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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Exceptional Lithium Storage in a Co(OH) 2 Anode: Hydride Formation

Current lithium ion battery technology is tied in with conventional reaction mechanisms such as insertion, conversion, and alloying reactions even though most future applications like EVs demand much higher energy densities than current ones. Exploring the exceptional reaction mechanism and related electrode materials can be critical for pushing current battery technology to a next level. Here, we introduce an exceptional reaction with a Co(OH) 2 material which exhibits an initial charge capacity of 1112 mAh g –1 , about twice its theoretical value based on known conventional conversion reaction, and retains its first cycle capacity after 30 cycles. The combined results of synchrotron X-ray diffraction and X-ray absorption spectroscopy indicate that nanosized Co metal particles and LiOH are generated by conversion reaction at high voltages, and Co x H y , Li 2 O, and LiH are subsequently formed by hydride reaction between Co metal, LiOH, and other lithium species at low voltages, resulting in a anomalously high capacity beyond the theoretical capacity of Co(OH) 2 . This is further corroborated by AIMD simulations, localized STEM, and XPS. Furthermore, these findings will provide not only further understanding of exceptional lithium storage of recent nanostructured materials but also valuable guidance to develop advanced electrode materials with high energy density for next-generation batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Exceptional coupling in photonic anisotropic metamaterials for extremely low waveguide crosstalk

Electromagnetic coupling is ubiquitous in photonic systems and transfers optical signals from one device to the other, creating crosstalk between devices. While this allows the functionality of some photonic components such as couplers, it limits the integration density of photonic chips, and many approaches have been proposed to reduce the crosstalk. However, due to the wave nature of light, complete elimination of crosstalk between closely spaced, identical waveguides is believed to be impossible and has not been observed experimentally. Here we show an exceptional coupling that can completely suppresses the crosstalk utilizing highly anisotropic photonic metamaterials. The anisotropic dielectric perturbations in the metamaterial mutually cancel the couplings from different field components, resulting in an infinitely long coupling length. We demonstrate the extreme suppression of crosstalk via exceptional coupling on a silicon-on-insulator platform, which is compatible with a complementary metal-oxide-semiconductor process. The idea of exceptional coupling with anisotropic metamaterials can be applied to many other electromagnetic devices, and it could drastically increase the integration density of photonic chips.

Mia, Md Borhan (ORCID:0000000320851331)↗
DOE OSTI2019

Exceptional Chern-Simons-Matter dualities

We use conformal embeddings involving exceptional affine Kac-Moody algebras to derive new dualities of three-dimensional topological field theories. These generalize the familiar level-rank duality of Chern-Simons theories based on classical gauge groups to the setting of exceptional gauge groups. For instance, one duality sequence we discuss is ( E N ) 1 ↔ S U ( 9 - N ) - 1 . Others such as S O ( 3 ) 8 ↔ P S U ( 3 ) - 6 , are dualities among theories with classical gauge groups that arise dueto their embedding into an exceptional chiral algebra. We apply these equivalences between topological field theories to conjecture new boson-boson Chern-Simons-matter dualities. We also use them to determine candidate phase diagrams of time-reversal invariant G 2 gauge theory coupled to either an adjoint fermion, or two fundamental fermions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Optimal sensing on an asymmetric exceptional surface

We study the connection between exceptional points (EPs) and optimal parameter estimation, in a simple system consisting of two counterpropagating traveling wave modes in a microring resonator. The unknown parameter to be estimated is the strength of a perturbing cross-coupling between the two modes. Partially reflecting the output of one mode into the other creates a non-Hermitian Hamiltonian that exhibits a family of EPs, creating an exceptional surface (ES). We use a fully quantum treatment of field inputs and noise sources to obtain a quantitative bound on the estimation error by calculating the quantum Fisher information (QFI) in the output fields, whose inverse gives the Cramér-Rao lower bound on the mean-squared error of any unbiased estimator. We determine the bounds for two input states, namely, a semiclassical coherent state and a highly nonclassical NOON state. We find that the QFI is enhanced in the presence of an EP for both of these input states and that both states can saturate the Cramér-Rao bound. We then identify idealized yet experimentally feasible measurements that achieve the minimum bound for these two input states. We also investigate how the QFI changes for parameter values that do not lie on the ES, finding that these can have a larger QFI, suggesting alternative routes to optimize the parameter estimation for this problem.

Exceptional points↗
DOE OSTI2024

Exceptional Alignment in a Donor–Acceptor Conjugated Polymer via a Previously Unobserved Liquid Crystal Mesophase

Abstract Orienting polymer semiconductors is desirable to optimize device characteristics, provide insight into microstructure, and magnify subtle phase behavior. Here, a combination of uniaxial strain and subsequent heating of the donor–acceptor (DA) polymer PBnDT‐FTAZ is discovered to lead to exceptional optical dichroic ratios of up to 38 (and close to 50 near the polymer's absorption edge). This alignment is achieved due to the existence of a previously undetected thermotropic liquid crystal (LC) mesophase. The LC transition, not discernable through calorimetry, is uncovered through a combination of in situ UV–vis spectroscopy, X‐ray scattering, and dynamic mechanical analysis (DMA). Comparing PBnDT‐FTAZ to the non‐fluorinated PBnDT‐HTAZ and the homo polymer PBnDT, all of which show similar thermal transitions, reveals that exceptional alignment is only found in PBnDT‐FTAZ. This is attributed to the PBnDT‐FTAZ film having two distinct liquid crystal populations, and the polymer templating to a highly aligned, high‐clearing temperature population when heated. The DMA thermal relaxation behavior observed here is also seen in other DA conjugated polymers suggesting that such thermotropic LC mesophases may be common in these materials. These findings demonstrate a polymer semiconductor with remarkable alignment and uncover phase behavior with broad implications for process‐structure‐property relationships in polymer semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2019

“Lattice Strain Matching”‐Enabled Nanocomposite Design to Harness the Exceptional Mechanical Properties of Nanomaterials in Bulk Forms

Abstract Nanosized materials are known to have the ability to withstand ultralarge elastic strains (4–10%) and to have ultrahigh strengths approaching their theoretical limits. However, it is a long‐standing challenge to harnessing their exceptional intrinsic mechanical properties in bulk forms. This is commonly known as “the valley of death” in nanocomposite design. In 2013, a breakthrough was made to overcome this challenge by using a martensitic phase transforming matrix to create a composite in which ultralarge elastic lattice strains up to 6.7% are achieved in Nb nanoribbons embedded in it. This breakthrough was enabled by a novel concept of phase transformation assisted lattice strain matching between the uniform ultralarge elastic strains (4–10%) of nanomaterials and the uniform crystallographic lattice distortion strains (4–10%) of the martensitic phase transformation of the matrix. This novel concept has opened new opportunities for developing materials of exceptional mechanical properties or enhanced functional properties that are not possible before. The work in progress in this research over the past six years is reported.

Zhang, Junsong↗
DOE OSTI2017

Quantum models with energy-dependent potentials solvable in terms of exceptional orthogonal polynomials

We construct energy-dependent potentials for which the Schrödinger equations admit solutions in terms of exceptional orthogonal polynomials. Our method of construction is based on certain point transformations, applied to the equations of exceptional Hermite, Jacobi and Laguerre polynomials. We present several examples of boundary-value problems with energy-dependent potentials that admit a discrete spectrum and the corresponding normalizable solutions in closed form.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Decoration of Fe3O4 and CoWO4 nanoparticles over graphitic carbon nitride: Novel visible-light-responsive photocatalysts with exceptional photocatalytic performances

Highlights: • g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4}/CoWO{sub 4} nanocomposites as efficient photocatalysts are reported. • The g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4}/NiWO{sub 4} (10%) nanocomposite exhibited the highest activity. • Activity was 12.5-folds greater than g-C{sub 3}N{sub 4} in RhB degradation under visible light. • The nanocomposite is magnetically separated from the treated solution. - Abstract: In this work, nanoparticles of Fe{sub 3}O{sub 4} and CoWO{sub 4} were decorated over graphitic carbon nitride (g-C{sub 3}N{sub 4}) to fabricate very efficient visible-light-responsive photocatalysts through a facile refluxing-calcination method. Among the fabricated photocatalysts, the g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4}/CoWO{sub 4} (10%) nanocomposite displayed superior activity in degradation of RhB, which is 12.5 and 11.5 times superior than the pristine g-C{sub 3}N{sub 4} and g-C{sub 3}N{sub 4}/Fe{sub 3}O{sub 4} photocatalysts, respectively. Additionally, exceptional performance of the ternary photocatalyst was confirmed in degradations of three organic pollutants under visible light. Higher harvesting ability of visible light and effective separation of electron/hole pairs from recombination are two main factors responsible for the observed exceptional photocatalytic activity of the ternary nanocomposite. Due to enough saturation magnetization of the ternary nanocomposite, the photocatalyst was entirely separated from the degradation system by a conventional magnet. Finally, photostability of the ternary photocatalyst during four successive runs was confirmed.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Exceptional thermal stability of additively manufactured CoCrFeMnNi high-entropy alloy with cellular dislocation structures

CoCrFeMnNi high-entropy alloy (HEA) was additively manufactured (AM) by laser powder-bed fusion (L-PBF). The AM CoCrFeMnNi has prominent cellular dislocation structures with a small number of Mn-rich oxides. The thermal stability of the AM CoCrFeMnNi was investigated by isochronal annealing treatment at various temperatures from 400 to 1300°C for 1h. Microstructural analysis shows slow dislocation recovery, retarded recrystallization process, and precipitation of additional Cr-Mn based oxides during thermal annealing, resulting in exceptional thermal stability and retained high hardness at elevated temperatures. Further, by thermodynamic calculations, a low stored energy of 1.31 MJ/m 3 and a high activation energy of 353 kJ/mol for recrystallization were estimated for the AM CoCrFeMnNi. The exceptional thermal stability of the AM CoCrFeMnNi HEA is mechanistically attributed to the low crystallographic misorientations across the dislocation cell walls, sluggish atomic diffusion, and the pinning effects of the oxide nanoprecipitates.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Carbon-pore-sheathed cobalt nanoseeds: An exceptional and durable bifunctional catalyst for zinc-air batteries

Exceptional and durable catalysts for Zinc-air batteries are plagued by nanoparticle agglomeration. As a proof-of-concept, we designed carbon-pore-sheathed cobalt nanoseeds by loading cobalt nanoparticles into N-doped defective carbon pores. Introduced N-doping, Co-N-C bond and graphitic/graphenic carbon defects endow the catalyst with exceptional catalytic activity. Most importantly, the design of Co confined within carbon pores effectively solved the dilemma of nanomaterial stability. By balancing the high catalytic activity and stable cyclability, this unique catalyst is among the outstanding bifunctional catalysts, with a high ORR half-wave potential of 0.847 V and a low OER potential at 10 mA/cm 2 of 1.593 V. As demonstrated in the full cell, a peak power density of 135 mW/cm 2 at a current density of 200 mA/cm 2 and 450 h of stable cycling performance without fading at a current density of 30 mA/cm 2 was delivered.

25 ENERGY STORAGE↗
DOE OSTI2018

Exceptional Fluorocarbon Uptake with Mesoporous Metal-Organic Frameworks for Adsorption-Based Cooling Systems

For the first time, a series of well-reported mesoporous metal–organic frameworks (MOFs) have been tested for R134a fluorocarbon adsorption. Differences in sorption behavior were attributed to varying porosities and topologies. All mesoporous MOFs exhibited excellent, reversible R134a adsorption capacities and among them, NU-1000 provided an exceptional fluorocarbon uptake of ~170 wt% near saturation, which is among the highest values reported so far for MOFs. N2 sorption, high-resolution STEM, and micro calorimetry were used to further explore the relation between the features of NU-1000 and the exceptionally high R134a uptake capacity. Such high performance materials with the appropriate equilibrium isotherm behavior provide significant potential for adsorption cooling systems operating on pressure swing cycles. These results provide evidence that mesoporous MOFs, especially those with hierarchical structure, are promising candidates for chiller applications.

adsorption cooling, fluorocarbons, mesoporous, met↗
DOE OSTI2019

Machine Learning Accelerates the Discovery of Design Rules and Exceptions in Stable Metal–Oxo Intermediate Formation

Metal–oxo moieties are important catalytic intermediates in the selective partial oxidation of hydrocarbons and in water splitting. Stable metal–oxo species have reactive properties that vary depending on the spin state of the metal, complicating the development of structure–property relationships. To overcome these challenges, we train machine-learning (ML) models capable of predicting metal–oxo formation energies across a range of first-row metals, oxidation states, and spin states. Using connectivity-only features tailored for inorganic chemistry as inputs to kernel ridge regression or artificial neural network (ANN) ML models, we achieve good mean absolute errors (4–5 kcal/mol) on set-aside test data across a range of ligand orientations. Analysis of feature importance for oxo formation energy prediction reveals the dominance of nonlocal, electronic ligand properties in contrast to other transition metal complex properties (e.g., spin-state or ionization potential). We enumerate the theoretical catalyst space with an ANN, revealing expected trends in oxo formation energetics, such as destabilization of the metal–oxo species with increasing d-filling, as well as exceptions, such as weak correlations with indicators of oxidative stability of the metal in the resting state or unexpected spin-state dependence in reactivity. We carry out uncertainty-aware evolutionary optimization using the ANN to explore a >37 000 candidate catalyst space. New metal and oxidation state combinations are uncovered and validated with density functional theory (DFT), including counterintuitive oxo formation energies for oxidatively stable complexes. This approach doubles the density of confirmed DFT leads in originally sparsely populated regions of property space, highlighting the potential of ML-model-driven discovery to uncover catalyst design rules and exceptions.

transition metal catalysis↗
DOE OSTI2016

Exceptionally Long-Lived Charge Separated State in Zeolitic Imidazolate Framework: Implication for Photocatalytic Applications

Zeolitic Imidazolate Frameworks (ZIFs) have emerged as a novel class of porous metal-organic frameworks (MOFs) for catalysis application because of their exceptional thermal and chemical stability. Inspired by the broad absorption of ZIF-67 in UV-visible-near IR region, we explored its excited state and charge separation dynamics, properties essential for photocatalytic applications, using optical (OTA) and X-ray transient absorption (XTA) spectroscopy. OTA results show that an exceptionally long-lived excited state is formed after photoexcitation. This long-lived excited state was confirmed to be the charge separated state with ligandto-metal charge transfer character using XTA. The surprisingly long-lived charge separated state, together with its intrinsic hybrid nature, all point to its potential application in heterogeneous photocatalysis and energy conversion.

Pattengale, Brian↗
DOE OSTI2017

Hyperconnected molecular glass network architectures with exceptional elastic properties

Hyperconnected network architectures can endow nanomaterials with remarkable mechanical properties that are fundamentally controlled by designing connectivity into the intrinsic molecular structure. For hybrid organic–inorganic nanomaterials, here we show that by using 1,3,5 silyl benzene precursors, the connectivity of a silicon atom within the network extends beyond its chemical coordination number, resulting in a hyperconnected network with exceptional elastic stiffness, higher than that of fully dense silica. The exceptional intrinsic stiffness of these hyperconnected glass networks is demonstrated with molecular dynamics models and these model predictions are calibrated through the synthesis and characterization of an intrinsically porous hybrid glass processed from 1,3,5(triethoxysilyl) benzene. Altogether, the proposed molecular design strategy applies to any materials system wherein the mechanical properties are controlled by the underlying network connectivity.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Robust lasing modes in coupled colloidal quantum dot microdisk pairs using a non-Hermitian exceptional point

Evanescently coupled pairs of microdisk lasers have emerged as a useful platform for studying the non-Hermitian physics of exceptional points. It remains an open question how scalable and versatile such phenomena can be when carried over to other designs. Here we have studied the effect of gain/loss modulation in an evanescently coupled pair of microdisk optical resonators fabricated from solution-processed colloidal quantum dots. The emission spectra of these structures are sensitive to small imperfections, which cause frequency-splitting of the whispering gallery modes. Despite this inherent disorder, we found that when spatially modulating the optical pump to vary the gain differential between the coupled microdisks, the coupling drives the split parasitic intra-cavity modes into coalescence at an exceptional point of the resulting three-mode system. This unusual behavior is rationalized via a Hamiltonian that incorporates the intra-cavity coupling as well as the anisotropic inter-cavity coupling between modes in the microdisk pair.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Neutron stars with exceptionally light QCD axions

We present a comprehensive study of axion condensed neutron stars that arise in models of an exceptionally light axion that couples to quantum chromodynamics (QCD). These axions solve the strong-charge-parity (𝐶⁢𝑃) problem, but have a mass-squared lighter than that due to QCD by a factor of 𝜖 < 1. Inside dense matter, the axion potential is altered, and much of the matter in neutron stars resides in the axion condensed phase where the strong-𝐶⁢𝑃 parameter 𝜃 = 𝜋 and 𝐶⁢𝑃 remains a good symmetry. In these regions, masses and interactions of nucleons are modified, in turn changing the equation of state (EOS), structure, and phenomenology of the neutron stars. We take the first steps toward the study of the EOS of neutron star matter at 𝜃 = 𝜋 within chiral effective field theory and use relativistic mean field theory to deduce the resulting changes to nuclear matter and the neutron star low-density EOS. We derive constraints on the exceptionally light axion parameter space based on observations of the thermal relaxation of accreting neutron stars, isolated neutron star cooling, and pulsar glitches, excluding the region up to 5 ×10 −7 ≲ 𝜖 ≲ 0.2 for 𝑚 𝑎 ≳ 2 × 10 −9 eV. We comment on potential changes to the neutron star mass-radius relationship, and discuss the possibility of novel, nuclear-density compact objects with 𝜃 = 𝜋 that are stabilized not by gravity but by the axion potential.

axions↗
DOE OSTI2026

Squeezing-Enhanced Sensing at an Exceptional Point

Pushing the boundaries of measurement precision is central for sensing and metrology, pursued by nonclassical resources such as squeezing, as well as non-Hermitian degeneracies with distinct spectral response. Their convergence, however, remains challenging. We find extraordinary enhancement of sensitivity by unifying both effects in a general framework for quantum sensing in open systems. At the parametric oscillation threshold and an exceptional point, the sensing precision exhibits a unique quartic scaling with the perturbation strength. The result generalizes to multimode squeezed-state sensors with higher-order exceptional points catered to various quantum sensing platforms.

Wang, Changqing [Fermilab] (ORCID:0000000198073045↗
DOE OSTI2022

Exceptional fracture toughness of CrCoNi-based medium- and high-entropy alloys at 20 kelvin

Medium- and high-entropy alloys based on the CrCoNi-system have been shown to display outstanding strength, tensile ductility and fracture toughness (damage-tolerance properties), especially at cryogenic temperatures. Here we examine the J Ic and (back-calculated) K JIc fracture toughness values of the face-centered cubic, equiatomic CrCoNi and CrMnFeCoNi alloys at 20 K. At flow stress values of ~1.5 GPa, crack-initiation K JIc toughnesses were found to be exceptionally high, respectively 235 and 415 MPa√m for CrMnFeCoNi and CrCoNi, with the latter displaying a crack-growth toughness K ss exceeding 540 MPa√m after 2.25 mm of stable cracking, which to our knowledge is the highest such value ever reported. Characterization of the crack-tip regions in CrCoNi by scanning electron and transmission electron microscopy reveal deformation structures at 20 K that are quite distinct from those at higher temperatures and involve heterogeneous nucleation, but restricted growth, of stacking faults and fine nanotwins, together with transformation to the hexagonal closed-packed phase. The coherent interfaces of these features can promote both the arrest and transmission of dislocations to generate respectively strength and ductility which strongly contributes to sustained strain hardening. Indeed, we believe that these nominally single-phase, concentrated solid-solution alloys develop their fracture resistance through a progressive synergy of deformation mechanisms, including dislocation glide, stacking-fault formation, nano-twinning and eventually in situ phase transformation, all of which serve to extend continuous strain hardening which simultaneously elevates strength and ductility (by delaying plastic instability), leading to truly exceptional resistance to fracture.

36 MATERIALS SCIENCE↗