and (3) (K sub 1) and (K sub 2) increase simultaneously as the interfacial crack length increases.

Wang, S. S.↗
NASA NTRS1992

Payload retention device

A payload retention device for grappling and retaining a payload in docked position on a supporting structure in the cargo bay of a space vehicle is presented. The device comprises a two-fault tolerant electromagnetic grappling system comprising electromagnets for attracting and grappling a grapple strike plate affixed to the payload when in proximity thereto and an electromechanical latching assembly comprising a pair of independent latching subassemblies. Each subassembly comprises a set of latching pawls which are driven into latching and unlatching positions relative to a grappled payload by a pair of gearmotors, each equipped with a ratchet clutch drive mechanism which is two-fault tolerant with respect to latching such that only one gearmotor of the four needs to be operational to effect a latch of the payload but is single fault tolerant with respect to release of a latched payload. Sensors are included for automatically sensing the magnetic grappling of a payload and for automatically de-energizing the gearmotors of the latching subassemblies when a latch condition is achieved.

Monford, Leo G., Jr.↗
NASA NTRSDate not supplied

Modeling and simulation of space-based entanglement distribution

In this talk we present a model for analyzing space-based entanglement distribution links. In particular, we analyze deterministic entanglement distribution links relevant to quantum communication applications where all communication nodes must be synchronized with deterministic photon arrival times. The focus is on systems operating within practical limitations set by current technology. The architectures studied in this work are based on all-photonic links with probabilistic (memory-less) entanglement swapping used to signal the success of the entanglement distribution without destroying the entangled state. An end-to-end link model is described which accounts for satellite orbital mechanics as well as the physical effects of entangled photon pair sources, space-to-ground atmospheric channels, two-photon interference, pointing and tracking, and photon counting detectors with and without photon number resolution (this is joint work with Robert Manning, Ian Nemitz, and Bryan Welch).

quantum communication↗
DOE OSTI2022

Fixed gap capacitive power transfer coupling for wound field synchronous machines

An electrical rotating machine, such as a generator or motor, communicates power from a stationary location to the rotating rotor of the rotating machine via opposed pairs of capacitor plates, one plate of each pair rotating with the rotor and one plate of each pair fixed not to rotate. Larger plate gaps suitable for mechanically rigid plates are possible through high-voltage and high-frequency AC signals managed by using a dielectric support design for the capacitor plates minimizing dielectric loss and/or impedance matching on the rotor.

Hagen, Skyler S.↗
DOE OSTI2025

Investigating late-stage particle production in pp collisions with balance functions

Balance functions have been regarded in the past as a method of investigating the late-stage hadronization found in the presence of a strongly-coupled medium. They are also used to constrain mechanisms of particle production in large and small collision systems. Charge balance functions for inclusive and identified particle pairs are reported as a function of charged particle multiplicity in proton–proton collisions simulated with the PYTHIA8 and the EPOS4 models. The charge balance functions of inclusive, pion, kaon, and proton pairs exhibit amplitudes and shapes that depend on particle species and differ significantly in the two models due to the different particle production mechanisms implemented in PYTHIA and EPOS. The shapes and amplitudes also evolve with multiplicity in both models. In addition, the evolution of the longitudinal rms width and that of balance functions integrals with multiplicity (and average transverse momentum) feature significant differences in the two models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Mechanism of superconductivity in the Hubbard model at intermediate interaction strength

We study the fluctuations responsible for pairing in the d -wave superconducting state of the two-dimensional Hubbard model at intermediate coupling within a cluster dynamical mean-field theory with a numerically exact quantum impurity solver. By analyzing how momentum- and frequency-dependent fluctuations generate the d -wave superconducting state in different representations, we identify antiferromagnetic fluctuations as the pairing glue of superconductivity in both the underdoped and the overdoped regime. Nevertheless, in the intermediate coupling regime, the predominant magnetic fluctuations may differ significantly from those described by conventional spin fluctuation theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Tunable Heteroassembly of a Plant Pseudoenzyme–Enzyme Complex

Pseudoenzymes have emerged as key regulatory elements in all kingdoms of life despite being catalytically nonactive. Yet many factors defining why one protein is active while its homologue is inactive remain uncertain. For pseudoenzyme–enzyme pairs, the similarity of both subunits can often hinder conventional characterization approaches. In plants, a pseudoenzyme, PDX1.2, positively regulates vitamin B 6 production by association with its active catalytic homologues such as PDX1.3 through an unknown assembly mechanism. Here we used an integrative experimental approach to learn that such pseudoenzyme–enzyme pair associations result in heterocomplexes of variable stoichiometry, which are unexpectedly tunable. We also present the atomic structure of the PDX1.2 pseudoenzyme as well as the population averaged PDX1.2–PDX1.3 pseudoenzyme–enzyme pair. Finally, we dissected hetero-dodecamers of each stoichiometry to understand the arrangement of monomers in the heterocomplexes and identified symmetry-imposed preferences in PDX1.2–PDX1.3 interactions. In this work, our results provide a new model of pseudoenzyme–enzyme interactions and their native heterogeneity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Monte Carlo study of the pseudogap and superconductivity emerging from quantum magnetic fluctuations

Abstract The origin of the pseudogap behavior, found in many high- T c superconductors, remains one of the greatest puzzles in condensed matter physics. One possible mechanism is fermionic incoherence, which near a quantum critical point allows pair formation but suppresses superconductivity. Employing quantum Monte Carlo simulations of a model of itinerant fermions coupled to ferromagnetic spin fluctuations, represented by a quantum rotor, we report numerical evidence of pseudogap behavior, emerging from pairing fluctuations in a quantum-critical non-Fermi liquid. Specifically, we observe enhanced pairing fluctuations and a partial gap opening in the fermionic spectrum. However, the system remains non-superconducting until reaching a much lower temperature. In the pseudogap regime the system displays a “gap-filling" rather than “gap-closing" behavior, similar to the one observed in cuprate superconductors. Our results present direct evidence of the pseudogap state, driven by superconducting fluctuations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1989

The spin bag mechanism of high temperature superconductivity

In oxide superconductors the local suppression of antiferromagnetic correlations in the vicinity of a hole lowers the energy of the system. This quasi two-dimensional bag of weakened spin order follows the hole in its motion. In addition, holes prefer to share a bag, leading to a strong pairing attraction and a high Tc superconductivity. There are many experimental consequences of this mechanism for both the superconducting and normal phases.

Schrieffer, J. R.↗
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 OSTI2025

Tunable Spin Qubit Pairs in Quantum Dot–Molecule Conjugates

Organic molecules and quantum dots (QDs) have both shown promise as materials that can host quantum bits (qubits). This is in part because of their synthetic tunability. The current work employs a combination of both materials to demonstrate a series of tunable quantum dot–organic molecule conjugates that can both host photogenerated spin-based qubit pairs (SQPs) and sensitize molecular triplet states. The photogenerated qubit pairs, composed of a spin-correlated radical pair (SCRP), are particularly intriguing since they can be initialized in well-defined, nonthermally populated, quantum states. Additionally, the radical pair enables charge recombination to a polarized molecular triplet state, also in a well-defined quantum state. The materials underlying this system are an organic molecular chromophore and electron donor, 9,10-bis(phenylethynyl)anthracene, and a quantum dot acceptor composed of ZnO. We prepare a series of quantum dot–molecule conjugates that possess variable quantum dot size and two different linker lengths connecting the two moieties. Optical spectroscopy revealed that the QD–molecule conjugates undergo photoexcited charge separation to generate long-lived charge-separated radical pairs. The resulting spin states are probed using light-induced time-resolved electron paramagnetic resonance (TR-EPR) spectroscopy, revealing the presence of singlet-generated SCRPs and molecular triplet states. Notably, the EPR spectra of the radical pairs are dependent on the geometry of this highly tunable system. The g value of the ZnO QD anion is size tunable, and the line widths are influenced by radical pair separation. Overall, this work demonstrates the power of synthetic tunability in adjusting the spin specific addressability, satisfying a key requirement of functional qubit systems.

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

Phosphoric Acid-Doped Ion-Pair Coordinated PEMs with Broad Relative Humidity Tolerance

Proton exchange membrane (PEM) capable of working over a broad operating condition window is critical for successful adoption of PEM-based electrochemical devices. In this work, phosphoric acid (PA)-doped biphenyl-backbone ion-pair coordinated PEMs were prepared by quaternization of BPBr-100, a precursor polymer, with three different tertiary amines including trimethylamine, 1-methylpiperidine, and 1,2-dimethylimidazole followed by membrane casting, ion exchange reaction to hydroxide ion, and doping with PA. The resulting PA-doped ion-pair PEMs were characterized in terms of PA doping level, proton conductivity, relative humidity (RH) tolerance, thermal stability, and mechanical properties. PA doping levels were between six and eight according to acid-base titration. The size and structure of the cation group of ion-pair polymers were found to affect the PA doping level and water uptake. Proton conductivity was studied as a function of RH over a wide range of 5% to 95% RH. Stable conductivity at 80 °C was observed up to 70% RH for 10 h. Mechanical property characterization indicates that the PA doping process resulted in more ductile membranes with significantly increased elongation at break due to the plasticization effect of PA. A combination of high proton conductivity at low RH conditions, and good humidity tolerance makes this new class of PEMs great potential candidates for use in electrochemical devices such as proton exchange membrane fuel cells and electrochemical hydrogen compressors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗