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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Lattice distortion inducing exciton splitting and coherent quantum beating in CsPbI 3 perovskite quantum dots

It is well known that shape or crystal anisotropy in nanocrystal quantum dots, which are tiny semiconductor nanoparticles, results in energy splitting of their optically bright excitons (bound electron-hole pairs), which is known as fine structure splitting (FSS). Studying FSS usually requires single or just a few quantum dots because of its sensitivity to nanocrystal size and shape. In this work, by using ensemble-level femtosecond polarized transient absorption, the authors observed clear bright-exciton FSS in solution-processed CsPbI 3 perovskite QDs, which is manifested as exciton quantum beats (periodic oscillations of kinetic traces). Remarkably, the beat frequency of a given sample, as determined by the FSS energy, can be continuously controlled by changing the temperature. The FSS is linked experimentally for the first time to temperature dependent lattice distortion in the orthorhombic crystal structure. Because these orthorhombic-phase nanocrystal quantum dots are bounded by the pseudocubic family of crystal planes, the lattice distortion results in a misalignment between the lattice vectors and the nanocrystal edge directions which breaks the symmetry, leading to previously unrecognized avoided crossing “fine-structure gap” between bright exciton. Furthermore, this fine structure gap is responsible for the ability to observe quantum beats despite the shape inhomogeneity within the measured ensemble. Lattice-distortion dependent FSS in CsPbI 3 QDs has important consequences for their application as a platform for coherence and entanglement control in quantum information science.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Approximation of nearly-periodic symplectic maps via structure-preserving neural networks

A continuous-time dynamical system with parameter ε is nearly-periodic if all its trajectories are periodic with nowhere-vanishing angular frequency as ε approaches 0. Nearly-periodic maps are discrete-time analogues of nearly-periodic systems, defined as parameter-dependent diffeomorphisms that limit to rotations along a circle action, and they admit formal U(1) symmetries to all orders when the limiting rotation is non-resonant. For Hamiltonian nearly-periodic maps on exact presymplectic manifolds, the formal U(1) symmetry gives rise to a discrete-time adiabatic invariant. In this paper, we construct a novel structure-preserving neural network to approximate nearly-periodic symplectic maps. This neural network architecture, which we call symplectic gyroceptron, ensures that the resulting surrogate map is nearly-periodic and symplectic, and that it gives rise to a discrete-time adiabatic invariant and a long-time stability. This new structure-preserving neural network provides a promising architecture for surrogate modeling of non-dissipative dynamical systems that automatically steps over short timescales without introducing spurious instabilities.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

Magnetospheric and ionospheric signals in magnetic observatory monthly means: Electrical conductivity of the deep mantle

First differences of magnetic observatory monthly means for 1963-1982 were analyzed using techniques of spherical harmonics analysis and power spectral analysis. The external source signal is shown to be primarily zonal in geomagnetic coordinates. Prominent peaks are present in the power spectrum at frequencies of 1.0 cycle/yr and 2.0 cycles/yr. The annual signal is largest on the degree 2 external zonal spherical harmonic, while the semiannual signal is largest on the degree 1 and degree 3 external zonal spherical harmonics. The presence of the semiannual signal on odd-degree spherical harmonics and of the annual signal on even-degree spherical harmonics was predicted from symmetry considerations and the annual cycle of solar inclination. These signals are all modulated by the sunspot frequency and its harmonics. The degree 1 term is believed to be due mainly to magnetopause and ring currents while the degree 2 and degree 3 terms are believed to be due mainly to ionospheric currents. The degree 1 external zonal harmonic has a continuous spectrum in addition to the semiannual spectral peak. A corresponding degree 1 internal term is due to electromagnetic induction. The degree 1 continuous spectrum is useful for study of the electrical conductivity of the deep mantle. A global geomagnetic response function consistent with a mantle conductivity of about 10 S/m at the core-mantle boundary has been derived.

Mcleod, Malcolm G.↗
NASA NTRS2002

Upper-Stratospheric Ozone Trends 1979-1998

Extensive analyses of ozone observations between 1978 and 1998 measured by Dobson Umkehr, Stratospheric Aerosol and Gas Experiment (SAGE) I and II, and Solar Backscattered Ultraviolet (SBUV) and (SBUV)/2 indicate continued significant ozone decline throughout the extratropical upper stratosphere from 30-45 km altitude. The maximum annual linear decline of -0.8 +/- 0.2 %/yr(2sigma) occurs at 40 km and is well described in terms of a linear decline modulated by the 11-year solar variation. The minimum decline of -0.110.1% yr-1(2o) occurs at 25 km in midlatitudes, with remarkable symmetry between the Northern and Southern Hemispheres at 40 km altitude. Midlatitude upper-stratospheric zonal trends exhibit significant seasonal variation (+/- 30% in the Northern Hemisphere, +/- 40% in the Southern Hemisphere) with the most negative trends of -1.2%/yr occurring in the winter. Significant seasonal trends of -0.7 to -0.9%/yr occur at 40 km in the tropics between April and September. Subjecting the statistical models used to calculate the ozone trends to intercomparison tests on a variety of common data sets yields results that indicate the standard deviation between trends estimated by 10 different statistical models is less than 0.1%/yr in the annual-mean trend for SAGE data and less than 0.2%/yr in the most demanding conditions (seasons with irregular, sparse data) [World Meteorological Organization (WMO), 1998]. These consistent trend results between statistical models together with extensive consistency between the independent measurement-system trend observations by Dobson Umkehr, SAGE I and II, and SBUV and SBUV/2 provide a high degree of confidence in the accuracy of the declining ozone amounts reported here. Additional details of ozone trend results from 1978 to 1996 (2 years shorter than reported here) along with lower-stratospheric and tropospheric ozone trends, extensive intercomparisons to assess relative instrument drifts, and retrieval algorithm details are given by WMO [1998].

Newchurch, M. J.↗
DOE OSTI2026

Solid-phase heteroepitaxy of oriented Sb 2 Se 3 on GaAs for birefringent thin films

Here, we investigate the amorphous-to-crystalline transformation of antimony selenide (Sb 2 Se 3 ) on UHV-prepared GaAs (001) substrates. In the bulk orthorhombic form, Sb 2 Se 3 is a layered quasi-1D semiconductor with highly anisotropic properties of interest for optical and electronic devices. We find that an amorphous layer deposited by molecular beam epitaxy annealed at or above 230 °C yields a textured-epitaxial structure among some randomly oriented domains. The textured-epitaxial Sb 2 Se 3 grains are oriented with the covalently bonded “1D axis” constrained in-plane to GaAs [110] and with multiple van der Waals (hk0) orientations out-of-plane. The same texture was achieved exclusively without randomly oriented grains using continuous-wave laser radiation, highlighting the use of thermal and optical methods to yield anisotropic crystalline Sb 2 Se 3 films directly from the amorphous phase. Polarized reflectance and polarized microscopy confirm the unique state of in-plane birefringence in the crystallized thin film. Overall, we show that solid-phase heteroepitaxy provides additional pathways to the integration of low-symmetry chalcogenide semiconductors for demanding applications where the inherent anisotropy needs to be preserved.

Xiao, Kelly [Stanford Univ., CA (United States)] (↗
DOE OSTI2020

A coupled multipoint stress–multipoint flux mixed finite element method for the Biot system of poroelasticity

In this work, we present a mixed finite element method for a five-field formulation of the Biot system of poroelasticity that reduces to a cell-centered pressure–displacement system on simplicial and quadrilateral grids. A mixed stress–displacement–rotation formulation for elasticity with weak stress symmetry is coupled with a mixed velocity–pressure Darcy formulation. The spatial discretization is based on combining the multipoint stress mixed finite element (MSMFE) method for elasticity and the multipoint flux mixed finite element (MFMFE) method for Darcy flow. It uses the lowest order Brezzi–Douglas–Marini mixed finite element spaces for the poroelastic stress and Darcy velocity, piecewise constant displacement and pressure, and continuous piecewise linear or bilinear rotation. A vertex quadrature rule is applied to the velocity, stress, and stress–rotation bilinear forms, which block-diagonalizes the corresponding matrices and allows for local velocity, stress, and rotation elimination. This leads to a cell-centered positive-definite system for pressure and displacement at each time step. We perform error analysis for the semidiscrete and fully discrete formulations, establishing first order convergence for all variables in their natural norms. The numerical tests confirm the theoretical convergence rates and illustrate the locking-free property of the method.

42 ENGINEERING↗
DOE OSTI2026

Chiral spin liquid and quantum phase transition in the triangular-lattice Hofstadter-Hubbard model

Recent advances in moiré engineering motivate the study of lattice models of strongly correlated electrons subjected to substantial orbital magnetic flux. We analyze the triangular-lattice Hofstadter-Hubbard model at one-quarter flux quantum per plaquette and a density of one electron per site, where a chiral spin liquid phase may exist between weak-coupling integer quantum Hall and strong-coupling 120° antiferromagnetic phases. Here, we use matrix product state methods and analytical arguments to investigate this model compactified to cylinders of finite circumference. We uncover a glide particle-hole symmetry operation which, we argue, is spontaneously broken at the quantum Hall to spin liquid transition on odd-circumference cylinders. We numerically verify the spontaneous symmetry breaking and further demonstrate that this transition is associated with algebraic long-range correlations of various spin-singlet, charge-neutral operators. For even-circumference cylinders, the transition becomes a crossover associated with a large correlation length that grows substantially with circumference. Our findings suggest that in the two-dimensional limit, the transition to a chiral spin liquid phase is continuous and features critical fluctuations of the current.

Divic, Stefan [University of Pennsylvania, Philade↗
DOE OSTI2024

Topological modes and spectral flows in inhomogeneous PT-symmetric continuous media

In classical Hermitian continuous media, the spectral-flow index of topological modes is linked to the bulk topology via index theorem. However, the interface between two bulks is usually non-Hermitian due to the inhomogeneities of system parameters. We show that the connection between topological modes and bulk topology still exists despite the non-Hermiticity at the interface if the system is endowed with PT symmetry. The theoretical framework developed is applied to the Hall magnetohydrodynamic model to identify a topological mode called topological Alfvén sound wave in magnetized plasmas. Published by the American Physical Society 2024

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1981

Continuing changes in the peculiar nebulous object PV Cephei

Changes in the nebular structure, optical spectrum and stellar brightness of the faint star PV Cephei and the nebulosity associated with it are discussed. Iris photometry of the starlike object at the tip of the fan-shaped nebula reveals irregular variability of approximately 4 magnitudes in the red. Stellar spectra in the region 4300-6750 A taken from December 1976 to April 1980 are similar to the richest emission line spectra of T Tauri stars, while nebular spectra indicate a lack of spherical symmetry. Observations obtained in the infrared reveal a source offset by a few arcsec from the apex of the fan, which is identified with the illuminating star. Radial velocities of CO emission indicate that PV Cep is at the same distance as NGC 7023, and independent estimates lead to an estimated value of 500 pc. Such a distance corresponds to a bolometric luminosity approximately 100 times that of the sun. It is suggested that PV Cep is a T Tauri star that has recently broken through its circumstellar cocoon at a time when highly erratic variability and a strong stellar wind characterize the star.

Cohen, M.↗
DOE OSTI2025

Pressure‐Induced Metallization and Isostructural Transitions in 3R‐MoS2

At ambient conditions 3R-polytypes of transition metal dichalcogenides (TMDs) demonstrate fascinating properties because of their unique layer stacking. Understanding the structure-property relationship is essential for the realization of their use in spintronic, valleytronic, and optoelectronic applications. Herein, after the high pressure-temperature synthesis of 3R-MoS2 in a large volume cubic press, a concomitant experimental and theoretical high-pressure study of 3R-MoS2 is reported, leading to the discovery of pressure-induced reversible isostructural phase transitions without symmetry breaking. Concurrent with the isostructural transitions, a semiconductor-to-metal transition is observed, owing to strong interlayer interaction and charge redistribution across the van der Waals gap under pressure. The pressure-induced enhancement of interlayer interactions together with the robust intrinsic layer stacking in 3R-MoS2 prevent the layers from sliding under pressure and hinder a corresponding volume collapse. This study on continuous pressure-tuning of crystal and electronic structure in 3R-MoS2 will play a vital role in developing the next-generation devices involving coupling of structural, optical, and electrical properties of 3R-polytypes of TMDs and other layered materials.

Ahmad, Azkar Saeed↗
DOE OSTI2025

Unconventional gapping behaviour in a kagome superconductor

Determining the types of superconducting order in quantum materials is a challenge. This is especially true when several degrees of freedom contribute to the fermiology and when superconductivity competes with other symmetry-breaking orders. One example is the kagome-lattice superconductor CsV 3 Sb 5 , in which multiband superconductivity coexists with a charge order that substantially reduces the space group symmetries of the compound. Here we demonstrate the presence of two superconducting regimes in CsV 3 Sb 5 that are characterized by distinct transport and thermodynamic properties. Our results reveal a substantial quasiparticle weight in a high-temperature regime. At lower temperatures, this weight is removed through the formation of a second gap. We argue that the band with a gap opening at lower temperatures continues to host low-energy quasiparticles, possibly due to the nodal structure of the gap. Taken together, our results present evidence for band-selective superconductivity with uncoupled superconducting gaps.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2008

A Model for Solar Polar Jets

We propose a model for the jetting activity that is commonly observed in the Sun's corona, especially in the open-field regions of polar coronal holes. Magnetic reconnection is the process driving the jets and a relevant magnetic configuration is the well-known null point and fan separatrix topology. The primary challenge in explaining the observations is that reconnection must occur in a short-duration energetic burst rather than quasi-continuously as is implied by the observations of long-lived structures in coronal holes, such as polar plumes, for example. The key idea underlying our model for jets is that reconnection is forbidden for an axisymmetric null-point topology. Consequently, by imposing a twisting motion that maintains the axisymmetry, magnetic stress can be built up to large levels until an ideal instability breaks the symmetry and leads to an explosive release of energy via reconnection. Using 3D MHD simulations we demonstrate that this mechanism does produce jets with high speed and mass, driven by nonlinear Alfven waves. We discuss the implications of our results for observations of the solar corona.

Pariat, E.↗
DOE OSTI2021

Electrons matter in ferromagnetic criticality

When elemental iron is cooled from high temperatures, magnetic moments carried by its d-electrons begin a continuous transition to a state of parallel aligned moments below its Curie temperature TC of about 1040 K. As established in the mid-1900s, the statistical physics of this second order phase transition is universal, independent of the ordering temperature, material structure and chemical composition as well as the character of moment-bearing electrons. Finally, the thermodynamics of the phase transition is determined solely by symmetries of the transition’s order parameter – magnetization in the case of a ferromagnet.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Defect detection in atomic-resolution images via unsupervised learning with translational invariance

Abstract Crystallographic defects can now be routinely imaged at atomic resolution with aberration-corrected scanning transmission electron microscopy (STEM) at high speed, with the potential for vast volumes of data to be acquired in relatively short times or through autonomous experiments that can continue over very long periods. Automatic detection and classification of defects in the STEM images are needed in order to handle the data in an efficient way. However, like many other tasks related to object detection and identification in artificial intelligence, it is challenging to detect and identify defects from STEM images. Furthermore, it is difficult to deal with crystal structures that have many atoms and low symmetries. Previous methods used for defect detection and classification were based on supervised learning, which requires human-labeled data. In this work, we develop an approach for defect detection with unsupervised machine learning based on a one-class support vector machine (OCSVM). We introduce two schemes of image segmentation and data preprocessing, both of which involve taking the Patterson function of each segment as inputs. We demonstrate that this method can be applied to various defects, such as point and line defects in 2D materials and twin boundaries in 3D nanocrystals.

36 MATERIALS SCIENCE↗
NASA NTRS1989

On the Lagrangian description of unsteady boundary layer separation. Part 2: The spinning sphere

A theory to explain the initial stages of unsteady separation was proposed by Van Dommelen and Cowley (1989). This theory is verified for the separation process that occurs at the equatorial plane of a sphere or a spheroid which is impulsively spun around an axis of symmetry. A Lagrangian numerical scheme is developed which gives results in good agreement with Eulerian computations, but which is significantly more accurate. This increased accuracy, and a simpler structure to the solution, also allows verification of the Eulerian structure, including the presence of logarithmic terms. Further, while the Eulerian computations broke down at the first occurrence of separation, it is found that the Lagrangian computation can be continued. It is argued that this separated solution does provide useful insight into the further evolution of the separated flow. A remarkable conclusion is that an unseparated vorticity layer at the wall, a familiar feature in unsteady separation processes, disappears in finite time.

Vandommelen, Leon L.↗
NASA NTRS1990

On the Lagrangian description of unsteady boundary-layer separation. II - The spinning sphere

A theory to explain the initial stages of unsteady separation was proposed by Van Dommelen and Cowley (1989). This theory is verified for the separation process that occurs at the equatorial plane of a sphere or a spheroid which is impulsively spun around an axis of symmetry. A Lagrangian numerical scheme is developed which gives results in good agreement with Eulerian computations, but which is significantly more accurate. This increased accuracy, and a simpler structure to the solution, also allows verification of the Eulerian structure, including the presence of logarithmic terms. Further, while the Eulerian computations broke down at the first occurrence of separation, it is found that the Lagrangian computation can be continued. It is argued that this separated solution does provide useful insight into the further evolution of the separated flow. A remarkable conclusion is that an unseparated vorticity layer at the wall, a familiar feature in unsteady separation processes, disappears in finite time.

Van Dommelen, Leon L.↗
DOE OSTI2024

Light-ray wave functions and integrability

Using integrability, we construct (to leading order in perturbation theory) the explicit form of twist-three light-ray operators in planar $\mathcal{N}$ = 4 SYM. This construction allows us to directly compute analytically continued CFT data at complex spin. We derive analytically the “magic” decoupling zeroes previously observed numerically. Using the Baxter equation, we also show that certain Regge trajectories merge together into a single unifying Riemann surface. Perhaps more surprisingly, we find that this unification of Regge trajectories is not unique. If we organize twist-three operators differently into what we call “cousin trajectories” we find infinitely more possible continuations. We speculate about which of these remarkable features of twist-three operators might generalize to other operators, other regimes and other theories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1990

Local stresses in metal matrix composites subjected to thermal and mechanical loading

An elasticity solution has been used to analyze matrix stresses near the fiber/matrix interface in continuous fiber-reinforced metal-matrix composites, modeling the micromechanics in question in terms of a cylindrical fiber and cylindrical matrix sheath which is embedded in an orthotropic medium representing the composite. The model's predictions for lamina thermal and mechanical properties are applied to a laminate analysis determining ply-level stresses due to thermomechanical loading. A comparison is made between these results, which assume cylindrical symmetry, and the predictions yielded by a FEM model in which the fibers are arranged in a square array.

Highsmith, Alton L.↗