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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Ultralow-temperature cryogenic transmission electron microscopy using a new helium flow cryostat stage

Advances in cryogenic electron microscopy have opened new avenues for probing quantum phenomena in correlated materials. This study reports the installation and performance of a new side-entry condenZero cryogenic cooling system for JEOL (Scanning) Transmission Electron Microscopes (S/TEM), utilizing compressed liquid helium (LHe) and designed for imaging and spectroscopy at ultra-low temperatures. The system includes an external dewar mounted on a vibration-damping stage and a pressurized, low-noise helium transfer line with a remotely controllable needle valve, ensuring stable and efficient LHe flow with minimal thermal and mechanical noise. Performance evaluation demonstrates a stable base temperature of 4.37 K measured using a Cernox bare chip sensor on the holder with temperature fluctuations within ±0.004 K. Complementary in-situ electron energy-loss spectroscopy (EELS) via aluminum bulk plasmon analysis was used to measure the local specimen temperature and validate cryogenic operation during experiments. The integration of cryogenic cooling with other microscopy techniques, including electron diffraction and Lorentz TEM, was demonstrated by resolving charge density wave (CDW) transitions in NbSe2 using electron diffraction, and imaging nanometric magnetic skyrmions in MnSi via Lorentz TEM. In conclusion, this platform provides reliable cryogenic operation below 7 K, establishing a low-drift route for direct visualization of electronic and magnetic phase transformations in quantum materials.

Charge density wave↗
DOE OSTI2013

Exploring inequality violations by classical hidden variables numerically

There are increasingly suggestions for computer simulations of quantum statistics which try to violate Bell type inequalities via classical, common cause correlations. The Clauser–Horne–Shimony–Holt (CHSH) inequality is very robust. However, we argue that with the Einstein–Podolsky–Rosen setup, the CHSH is inferior to the Bell inequality, although and because the latter must assume anti-correlation of entangled photon singlet states. We simulate how often quantum behavior violates both inequalities, depending on the number of photons. Violating Bell 99% of the time is argued to be an ideal benchmark. We present hidden variables that violate the Bell and CHSH inequalities with 50% probability, and ones which violate Bell 85% of the time when missing 13% anti-correlation. We discuss how to present the quantum correlations to a wide audience and conclude that, when defending against claims of hidden classicality, one should demand numerical simulations and insist on anti-correlation and the full amount of Bell violation. -- Highlights: •The widely assumed superiority of the CHSH fails in the EPR problem. •We simulate Bell type inequalities behavior depending on the number of photons. •The core of Bell’s theorem in the EPR setup is introduced in a simple way understandable to a wide audience. •We present hidden variables that violate both inequalities with 50% probability. •Algorithms have been supplied in form of Mathematica programs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Triplet p + ip pairing correlations in the doped Kane-Mele-Hubbard model: A quantum Monte Carlo study

By using the constrained-phase quantum Monte Carlo method, we performed a systematic study of the pairing correlations in the ground state of the doped Kane-Mele-Hubbard model on a honeycomb lattice. We find that pairing correlations with d + id symmetry dominate close to half filling, but pairing correlations with p+ip symmetry dominate as hole doping moves the system below three-quarters filling. We correlate these behaviors of the pairing correlations with the topology of the Fermi surfaces of the non-interacting problem. We also find that the effective pairing correlation is enhanced greatly as the interaction increases, and these superconducting correlations are robust against varying the spin-orbit coupling strength. Finally, our numerical results suggest a possible way to realize spin triplet superconductivity in doped honeycomb-like materials or ultracold atoms in optical traps.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Butterfly velocities for holographic theories of general spacetimes

The butterfly velocity characterizes the spread of correlations in a quantum system. Recent work has provided a method of calculating the butterfly velocity of a class of boundary operators using holographic duality. Utilizing this and a presumed extension of the canonical holographic correspondence of AdS/CFT, we investigate the butterfly velocities of operators with bulk duals living in general spacetimes. We analyze some ubiquitous issues in calculating butterfly velocities using the bulk effective theory, and then extend the previously proposed method to include operators in entanglement shadows. Here in this paper, we explicitly compute butterfly velocities for bulk local operators in the holographic theory of flat Friedmann-Robertson-Walker spacetimes and find a universal scaling behavior for the spread of operators in the boundary theory, independent of dimension and fluid components. This result may suggest that a Lifshitz field theory with z = 4 is the appropriate holographic dual for these spacetimes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Many-body chaos and energy dynamics in holography

Recent developments have indicated that in addition to out-of-time ordered correlation functions (OTOCs), quantum chaos also has a sharp manifestation in the thermal energy density two-point functions, at least for maximally chaotic systems. The manifestation, referred to as pole-skipping, concerns the analytic behaviour of energy density two-point functions around a special point ω = iλ, k = iλ/v B in the complex frequency and momentum plane. Here λ and v B are the Lyapunov exponent and butterfly velocity characterising quantum chaos. In this paper we provide an argument that the phenomenon of pole-skipping is universal for general finite temperature systems dual to Einstein gravity coupled to matter. In doing so we uncover a surprising universal feature of the linearised Einstein equations around a static black hole geometry. We also study analytically a holographic axion model where all of the features of our general argument as well as the pole-skipping phenomenon can be verified in detail.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Fantômas unconfined: global QCD fits with Bézier parameterizations

Fantômas is a C++ toolkit for exploring the parametrization dependence of parton distribution functions (PDFs) and other correlator functions in quantum chromodynamics (QCD). Fantômas facilitates the generation of adaptable polynomial parametrizations for PDFs, called metamorphs, to find best-fit PDF solutions and quantify the epistemic uncertainty associated with the parametrizations during their fitting. The method employs Bézier curves as universal approximators for a variety of PDF shapes. Integrated into the xFitter framework for the global QCD analysis, Fantômas provides a foundation for general models of PDFs, while reducing the computational time compared to the approaches utilizing traditional polynomial parametrizations as well as providing an interpretable alternative to neural-network-based models. This paper outlines the structure and practical usage of the Fantômas toolkit, including its inputs, outputs, and implementation within xFitter. It also provides a practical example of using Fantômas for uncertainty quantification as well as the combination of PDF fits into a single ensemble.

Bézier curves↗
DOE OSTI2022

Systematic trends of 0 2 + , 1 1 - , 3 1 - and 2 1 + excited states in even-even nuclei

Here, the spin and parity ( J π ) assignments in even-even nuclei were reviewed across the nuclear chart using the Evaluated Nuclear Structure Data File (ENSDF). The prevalence of 2$+\atop{1}$ first or lowest excited states is confirmed. The properties of 0$+\atop{2}$, 1$-\atop{1}$, and 3$-\atop{1}$ lowest excited states were reexamined using the ENSDF data evaluation procedures. The J π systematic trends and correlations between level quantum numbers and nuclear physics phenomena are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Magnetic field driven emergent phenomena: Insights from magneto-optics and nanoscopy

This review explores magnetic field-driven emergent phenomena across various material systems, emphasizing the pivotal roles of magneto-optical and nanoscopy techniques. We examine fundamental aspects of Landau electrodynamics in both 2D and 3D systems, including quantum Hall and topological magnetoelectric effects in graphene and topological insulators. Particularly attention is given to magnetic excitations and magnetopolaritons, such as surface magnon polaritons, magnetoplasmons, and magnetoexcitons in novel quantum materials, including quantum magnets and hybrid heterostructures. Advanced imaging techniques, such as scattering-type scanning near-field optical microscopy (SNOM) and microwave impedance microscopy, are showcased for their capability to resolve these phenomena with microscopic and nanoscopic resolution. These insights are complemented by discussions of advanced experimental approaches, including cryogenic environments, ultrafast pump-probe techniques, and the integration of magnetic fields into near-field optical methodologies. We further investigate the potential of these imaging techniques for unraveling complex magnetic orders, quantum phases, and correlated electronic behaviors. Finally, we offer perspectives on future research directions and highlight emerging opportunities in the evolving field of optical magneto-nanoscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Direct spectroscopic evidence for isolated silanols in SiO x /Al 2 O 3 and their formation mechanism

Here, the preparation and unambiguous characterization of isolated Brønsted-acidic silanol species on silica–alumina catalysts presents a key challenge in the rational design of solid acid catalysts. In this report, atomic layer deposition (ALD) and liquid-phase preparation (chemical liquid deposition, CLD) are used to install the SiO x sites on Al 2 O 3 catalysts using the same Si source (tetraethylorthosilicate, TEOS). The ALD-derived and CLD-derived SiO x sites are probed with dynamic nuclear polarization (DNP)-enhanced 29 Si– 29 Si double-quantum/single-quantum (DQ/SQ) correlation NMR spectroscopy. The investigation reveals conclusively that the SiO x /Al 2 O 3 material prepared by ALD and CLD, followed by calcination under an O 2 stream, contains fully spatially isolated Si species, in contrast with those resulting from the calcination under static air, which is widely accepted as a postgrafting treatment for CLD. Insight into the formation mechanism of these sites is obtained via in situ monitoring of the TEOS + γ-Al 2 O 3 reaction in an environmental diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) cell. Upon calcination, the DRIFTS spectra of SiO x /Al 2 O 3 reveal a signature unambiguously assignable to isolated Brønsted-acidic silanol species. Surprisingly, the results of this study indicate that the method of preparing SiO x /Al 2 O 3 catalysts is less important to the final structure of the silanol sites than the post-treatment conditions. This finding should greatly simplify the methods for synthesizing site-isolated, Brønsted-acidic SiO x /Al 2 O 3 catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Positional Effects from σ-Bonded Platinum(II) on Intersystem Crossing Rates in Perylenediimide Complexes: Synthesis, Structures, and Photophysical Properties

In this research, the synthesis and photophysical properties of a series of new chromophores featuring Pt(II) σ-bonded to perylenediimide (PDI) cores are reported. A Pt(PPh 3 ) 2 X (X = Cl, Br) moiety was attached to PDI in either the ortho or the bay position (2- or 1-positions respectively) or a Pt(PPh 3 ) 2 subunit was used to bridge two bay positions (1- and 12-positions) forming a Pt(II) cyclometalate. Through a combination of steady-state and transient absorption and photoluminescence spectroscopy, the excited-state dynamics of these molecules were revealed, indicating that the Pt atom location on the PDI has a substantial impact on observed intersystem crossing (ISC) rates. The ISC time constants for the bay-substituted and cyclometalated PDIs are between 2.67 and 1.29 ns, respectively, determined by the singlet fluorescence decays from the initially populated singlet excited states. In the case of the ortho -substituted PDI, ISC to the triplet state occurs on the ultrafast time scale with a time constant of 345 fs, determined through ultrafast transient absorption spectroscopy. In all examples, the measured PDI-based fluorescence quantum yields quantitatively correlate with the measured ISC rates leaving little doubt that variation in the Pt(II) substitution position(s) markedly influence the resultant photophysics. Electronic structure calculations suggest differing amounts of metal-based contributions in the lowest excited states as a function of substitution position, supporting the trend of the observed ISC rates.

14 SOLAR ENERGY↗
DOE OSTI2022

Automated Experiment in 4D-STEM: Exploring Emergent Physics and Structural Behaviors

Automated experiments in 4D scanning transmission electron microscopy (STEM) are implemented for rapid discovery of local structures, symmetry-breaking distortions, and internal electric and magnetic fields in complex materials. Deep kernel learning enables active learning of the relationship between local structure and 4D-STEM-based descriptors. With this, efficient and “intelligent” probing of dissimilar structural elements to discover desired physical functionality is made possible. This approach allows effective navigation of the sample in an automated fashion guided by either a predetermined physical phenomenon, such as strongest electric field magnitude, or in an exploratory fashion. Therefore, we verify the approach first on preacquired 4D-STEM data and further implement it experimentally on an operational STEM. The experimental discovery workflow is demonstrated using graphene and subsequently extended toward a lesser-known layered 2D van der Waals material, MnPS 3 . This approach establishes a pathway for physics-driven automated 4D-STEM experiments that enable probing the physics of strongly correlated systems and quantum materials and devices, as well as exploration of beam-sensitive materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Emergent superconductivity in topological-kagome-magnet/metal heterostructures

Itinerant kagome lattice magnets exhibit many novel correlated and topological quantum electronic states with broken time-reversal symmetry. Superconductivity, however, has not been observed in this class of materials, presenting a roadblock in a promising path toward topological superconductivity. Here, we report that novel superconductivity can emerge at the interface of kagome Chern magnet TbMn 6 Sn 6 and metal heterostructures when elemental metallic thin films are deposited on either the top (001) surface or the side surfaces. Superconductivity is also successfully induced and systematically studied by using various types of metallic tips on different TbMn 6 Sn 6 surfaces in point-contact measurements. The anisotropy of the superconducting upper critical field suggests that the emergent superconductivity is quasi-two-dimensional. Remarkably, the interface superconductor couples to the magnetic order of the kagome metal and exhibits a hysteretic magnetoresistance in the superconducting states. Taking into account the spin-orbit coupling, the observed interface superconductivity can be a surprising and more realistic realization of the p-wave topological superconductors theoretically proposed for two-dimensional semiconductors proximity-coupled to s-wave superconductors and insulating ferromagnets. Our findings of robust superconductivity in topological-Chern-magnet/metal heterostructures offer a new direction for investigating spin-triplet pairing and topological superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Scalable energy-efficient magnetoelectric spin–orbit logic

Since the early 1980s, most electronics have relied on the use of complementary metal–oxide–semiconductor (CMOS) transistors. However, the principles of CMOS operation, involving a switchable semiconductor conductance controlled by an insulating gate, have remained largely unchanged, even as transistors are miniaturized to sizes of 10 nanometres. We investigated what dimensionally scalable logic technology beyond CMOS could provide improvements in efficiency and performance for von Neumann architectures and enable growth in emerging computing such as artifical intelligence. Such a computing technology needs to allow progressive miniaturization, reduce switching energy, improve device interconnection and provide a complete logic and memory family. Here we propose a scalable spintronic logic device that operates via spin–orbit transduction (the coupling of an electron’s angular momentum with its linear momentum) combined with magnetoelectric switching. The device uses advanced quantum materials, especially correlated oxides and topological states of matter, for collective switching and detection. We describe progress in magnetoelectric switching and spin–orbit detection of state, and show that in comparison with CMOS technology our device has superior switching energy (by a factor of 10 to 30), lower switching voltage (by a factor of 5) and enhanced logic density (by a factor of 5). Additionally, its non-volatility enables ultralow standby power, which is critical to modern computing. The properties of our device indicate that the proposed technology could enable the development of multi-generational computing.

42 ENGINEERING↗
DOE OSTI2021

Microwave impedance microscopy and its application to quantum materials

We report materials in which quantum mechanical effects lead to novel properties on the macroscopic scale are of interest both fundamentally and for applications. For such quantum materials, the ability to measure local conductivity and permittivity with nanoscale spatial resolution, minimal sample preparation, in a contact-free fashion and under a wide range of external conditions (such as temperature and magnetic field) is highly desirable. To this end, microwave impedance microscopy, a scanning probe technique that measures tip–sample admittance (inverse of impedance) in a non-contact geometry at microwave frequencies, has matured over the past decade to become a tool that can do just that. This Technical Review describes its fundamental working principles and practical implementations, discusses its application to a wide range of quantum materials, including correlated, topological and 2D van der Waals materials, and outlines future opportunities in expanding the capabilities of microwave impedance microscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Deformations of polyhedra and polygons by the unitary group

We introduce the set of framed (convex) polyhedra with N faces as the symplectic quotient C{sup 2N}//SU(2). A framed polyhedron is then parametrized by N spinors living in C{sup 2} satisfying suitable closure constraints and defines a usual convex polyhedron plus extra U(1) phases attached to each face. We show that there is a natural action of the unitary group U(N) on this phase space, which changes the shape of faces and allows to map any (framed) polyhedron onto any other with the same total (boundary) area. This identifies the space of framed polyhedra to the Grassmannian space U(N)/ (SU(2)×U(N−2)). We show how to write averages of geometrical observables (polynomials in the faces' area and the angles between them) over the ensemble of polyhedra (distributed uniformly with respect to the Haar measure on U(N)) as polynomial integrals over the unitary group and we provide a few methods to compute these integrals systematically. We also use the Itzykson-Zuber formula from matrix models as the generating function for these averages and correlations. In the quantum case, a canonical quantization of the framed polyhedron phase space leads to the Hilbert space of SU(2) intertwiners (or, in other words, SU(2)-invariant states in tensor products of irreducible representations). The total boundary area as well as the individual face areas are quantized as half-integers (spins), and the Hilbert spaces for fixed total area form irreducible representations of U(N). We define semi-classical coherent intertwiner states peaked on classical framed polyhedra and transforming consistently under U(N) transformations. And we show how the U(N) character formula for unitary transformations is to be considered as an extension of the Itzykson-Zuber to the quantum level and generates the traces of all polynomial observables over the Hilbert space of intertwiners. We finally apply the same formalism to two dimensions and show that classical (convex) polygons can be described in a similar fashion trading the unitary group for the orthogonal group. We conclude with a discussion of the possible (deformation) dynamics that one can define on the space of polygons or polyhedra. This work is a priori useful in the context of discrete geometry but it should hopefully also be relevant to (loop) quantum gravity in 2+1 and 3+1 dimensions when the quantum geometry is defined in terms of gluing of (quantized) polygons and polyhedra.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Intensity-dependent nonlinearity of the lateral photoconductivity in InGaAs/GaAs dot-chain structures

Photoelectric properties of laterally correlated multilayer InGaAs/GaAs quantum dots (QDs) heterostructures are studied. The response of the photocurrent to increasing excitation intensity is found to be nonlinear and varying with excitation energy. The structures are photosensitive in a wide range of photon energies above 0.6 eV. The spectral dependence of the photoconductivity (PC) is caused by strong interaction between the bulk GaAs and the lower energy states of the wetting layer, the QDs, as well as the defect states in the GaAs band gap. In particular, a mechanism for the participation of deep electron trap levels in the photocurrent is clarified. These structures also demonstrate a high sensitivity of up to 10 A/W at low excitation intensities. However, at higher excitation intensities, the sensitivity reduces exhibiting a strong spectral dependence at the same time. The observed sublinear PC dependence on excitation power results from a direct electron-hole recombination both in the QDs and in GaAs host. The solution of rate equations included the contributions of QD ground and exited states, bulk GaAs states and the states of defects within the GaAs bandgap describes well the experimental data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Probing the pathway of an ultrafast structural phase transition to illuminate the transition mechanism in Cu 2 S

Disentangling the primary order parameter from secondary order parameters in phase transitions is critical to the interpretation of transition mechanisms in strongly correlated systems and quantum materials. Here in this work, we present a study of structural phase transition pathways in superionic Cu 2 S nanocrystals that exhibit intriguing properties. Utilizing ultrafast electron diffraction techniques sensitive to both the momentum-space and the time-domain, we distinguish the dynamics of crystal symmetry breaking and lattice expansion in this system. We are able to follow the transient states along the transition pathway, and so observe the dynamics of both the primary and secondary order parameters. Based on these observations, we argue that the mechanism of structural phase transition in Cu 2 S is dominated by the electron-phonon coupling. Lastly, this mechanism advances the understanding from previous results, where the focus was solely on dynamic observations of the lattice expansion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Nonlinear spectroscopy in the condensed phase: The role of Duschinsky rotations and third order cumulant contributions

First-principles modeling of nonlinear optical spectra in the condensed phase is highly challenging because both environment and vibronic interactions can play a large role in determining spectral shapes and excited state dynamics. In this work, we compute two dimensional electronic spectroscopy (2DES) signals based on a cumulant expansion of the energy gap fluctuation operator, with specific focus on analyzing mode mixing effects introduced by the Duschinsky rotation and the role of the third order term in the cumulant expansion for both model and realistic condensed phase systems. We show that for a harmonic model system, the third order cumulant correction captures effects introduced by a mismatch in curvatures of ground and excited state potential energy surfaces, as well as effects of mode mixing. We also demonstrate that 2DES signals can be accurately reconstructed from purely classical correlation functions using quantum correction factors. We then compute nonlinear optical spectra for the Nile red and methylene blue chromophores in solution, assessing the third order cumulant contribution for realistic systems. We show that the third order cumulant correction is strongly dependent on the treatment of the solvent environment, revealing the interplay between environmental polarization and the electronic-vibrational coupling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗