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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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All sourcesNASA NTRSDOE OSTI
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 OSTI2013

Solvable model of quantum phase transitions and the symbolic-manipulation-based study of its multiply degenerate exceptional points and of their unfolding

It is known that the practical use of non-Hermitian (i.e., typically, PT-symmetric) phenomenological quantum Hamiltonians H≠H{sup †} requires an efficient reconstruction of an ad hoc Hilbert-space metric Θ=Θ(H) which would render the time-evolution unitary. Once one considers just the N-dimensional matrix toy models H=H{sup (N)}, the matrix elements of Θ(H) may be defined via a coupled set of N{sup 2} polynomial equations. Their solution is a typical task for computer-assisted symbolic manipulations. The feasibility of such a model-completion construction is illustrated here via a discrete square well model H=p{sup 2}+V endowed with a k-parametric close-to-the-boundary interaction V. The model is shown to possess (possibly, multiply degenerate) exceptional points marking the phase transitions which are attributable, due to the exact solvability of the model at any N<∞, to the loss of the regularity of the metric. In the parameter-dependence of the energy spectrum near these singularities one encounters a broad variety of alternative, topologically non-equivalent scenarios. -- Highlights: •New elementary non-Hermitian quantum Hamiltonians with real spectra proposed. •Exceptional points found and studied. •Non-equivalent stability-loss patterns of phase transition identified. •Hermitization matrices of metrics Θ constructed via symbolic manipulations and extrapolations at all N and k.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
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 OSTI2016

Exceptionally crystalline and conducting acid doped polyaniline films by level surface assisted solution casting approach

Emeraldine salt form of polyaniline (PANI) was synthesized by chemical oxidative polymerisation method using ammonium persulfate as oxidant. Resultant emeraldine salt form of PANI was dedoped using ammonia solution and then re-doped with camphor sulphonic acid (CSA), naphthaline sulphonic acid (NSA), hydrochloric acid (HCl), and m-cresol. Thin films of these doped PANI samples were deposited on glass substrates using solution casting method with m-cresol as solvent. A level surface was employed to get homogeneous thin films of uniform thickness. Detailed X-ray diffraction studies have shown that the films are exceptionally crystalline. The crystalline peaks observed in the XRD spectra can be indexed to simple monoclinic structure. FTIR and Raman spectroscopy studies provide convincing explanation for the exceptional crystallinity observed in these polymer films. FESEM and AFM images give better details of surface morphology of doped PANI films. The DC electrical conductivity of the samples was measured using four point probe technique. It is seen that the samples also exhibit quite high DC electrical conductivity, about 287 S/cm for CSA doped PANI, 67 S/cm for NSA doped PANI 65 S/cm for HCl doped PANI, and just below 1 S/cm for m-cresol doped PANI. Effect of using the level surface for solution casting is studied and correlated with the observed crystallinity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

The blob crashes into the mirror: modeling the exceptional γ-ray flaring activity of 3C 454.3 in 2010 November

3C 454.3 is a prominent flat-spectrum radio quasar that in recent years attracted considerable attention because of its variable high-energy emissions. In this paper, we focus on the exceptional flaring activity of 3C 454.3 that was detected by AGILE and by Fermi-LAT in 2010 November. In the light of the time-varying data ranging from the radio, optical, and X-ray up to GeV γ-ray bands, we discuss a theoretical framework addressing all data in their overall evolution. For two weeks, the source has shown a plateau of enhanced GeV emission preceding a sudden major flare lasting about three days before decaying. The γ-ray flare onset is abrupt (about six hours), and is characterized by a prominent 'Compton dominance' with the GeV flux exceeding the pre-flare values by a factor of four to five. During this episode, the optical and X-ray fluxes increased by a factor of around two. Within the standard framework of a jet launched with a Lorentz bulk factor Γ ∼ 10 from a central black hole, we explore the yields of two alternatives. Case 1, with high-energy emission originating within the broad line region (BLR); and Case 2, with most of it produced outside at larger distances of a few parsecs. We show that Case 1 has considerable problems in explaining the whole set of multifrequency data. Case 2, instead, leads to a consistent and interesting interpretation based on the enhanced inverse Compton radiation that is produced as the jet crashes onto a mirror cloud positioned at parsec scales. This model explains the γ-ray versus optical/X-ray behavior of 3C 454.3, including the otherwise puzzling phenomena such as the prominent 'rphan' optical flare, and the enhanced line emission with no appreciable γ-ray counterpart that preceded the GeV γ-ray flare. It also accounts for the delayed onset of the latter on top of the long plateau. Our modeling of the exceptional 3C 454.3 γ-ray flare shows that while emission inside the canonical BLR is problematic, major and rapid variations can be produced at parsec scales with moderate bulk Lorentz factors Γ ≈ 15. Our 'crashed mirror' model is also applicable to other blazar flares marked by large Compton dominance of the emitted radiation such as the flare of PKS 1830–211 in 2010 October.

79 ASTRONOMY AND ASTROPHYSICS↗
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↗
DOE OSTI2025

FloatGuard: Efficient Whole-Program Detection of Floating-Point Exceptions in AMD GPUs

FloatGuard is a tool that captures floating-point exceptions in AMD HIP kernels. FloatGuard leverages AMD GPU hardware registers to detect floating-point exceptions, overcoming the limitations of AMD's built-in trapping mechanisms through a novel algorithm that combines assembly- and source-level instrumentation with debugger-guided execution.

MIAO, WENJUN [Lawrence Livermore National Laborato↗
DOE OSTI2022

Observation of Weyl exceptional rings in thermal diffusion

A non-Hermitian Weyl equation indispensably requires a three-dimensional (3D) real/synthetic space, and it is thereby perceived that a Weyl exceptional ring (WER) will not be present in thermal diffusion given its purely dissipative nature. Here, we report a recipe for establishing a 3D parameter space to imitate thermal spinor field. Two orthogonal pairs of spatiotemporally modulated advections are employed to serve as two synthetic parameter dimensions, in addition to the inherent dimension corresponding to heat exchanges. We first predict the existence of WER in our hybrid conduction–advection system and experimentally observe the WER thermal signatures verifying our theoretical prediction. When coupling two WERs of opposite topological charges, the system further exhibits surface-like and bulk topological states, manifested as stationary and continuously changing thermal processes, respectively, with good robustness. Our findings reveal the long-ignored topological nature in thermal diffusion and may empower distinct paradigms for general diffusion and dissipation controls.

42 ENGINEERING↗