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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Supported molybdenum oxides for the aldol condensation reaction of acetaldehyde

The (retro-)aldol condensation reaction is an important chemical transformation in the upgrading of biomass-derived compounds into fuels and valuable specialty chemicals. In this study, we found that supported molybdenum oxide (MoO x ) catalysts were active and selective for the aldol condensation of acetaldehyde to crotonaldehyde under steady-state reactor conditions. Through a combination of transmission electron microscopy (TEM), ultraviolet–visible (UV–VIS) diffuse reflectance spectroscopy, Fourier transform infrared (FTIR) spectroscopy of adsorbed pyridine, and steady-state reactor testing, we determined that highly dispersed MoO x has a strong interaction with a γ-Al 2 O 3 support resulting in optimal catalyst performance at low weight loadings. In contrast, MoO x particles supported on SiO 2 have a weaker interaction with the support, resulting in a monotonic relationship between Mo loading and aldol condensation activity. The Lewis acid site density and strength are important parameters for predicting aldol condensation activity across all samples. The concentration of weak acid sites had a poor correlation with aldol condensation activity, most likely because these sites are too weak to activate acetaldehyde for the reaction. Medium and strong acid sites both had good correlations to aldol condensation activity. Results from X-ray absorption near edge structure (XANES) and acetaldehyde temperature programmed desorption (TPD) indicated that partially reduced MoO x was more active for aldol condensation, but pretreatment in reducing or oxidizing environments had no significant effect on steady-state catalytic activity. Finally, characterization of spent catalyst samples through temperature programmed oxidation (TPO) and thermogravimetric analysis (TGA) revealed that catalysts with high densities of strong acid sites tended to form more carbonaceous deposits on the surface over the course of the reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Improved lipid analysis using a 2D-LC-MS system with a novel injection procedure

The aim of this study was to improve analysis of nonpolar lipidomics sample extracts using reversed phase (RP) chromatography. A 4/3/3 (v/v/v) mixture of methanol/methyl tert-butyl ether/chloroform (MeOH/MTBE/CHCl 3 , MMC) was chosen for sample extraction solvent based on its proven extraction capability for several lipid classes. To avoid carry over, loss of analytes and peak distortion the loops and all capillaries of the presented LC system were flushed and filled up with methanol until the analytical column. Here, the choice of methanol was due to its weak elution strength and being infinitely miscible with MMC and several other nonpolar solvents. This allowed injection of a 100 μl sample that was 20 μl nonpolar extraction solvent diluted fivefold with methanol. All lipids of 25 lipid classes were transferred quantitatively to the column head where the online dilution of methanol was carried out with aqueous eluent for focusing the lipid analytes. The weak elution strength of methanol prevented peak distortions. The consecutive reversed phase elution resulted in remarkably narrow peaks (full width at half maximum was 0.07–0.08 min typically) and enhanced sensitivity (limit of detection usually in sub nM region) because of increased sample injection volume and narrow peaks. Calibration and quality control samples made by diluting commercial lipid standards 200–50000 times confirmed the applicability of this approach both for targeted lipid quantification and for untargeted quantitative comparison of lipids from different sources.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

A block-spectral adaptive H-/$p$-refinement strategy for shock-dominated problems

An adaptive H-/p-refinement strategy using a novel sensor is devised and tested in a block-spectral compressible Euler code equipped with adaptive-mesh refinement (AMR) and high-order flux-reconstruction numerics. At each Gauss quadrature point (or solution point) within each spectral block (or mesh element) the discrete velocity jump ΔU = ∂U/∂y 1 Δy 1 + ∂V/∂y 2 Δy 2 + ∂W/∂y 3 Δy 3 is calculated and normalized by the local speed of sound, a. Here, the grid spacing, Δx i , is calculated in each direction as the distance between auxiliary Gauss-Lobatto points, staggered relative to the solution points. The polynomial order is increased from p = 0 to p = p max in regions of weak compression, (ΔU/a) crit < ΔU/a < 0 and kept at p = p max in regions of flow expansion ΔU/a ≥ 0, while staying at the H = 0 base mesh level. Regions experiencing strong compressions, i.e. ΔU/a < (ΔU/a) crit , are H-refined up to H = H max where H max is applied at the location of maximum compression, ΔU/a = min(ΔU/a) in the domain, while keeping p = 0 to guarantee robustness and monotonicity of the solution in the H refined region. The critical value of (ΔU/a) crit = -0.06 is found to effectively separate smooth and non-smooth solution regions, supported by a 1D detonation initiation test case in ideal gas and a shock-to-detonation transition in high explosives. Using this value, the Sod shock tube, Shu-Osher problem, double Mach reflection and a 2D detonation in a high-explosive are simulated with the proposed adaptive H-/p-refinement. In the Sod shock tube case, p-refinement resolves the (weak) contact discontinuity while H-refinement enhances the grid resolution in the shock exploiting the monotonicity of the p = 0 reconstruction. For the Shu-Osher problem, p-refinement captures the small-scale oscillations trailing the shock that would be otherwise attenuated, while H-refinement triggered by the ΔU-sensor appropriately tracks the shock. In the double Mach reflection problem, H-refinement confines the numerical diffusion around the reflected shock while p-refinement recaptures many physical features trailing the shock. Finally, in the 2D high-explosive detonation case, H-refinement follows the leading shock and resolves the curvature of the detonation wave, while p-refinement adds resolution to the trailing reaction zone. Finally, the proposed methodology is tested in a detonation-wave propagation test case in high-explosives with numerical predictions comparing favorably against experiments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A Monte-Carlo method for Coulomb collisions in moderately coupled plasmas

Here, we introduce a new approach for coupling cumulative and single-scattering distributions, extending Monte Carlo methods for Coulomb collisions in weakly coupled plasmas into the moderately coupled regime. Using time steps typical of cumulative-scattering methods, we show that this approach not only recovers leading-order corrections proportional to the inverse Coulomb logarithm but also solves the full Boltzmann collision integral. A key feature of the method is its simplicity: it can be integrated into cumulative-scattering methods for weakly coupled plasmas with only ~ 10 additional lines of code.

Boltzmann collision integral↗
DOE OSTI2022

Cosmology intertwined: A review of the particle physics, astrophysics, and cosmology associated with the cosmological tensions and anomalies

The standard Λ Cold Dark Matter (ΛCDM) cosmological model provides a good description of a wide range of astrophysical and cosmological data. However, there are a few big open questions that make the standard model look like an approximation to a more realistic scenario yet to be found. In this paper, we list a few important goals that need to be addressed in the next decade, taking into account the current discordances between the different cosmological probes, such as the disagreement in the value of the Hubble constant H 0 , the σ 8 – S 8 tension, and other less statistically significant anomalies. While these discordances can still be in part the result of systematic errors, their persistence after several years of accurate analysis strongly hints at cracks in the standard cosmological scenario and the necessity for new physics or generalisations beyond the standard model. In this paper, we focus on the 5.0 σ tension between the Planck CMB estimate of the Hubble constant H 0 and the SH0ES collaboration measurements. After showing the H 0 evaluations made from different teams using different methods and geometric calibrations, we list a few interesting new physics models that could alleviate this tension and discuss how the next decade's experiments will be crucial. Moreover, we focus on the tension of the Planck CMB data with weak lensing measurements and redshift surveys, about the value of the matter energy density Ω m , and the amplitude or rate of the growth of structure ( σ 8 , f σ 8 ). We list a few interesting models proposed for alleviating this tension, and we discuss the importance of trying to fit a full array of data with a single model and not just one parameter at a time. Additionally, we present a wide range of other less discussed anomalies at a statistical significance level lower than the H 0 – S 8 tensions which may also constitute hints towards new physics, and we discuss possible generic theoretical approaches that can collectively explain the non-standard nature of these signals. Finally, we give an overview of upgraded experiments and next-generation space missions and facilities on Earth that will be of crucial importance to address all these open questions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Electronic structure and magnetism of pristine, defected, and strained $\mathrm{Ti_2N}$ $\mathrm{MX}$ene

Here, from first principles electronic structure calculations, we unravel the evolution of structural, electronic, and magnetic properties of pristine, defected, and strained titanium nitride MXene with different functional groups (-F, -O, -H, and -OH). The formation and cohesive energies reveal their chemical stability. The dynamical stability of Ti 2 N mono-layer is also confirmed by phonon calculations. The MAX phase and defect free functionalized MXenes are metallic except for oxygen terminated (Ti 2 NO 2 ) one which is 100% spin polarized half-metallic ferromagnet. The spin–orbit coupling significantly influences the bare MXene (Ti 2 N) to exhibit Dirac topology and band inversion near the high symmetry directions. The strain effect sways the Fermi level thereby shifting it towards lower energy state under compression and towards higher energy state under tensile strain in Ti 2 NH 2 . The Ti 2 NO 2 exhibits exotic electronic structure not only in pristine but also in strained and defected structures. Its half-metallic nature changes to semi-metallic under 1% compression and it is completely destroyed under 2% compression. In single vacancy defect, its band structure remarkably transforms from half-metallic to semi-conducting with large band gap in 12.5% Ti, weakly semi-conducting in 5.5% Ti, and semi-metallic in 12.5% O. The 25% N defect changes its half-metallic characteristic to metallic. Further, the 12.5% Co substitution preserves its half-metallic character, whereas Mn substitution allows it to convert half-metallic characteristic into weak semi-metallic characteristic preserving ferromagnetism. However, Cr substitution converts half-metallic ferromagnetic state to half-metallic anti-ferromagnetic state. The understanding made here on collective structural stability, and electronic band structure, and magnetic phenomena in novel 2D Ti 2 N derived MXenes open up their possibility in designing them for synthesis.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Epsilon Metal: A Waste Form for Noble Metals from Used Nuclear Fuel

Epsilon metal (e-metal) is the metallic phase that forms as inclusions at the grain boundaries in the UO2 fuel during reactor operation. This metal is composed of Pd, Mo, Rh, Ru, and Tc. These metallic inclusions are insoluble in strong acid and remnants of these metallic inclusions have been found in the UO2 matrix that remains from the natural reactors in Gabon that were active 1.8 billion years ago, therefore e-metal should be an excellent waste form for the immobilization of the long-lived isotopes 107Pd (6.5 ? 106 a) and 99Tc (2.13 ? 105 a), with 99Tc being the isotope of interest for repository performance. Therefore, the chemical durability of this potential waste form is assessed in this study. Typically, corrosion rates for metallic materials are measured electrochemically because they are quick, inexpensive, and can reveal the mechanism by which a metal corrodes, at least initially. However, in a repository the waste form would be subjected to slowly flowing water without an applied electrical potential over long time periods. Therefore, the corrosion rates of e-metal specimens were measured with both electrochemical tests and the single-pass flow-through test (SPFT). Potentiodynamic and potentiostatic polarization results suggest that a thin passive film exists on the alloy surface, which seems to be responsible for its high corrosion resistance. Additionally, X-Ray photoelectron spectroscopic results suggest that Pd oxides are significantly enriched in the passive film Results from the SPFT show that the dissolution rates were weakly dependent on pH. Only Mo and Re were found in solution and were used for the calculation of the dissolution rates. In general, the electrochemically determined corrosion rates agree reasonably well with the initial dissolution rate measured with the SPFT test, but they are about one or two orders of magnitude higher than the steady state rates. The causes for this discrepancy are discussed.

epsilon-metal, nuclear waste form, corrosion, sing↗
DOE OSTI2024

Accelerating Multivariate Functional Approximation Computation with Domain Decomposition Techniques⋆

Modeling large datasets through Multivariate Functional Approximations (MFA) provide an elegant way to handle many visualization and scientific analysis workflows. The process necessitates scalable data partitioning methods to compute MFA representations efficiently without compromising the accuracy or continuity of the reconstructed solution. We propose a domain -decomposed method for computing the MFA with B -spline bases, which reduces the total work per task and uses a restricted Additive Schwarz (RAS) method to converge the control point data degrees -of -freedom along subdomain boundaries. We provide an in-depth analysis of the parallel approach with domain decomposition solvers, aiming to minimize local subdomain error residuals and recover high -order continuity at subdomain interfaces with appropriate choices of knot overlaps. The communication cost, determined by the overlap regions in the RAS implementation, is optimized to recover the numerical error profile of the single subdomain case. Our proposed method stands in contrast to previous methods, which typically only recover either C 0 or at best C 1 continuity for arbitrary B -spline degree expansions, or those that require post -processing to blend discontinuities in the reconstructed data. We demonstrate the effectiveness of our approach using analytical and real -world datasets in 1D, 2D, and 3D through both strong and weak scaling studies. The performance results indicate that the overall cost of computing the approximation is directly proportional to the underlying nearest -neighbor communication implementation, and is only weakly dependent on the overlap region size that determines the size of the messages. This finding underscores the efficiency and scalability of our proposed method, making it a promising solution for handling large datasets in scientific workflows.

additive Schwarz solvers↗
DOE OSTI2022

Influence of metallic contaminants on the electrochemical and thermal behavior of Li-ion electrodes

Emerging nondestructive (direct) recycling techniques for lithium-ion batteries may introduce metallic impurities into recycled electrodes. In the present work, the impact of such nonionic contaminants on the practical performance of both anode and cathode materials is evaluated using a synergistic combination of electrochemical and thermal analysis. The impurities under study have been selected through evaluation of industrially shredded batteries, and include Fe0, Al0, Mg0, Cu0, and Si0. The electrochemical behavior of materials containing each individual contaminant at either the anode or the cathode is evaluated in both half-cell and full-cell format. Further, the first-cycle thermal signatures of full cells are used to validate and complement electrochemical signatures, and the two techniques are used in conjunction to suggest distinct mechanisms of electrochemical reactivity for the various impurities. At the anode, metallic contaminants are found to disrupt performance through direct reaction with Li and may serve as weak catalysts to accelerate electrolyte degradation. At the cathode, metallic contaminants show evidence of crossover during formation cycling to disrupt SEI formation. We suggest that coupled electrochemical and thermal analysis may be used to both identify the presence of contaminants and to elucidate specific mechanisms of reactivity for metallic impurities under anodic and cathodic conditions.

Contaminant↗
DOE OSTI2023

Aperture size distribution, length, and preferential location of bed-parallel veins in shale

Bed-parallel, calcite-filled veins (BPVs) are common in shale formations, and although they have been widely described in other studies, little is known about their population aperture size distribution. To address this knowledge gap, we analyzed BPV sizes in outcrops and cores from the Vaca Muerta Formation, Neuquén Basin, Argentina; in two cores from the Marcellus Formation, Appalachian Basin, northeast Pennsylvania; and in one core from the Wolfcamp Shale, Delaware Basin, West Texas. Nine out of ten aperture size populations follow a negative exponential distribution, with one following a weak power law. Bed-parallel vein size distribution and intensity vary among formations and within the same shale. We define three groups of distributions: (1) Vaca Muerta outcrops, with the highest BPV intensity and the largest BPVs (cumulative frequency of 4.9 BPVs per meter [BPVs/m] for apertures 0.265 mm to 8.7 cm); (2) Vaca Muerta cores with a similar BPV intensity overall but with no apertures wider than 1.2 cm; and (3) Vaca Muerta, Wolfcamp, and Marcellus cores with the fewest BPVs (cumulative frequency up to 0.63 BPVs/m) and very few wider than 1 cm. Aperture and length in two outcrop data sets are weakly positively correlated and follow power laws with exponents of 0.44 and 0.49. Mechanical interfaces at boundaries between different lithologies exert a strong control on BPV location, with 65–75% of observed interfaces having BPVs along them. Only 25–30% of the BPVs occur at observed material interfaces, however, and unless subtle, unobserved mechanical layering is present, other factors must also control location. BPV intensity and organic richness (TOC) from Vaca Muerta well logs are correlated in some instances but not in others, indicating TOC is not always a good proxy for BPV location or intensity. Furthermore, these findings provide useful information for modeling of hydraulic fracture treatments where BPVs may influence development of the stimulated fracture network, for example by limiting height growth.

58 GEOSCIENCES↗
DOE OSTI2020

Affinity propagation clustering of full-field, high-spatial-dimensional measurements for robust output-only modal identification: A proof-of-concept study

Determination of the model order is a challenging problem in system identification, especially in output-only or operational modal identification where some modes are weakly excited. While existing methods such as the stabilization diagram method (spectral information) are effective, they do not scale to high-dimensional data, which is usually needed for high-fidelity characterization of structural dynamics and has been made available in the emerging full-field measurement techniques using optical methods such as photogrammetry and laser vibrometers. In this proof-of-concept study we present a new non-parametric, data-driven approach for robust output-only identification of high-spatial-dimensional modal parameters of basic structures by efficiently processing and interactively exploiting the full-field measurement (i.e., very dense spatial measurement points). Specifically, we first over-estimate the system model once, producing a pool of candidate modes associated with their modal frequencies and full-field, high-spatial-dimensional mode shapes. This is accomplished by a data-driven method termed affinity propagation clustering (APC), where the active clusters, which are the active modes in our formulations, emerge from the "message-passing" procedure and does not require a pre-determination of the cluster number (mode or model order). Next, rather than using the spectral information to distinguish the physical and spurious modes in the stabilization diagram method, we exploit and visualize the spatial, full-field mode shape associated with each candidate mode to do so. We conduct extensive experiments on basic structural models with comparisons to a few existing methods. The results indicate that the new method is computationally efficient for identifying high-spatial-dimensional modal parameters, and robust to identify weak modes by exploiting the full-field measurement. We also discuss its applicability and limitations for structures with complex geometry (shapes).

42 ENGINEERING↗
DOE OSTI2022

Enhanced ionic conductivity and lack of paddle-wheel effect in pseudohalogen-substituted Li argyrodites

Superionic conductors are key to the development of safe and high-energy-density, all-solid-state batteries. Using a combined theoretical and experimental approach, we explore the feasibility of increasing the ionic conductivity through pseudohalogen substitution in the Li argyrodite structure. Under the guidance of calculated thermodynamic stability, BH 4 -substituted Li argyrodite, Li 5.91 PS 4.91 (BH 4 ) 1.09 , was successfully synthesized via a mechanochemical method. As-synthesized BH 4- substituted Li argyrodite displays an ionic conductivity of 4.8 mS/cm at 25°C. Ab initio molecular dynamics simulation trajectory analysis was used to investigate how BH 4 facilitates Li-ion diffusion and indicates only a weak correlation with the B–H bond motion. Here, we find that the enhanced conductivity mainly originates from the weak interaction between Li and BH 4 and find no evidence of a paddle-wheel effect from the polyanion. This work provides insight into how cluster ions enhance Li diffusion and systematically describes how to explore superionic conductors with pseudohalogen substitution.

25 ENERGY STORAGE↗
DOE OSTI2023

Designing transparent conductors using forbidden optical transitions

Many semiconductors present weak or forbidden transitions at their fundamental band gaps, inducing a widened region of transparency. This occurs in high-performing n-type transparent conductors (TCs) such as Sn-doped In 2 O 3 (ITO); however, thus far, the presence of forbidden transitions has been neglected in the search for new p-type TCs. To address this, we first compute high-throughput absorption spectra across ~18, 000 semiconductors, showing that over half exhibit forbidden or weak optical transitions at their band edges. Next, we demonstrate that compounds with highly localized band-edge states are more likely to present forbidden transitions. Lastly, we search this set for p-type and n-type TCs with forbidden transitions and, by performing defect calculations, propose unexplored TC candidates such as ambipolar BeSiP 2 , p-type wurtzite BAs, and n-type Ba 2 InGaO 5 , among others. In conclusion, we share our dataset and recommend that future screenings for optical properties consider the impact of forbidden transitions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A constitutive model for elastomers tailored by ionic bonds and entanglements

Over the past decade or two, the concept has emerged of using multiple types of weak interactions simultaneously to enhance the mechanical properties of elastomers. These weak interactions include physical entanglements, hydrogen bonds, metal-coordination bonds, dynamic covalent bonds, and ionic bonds. The combination of entanglements and ionic bonding has been minimally explored and is particularly exciting because of the broad application space for polyelectrolytes. In this work, a constitutive model framework is developed to describe the response of elastomers with both ionic bonds and entanglements. Here we formulate a micromechanical model that couples together chain stretching, ionic bond slipping, and entanglement evolution. The ionic bonds provide toughness by enabling plastic deformation in comparison to covalently crosslinked material and add strength compared to a linear polymer. Evolution of the entanglement density is taken as a key mechanism that can govern stiffness, toughness, and self-recovery in elastomers. The model is used to match bulk polyelectrolytes with different fractions of ionic components under a variety of loading histories. The variations in material parameters are then used to help understand the relative importance of different governing mechanisms in the bulk polymers. We show that the theoretical framework can explain our experimental uniaxial tensile experimental results for polyelectrolytes. This model can help to design better material with high stiffness and toughness. We expect that our model can be extended to explain the mechanical behavior of other polyelectrolytes and other soft materials with a wide range of dynamic bonds.

42 ENGINEERING↗
DOE OSTI2026

Anion-dependent phase behavior of methylimidazolium-based ionic liquids mixed with water: Correlation between local molecular structure and mesoscale behaviors

The mesoscopic phase behavior of decylmethylimidazolium (C 10 mim) ionic liquids (ILs) bearing three monovalent anions—thiocyanate (SCN − ), nitrate (NO 3 − ), and chloride (Cl − )—mixed with water at relatively high IL contents (50–95 wt%) was investigated. Small-angle and wide-angle X-ray scattering (SAXS/WAXS) were employed to follow the evolution of both local and mesoscale structures across this composition range. In the absence of water, C 10 mimSCN and C 10 mimCl behaved as disordered liquids, whereas C 10 mimNO 3 spontaneously formed a hexagonally ordered cylindrical mesophase and displayed a sticky-solid macroscopic appearance. Upon addition of water, C 10 mimSCN remained a viscous liquid and only weakly ordered lamellar domains were observed. This limited ordering is attributed to the lack of hydrogen bonding and weak interaction energy between SCN − anions and C 10 mim + cations. In contrast, the trigonal-planar NO 3 − and point-like Cl − anions promoted the formation of well-defined hexagonal mesophases up to 35–45 wt% water. The formation of hydrogen bonding of the two anions with imidazolium ring protons likely enabled the creation of compact ion clusters that effectively exclude water molecules from the immediate vicinity of the IL aggregates. These findings demonstrate that the interaction energy between ion pairs dictate IL-water interactions and therefore control the transition from disordered liquids to ordered mesophases in IL/water mixtures with high IL contents. In conclusion, the combined SAXS/WAXS analysis reveals a correlation between local intermolecular structure and the emergence of mesoscopic order, providing a systematic framework for tailoring mesoscale structures in alkylimidazolium-based IL/water systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Interplaying mechanisms behind inclusive jet R and extraction of jet energy loss distributions

The observed inclusive jet suppression in heavy-ion collisions at LHC has a very weak p T dependence over a large range of p T =50–1000 GeV and is almost independent of the colliding energy, though the initial energy density of the bulk medium has increased from √s=2.76 to 5.02 TeV by about 20%. This interesting phenomenon is investigated in the linear Boltzmann transport (LBT) model for jet propagation in an event-by-event 3+1D hydro background. We show that the p T dependence of jet R AA is determined by the initial spectrum in p+p collisions and p T dependence of jet energy loss. Furthermore, jet energy loss distributions for inclusive jet and γ-jet at both LHC energies are extracted directly from experimental data through the state-of-art Bayesian analysis. Additionally, the averaged jet energy loss has a weak p T dependence and the scaled jet energy loss distributions have a large width, both of which are consistent with the LBT simulations and indicate that jet quenching is caused by only a few out-of-cone jet medium scatterings.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Hong-Ou-Mandel interference with a coexisting clock using transceivers for synchronization over deployed fiber

Interference between independently generated photons is a key step towards distributing entanglement over long distances, but it requires synchronization between the distantly-located photon sources. Synchronizing the clocks of such photon sources using coexisting two-way classical optical communications over the same fiber that transports the quantum photonic signals is a promising approach for achieving photon-photon interference over long distances, enabling entanglement distribution for quantum networking using the deployed fiber infrastructure. Here, we demonstrate photon-photon interference by observing the Hong-Ou-Mandel dip between two distantly-located sources: a weak coherent-state source obtained by attenuating the output of a laser and a heralded single-photon source. We achieve a maximum dip visibility of 0.58 +/- 0.04 when the two sources are connected via 4.3 km of deployed fiber. Dip visibilities > 0.5 are nonclassical and a first step towards achieving teleportation over the deployed fiber infrastructure. In our experiment, the classical optical communication is achieved with - 21 dBm of optical signal launch power, which is used to synchronize the clocks in the two independent, distantly-located photon sources. The impact of spontaneous Raman scattering from the classical optical signals is mitigated by appropriate choice of the quantum- and classical-channel wavelengths. All equipment used in our experiment (the photon sources and the synchronization setup) is commercially available. Finally, our experiment represents a scalable approach to enabling practical quantum networking with commercial equipment and coexistence with classical communications in optical fiber.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Impact of ferromagnetic electrode length and thickness on Magnetic Tunnel Junction-Based Molecular Spintronic Devices (MTJMSD)

A knowledge gap exists about the impact of variation in length and thickness of ferromagnetic(FM) electrodes on molecular spintronics devices’ ability to manifest molecular coupling impact. Magnetic Tunnel Junction-Based Molecular Spintronic Devices (MTJMSDs) are potential candidates for inventing highly correlated materials and devices and investigating the fundamental science of organic spintronics. This paper reports our experi- mental observations providing the dramatic impact of variation in ferromagnetic electrode length and thickness on paramagnetic molecule-based MTJMSD. Room temperature transport studies were performed to investigate the effect of FM electrode thickness. On the other hand, magnetic force microscopy measurements were con- ducted to understand the effect of FM electrode length extending beyond the molecular junction area, i.e., the site where paramagnetic molecules bridged between two FM. In the strong molecular coupling regime, transport study suggested thickness variation caused ~1000 to million-fold differences in junction conductivity. MFM study revealed near-zero magnetic contrast for pillar-shaped MTJMSD without any extended FM electrode. However, MFM images showed a multitude of microscopic magnetic phases on cross junction shaped MTJMSD where FM electrodes extended beyond the junction area. To understand the intriguing experimental results, we conducted an in-depth theoretical study using Monte Carlo Simulation (MCS) approach. MCS study utilized a Heisenberg atomic model of cross junction shaped MTJMSD to gain insights about room temperature transport and MFM experimental observations of microscopic MTJMSD. To make this study applicable for a wide variety of MTJMSDs, we systematically studied the effect of variation in molecular coupling strength between magnetic molecules and ferromagnetic (FM) electrodes of various dimensions. Here, our theoretical results suggest 25 atoms thick FM electrode show very weak molecular coupling impact and of the same order of experimentally studied FM electrode dimensions showing weak effect. Also, MCS results agree with experimentally observed multiple magnetic phases on lengthy FM electrodes of an MTJMSD.

42 ENGINEERING↗