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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Stratospheric circulation in the southern summer/northern winter 1980-81 - Behavior of zonal waves 1-10

Daily global grids of high quality, satellite-borne microwave measurements have been used to study the behavior of stratospheric waves during November 1980-March 1981. The primary motivation was to investigate, by comparing with earlier analyses, the interannual variation of recently reported medium-scale wave domination of Southern Hemisphere (SH) summer circulation. Zonal means, as well as time-mean and transient zonal waves 1-10, are studied. In addition, space-time spectra are determined from the 138-day record. Prominent medium-scale features are found to occur in 1980-81, although wave 4 is strongest, in contrast to the Global Weather Experiment period (1978-79), when wave 5 dominated the SH summer circulation. The same highly continuous, regular eastward phase movement of SH medium-scale waves is found in 1980-81 as in 1978-79. A second noteworthy observation is that of strong, time-mean waves 3-4 with symmetry about the equator, with positive temperature perturbations over the western Pacific and Atlantic equatorial regions, and negative anomalies over South America, Africa, and Indonesia. Confidence in the SH spectral results is enhanced by good agreement between our Northern Hemisphere (NH) medium-scale analyses and recent geopotential height studies by other investigators. These results serve to bring into sharper focus the question of why, in contrast with the more wellknown NH, the SH circulation evidences such robust and highly continuous medium-scale eddies in summer.

Yu, W.-B.↗
DOE OSTI2022

Symmetry relation database and its application to ferroelectric materials discovery

To investigate the displacive phase transition at the atomic scale, we have implemented a numerical algorithm to automate the detection of the symmetry relations between any two candidate crystal structures. Using this algorithm, here we systematically screen all possible polar–nonpolar structure pairs from the Materials Project database and establish a library of ~4500 pairs that can be connected through a continuous phase transition with small atomic displacements. From this database, we identify several new ferroelectric materials. In addition, the database may also be used in other areas, such as material structure prediction and new materials discovery.

36 MATERIALS SCIENCE↗
DOE OSTI2021

EPR of Photoexcited Triplet-State Acceptor Porphyrins

The photoexcited triplet states of porphyrin architectures are of significant interest in a wide range of fields including molecular wires, nonlinear optics, and molecular spintronics. Electron paramagnetic resonance (EPR) is a key spectroscopic tool in the characterization of these transient paramagnetic states singularly well suited to quantify spin delocalization. Previous work proposed a means of extracting the absolute signs of the zero-field splitting (ZFS) parameters, D and E, and triplet sublevel populations by transient continuous wave, hyperfine measurements, and magnetophotoselection. Here, we present challenges of this methodology for a series of mesoperfluoroalkyl-substituted zinc porphyrin monomers with orthorhombic symmetries, where interpretation of experimental data must proceed with caution and the validity of the assumptions used in the analysis must be scrutinized. The EPR data are discussed alongside quantum chemical calculations, employing both DFT and CASSCF methodologies. Despite some success of the latter in quantifying the magnitude of the ZFS interaction, the results clearly provide motivation to develop improved methods for ZFS calculations of highly delocalized organic triplet states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Real-time nuclear activation detectors for measuring neutron angular distributions at the National Ignition Facility (invited)

The Real Time Nuclear Activation Detector (RTNAD) array at NIF measures the distribution of 14 MeV neutrons emitted by deuterium-tritium (DT) fueled inertial confinement fusion implosions. The uniformity of the neutron distribution is an important indication of implosion symmetry and DT shell integrity. The array consists of 48 LaBr 3 (Ce) crystal gamma-ray spectrometers mounted outside the NIF target chamber, which continuously monitor the slow decay of the 909 keV gamma-ray line from activated 89 Zr located in Zr cups surrounding each crystal. The measured decay rate dramatically increases during a DT implosion in proportion to the number of 14 MeV neutrons striking each Zr cup. The neutrons produce activated 89 Zr through an (n, 2n) reaction on 90 Zr, which is insensitive to low energy neutrons. The neutron flux along the detector line-of-sight at shot time is determined by extrapolating the fitted 909 keV decay curve back to shot time. Automatic analysis algorithms were developed to handle the non-stop data stream. The large number of detectors and the high statistical accuracy of the array enable the spherical harmonic modes of the neutron angular distribution to be measured up to L ≤ 4 to provide a better understanding of implosion dynamics. In addition, these data combined with measurements of the down-scattered neutrons can be used to derive fuel areal density distributions. This paper will describe the RTNAD hardware and analysis procedures.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Controlling spin-orbit coupling strength of bulk transition metal dichalcogenide semiconductors

Transition metal dichalcogenide (TMD) semiconductors are attracting much attention in research regarding device physics based on their unique properties that can be utilized in spintronics and valleytronics. Although current studies concentrate on the monolayer form due to the explicitly broken inversion symmetry and the direct band gap, bulk materials also hold the capability of carrying spin and valley current. In this study, we report the methodology to continuously control the spin-orbit coupling (SOC) strength of bulk TMDs Mo 1-x W x Se 2 by changing the atomic ratio between Mo and W. The results show the size of band splitting at the K valley the measure of the coupling strength is linearly proportional to the atomic ratio of Mo and W. Here, our results thus demonstrate how to precisely tune the SOC coupling strength, and the collected information of which can serve as a reference for future applications of bulk TMDs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Exploring 2 + 2 answers to 3 + 1 questions

We explore potential uses of physics formulated in Kleinian (i.e. 2 + 2) signature spacetimes as a tool for understanding properties of physics in Lorentzian (i.e. 3 + 1) signature. Much as Euclidean (i.e. 4 + 0) signature quantities can be used to formally construct the ground state wavefunction of a Lorentzian signature quantum field theory, a similar analytic continuation to Kleinian signature constructs a state of low particle flux in the direction of analytic continuation. There is also a natural supersymmetry algebra available in 2 + 2 signature, which serves to constrain the structure of correlation functions. Spontaneous breaking of Lorentz symmetry can produce various [Formula: see text] supersymmetry algebras that in 3 + 1 signature correspond to nonsupersymmetric systems. We speculate on the possible role of these structures in addressing the cosmological constant problem.

Physics↗
DOE OSTI2022

Tuning between continuous time crystals and many-body scars in long-range XYZ spin chains.

Persistent oscillatory dynamics in nonequilibrium many-body systems is a tantalizing manifestation of ergodicity breakdown that continues to attract much attention. Recent works have focused on two classes of such systems: discrete time crystals and quantum many-body scars (QMBS). While both systems host oscillatory dynamics, its origin is expected to be fundamentally different: discrete time crystal is a phase of matter which spontaneously breaks the Z 2 symmetry of the external periodic drive, while QMBS span a subspace of nonthermalizing eigenstates forming an su(2) algebra representation. Here, we ask a basic question: is there a physical system that allows us to tune between these two dynamical phenomena? In contrast to much previous work, we investigate the possibility of a continuous time crystal (CTC) in undriven, energy-conserving systems exhibiting prethermalization. We introduce a long-range XYZ spin model and show that it encompasses both a CTC phase as well as QMBS. We map out the dynamical phase diagram using numerical simulations based on exact diagonalization and time-dependent variational principle in the thermodynamic limit. We identify a regime where QMBS and CTC order coexist, and we discuss experimental protocols that reveal their similarities as well as key differences.

Bull, Kieran↗
DOE OSTI2020

Impact of particle arrays on phase separation composition patterns

We examine the symmetry-breaking effect of fixed constellations of particles on the surface-directed spinodal decomposition of binary blends in the presence of particles whose surfaces have a preferential affinity for one of the components. Our phase-field simulations indicate that the phase separation morphology in the presence of particle arrays can be tuned to have a continuous, droplet, lamellar, or hybrid morphology depending on the interparticle spacing, blend composition, and time. In particular, when the interparticle spacing is large compared to the spinodal wavelength, a transient target pattern composed of alternate rings of preferred and non-preferred phases emerges at early times, tending to adopt the symmetry of the particle configuration. We reveal that such target patterns stabilize for certain characteristic length, time, and composition scales characteristic of the pure phase-separating mixture. To illustrate the general range of phenomena exhibited by mixture-particle systems, we simulate the effects of single-particle, multi-particle, and cluster–particle systems having multiple geometrical configurations of the particle characteristic of pattern substrates on phase separation. Our simulations show that tailoring the particle configuration, or substrate pattern configuration, a relative fluid-particle composition should allow the desirable control of the phase separation morphology as in block copolymer materials, but where the scales accessible to this approach of organizing phase-separated fluids usually are significantly larger. Limited experiments confirm the trends observed in our simulations, which should provide some guidance in engineering patterned blend and other mixtures of technological interest.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

On-shell recursion and holomorphic HQET for heavy quark hadronic resonances

We develop a new theoretical framework for the treatment of heavy quark (HQ) resonances within heavy quark effective theory (HQET). This framework uses on-shell recursion techniques to express the resonant amplitude as a product of on-shell subamplitudes, which allows one to employ a form-factor representation of the hadronic matrix elements and to obtain an HQ expansion, but at the price of introducing complex momenta. We construct a generalized “holomorphic HQET” onto which such complex-momentum matrix elements can be matched, and we show that PT symmetry ensures the Isgur-Wise functions (and the perturbative corrections) become holomorphic functions of the complex recoil parameter with real coefficients. They are thus an analytic continuation of the standard HQET description. This framework admits a HQ hadron (strong decay) width expansion. At second order, we show it is compatible with data for the B12∗$$ {B}_{1(2)}^{\left(\ast \right)} $$ and D12∗$$ {D}_{1(2)}^{\left(\ast \right)} $$ HQ doublets. Taking the B¯→D1∗1−→Dπlν$$ \overline{B}\to \left({D}_1^{\ast}\left({1}^{-}\right)\to D\pi \right) l u $$ system as an example, we compute the holomorphic HQET expansion to first order, as well as the complex-momentum on-shell subamplitudes. A toy numerical study of the resulting differential rates demonstrates that this framework generates HQ resonance lineshapes with large tails, resembling those seen in data.

Manzari, Claudio Andrea↗
DOE OSTI2026

Online task-space motion control for positioner-coordinated multi-robot manufacturing systems

Incorporating multiple robotic manipulators into large-scale manufacturing systems enhances production efficiency and expands manufacturing capabilities beyond those of single-robot systems. Workpiece positioners in robotic manufacturing have demonstrated significant benefits for process optimization, but coordination strategies for multi-robot systems with shared positioners have received limited attention. This work presents a task-space coordinated trajectory-tracking control framework for multi-robot manufacturing systems, in which robots coordinate their motions within a shared, dynamic workpiece positioning frame. A workpiece positioner actively adjusts the pose of the manufactured component to enable greater operational concurrency and improve overall production efficiency. The proposed motion-coordination scheme employs a distributed and scalable architecture, supporting coordination across heterogeneous multi-robot systems. Two optimization methodologies are introduced to manage kinematic redundancies and maintain continuous, near-optimal operation throughout the manufacturing process. The first strategy exploits a task-space dimensionality reduction to achieve locally optimal configurations by leveraging symmetry-axis rotations of the tool. The second strategy utilizes the workpiece positioner to drive the coordinated robots toward stable and kinematically favorable configurations. For both optimization strategies, multiple objectives are defined to improve key performance metrics, including manipulability, configuration consistency, proximity to mechanical limits, and motion efficiency. Addressing a key limitation of existing coordination approaches, the framework is designed around online setpoint modification, allowing coordinated robots to respond effectively to in-situ process feedback. The proposed control framework is validated using the Robot Operating System (ROS) middleware on a combination of physical and simulated multi-robot system hardware.

Arbogast, Alex [ORNL] (ORCID:0000000154740723)↗
DOE OSTI2025

SchrödingerNet: A Universal Neural Network Solver for the Schrödinger Equation

Recent advances in machine learning have facilitated numerically accurate solution of the electronic Schrödinger equation (SE) by integrating various neural network (NN)-based wave function ansatzes with variational Monte Carlo methods. Nevertheless, such NN-based methods are all based on the Born–Oppenheimer approximation (BOA) and require computationally expensive training for each nuclear configuration. In this work, we propose a novel NN architecture, SchrödingerNet, to solve the full electronic-nuclear SE by defining a loss function designed to equalize local energies across the system. This approach is based on a translationally, rotationally and permutationally symmetry-adapted total wave function ansatz that includes both nuclear and electronic coordinates. Furthermore, this strategy not only allows for an efficient and accurate generation of a continuous potential energy surface at any geometry within the well-sampled nuclear configuration space, but also incorporates non-BOA corrections, through a single training process. Comparison with benchmarks of atomic and small molecular systems demonstrates its accuracy and efficiency.

Chemical calculations↗
DOE OSTI2020

Three-dimensional superlattice engineering with block copolymer epitaxy

Three-dimensional (3D) structures at the nanometer length scale play a crucial role in modern devices, but their fabrication using traditional top-down approaches is complex and expensive. Analogous to atomic lattices, block copolymers (BCPs) spontaneously form a rich variety of 3D nanostructures and have the potential to substantially simplify 3D nanofabrication. Here, we show that the 3D superlattice formed by BCP micelles can be controlled by lithographically defined 2D templates matching a crystallographic plane in the 3D superlattice. Using scanning transmission electron microscopy tomography, we demonstrate precise control over the lattice symmetry and orientation. Excellent ordering and substrate registration can be achieved, propagating through 284-nanometer-thick films. BCP epitaxy also showed exceptional lattice tunability, with a continuous Bain transformation from a body-centered cubic to a face-centered cubic lattice. Lattice stability was mediated by molecular packing frustration, and surface-induced lattice reconstruction was observed, leading to the formation of a unique honeycomb lattice.

42 ENGINEERING↗
NASA NTRS1975

Periodic orbits in the Planar General Three-Body Problem

The article contains a numerical study of periodic solutions of the Planar General Three-Body Problem. Several new periodic solutions have been discovered and are described. In particular, there is a continuous family with variable masses, extending all the way from the elliptic restricted problem to the general problem with three equal masses. All our examples have special symmetry properties which are described in detail. Finally we also suggest some important applications to the natural satellites of the solar system.

Broucke, R.↗
DOE OSTI2026

Shadow sectors of gauge theories

We show that both abelian and non-abelian gauge theories admit configurations in which the fields behave as if in the presence of static charge densities, or “shadow charges”. These correspond to nontrivial initial conditions for the fields that generate gauge transformations, the Gauss’ law operators. In non-abelian theories, such configurations seem to demand additional physical fields with exactly static charge densities. In contrast with this expectation, we show that gauge theory alone provides a consistent and gauge-invariant description of shadow charges. Canonical quantization then yields continuous shadow charges for abelian theories and quantized ones for non-abelian theories. In general, our findings indicate that all local conservation laws give rise to gauge symmetries, even in the presence of second-class constraints.

Del Grosso, Loris [Johns Hopkins U.] (ORCID:000000↗
DOE OSTI2020

Continuous phase transition between bosonic integer quantum Hall liquid and a trivial insulator: Evidence for deconfined quantum criticality

The deconfined quantum critical point, a prototype Landau-forbidden transition, could exist, in principle, in the phase transitions involving a symmetry-protected topological phase; however, examples of such kinds of transitions in physical systems are rare beyond one-dimensional systems. Here, using a density-matrix renormalization-group calculation, we unveil a bosonic integer quantum Hall phase in a two-dimensional correlated honeycomb lattice, by full identification of its internal structure from the topological K matrix. Furthermore, we demonstrate that imbalanced periodic chemical potentials can destroy the bosonic integer quantum Hall state and drive it into a featureless trivial (Mott) insulator, where all physical observables evolve smoothly across the critical point. At the critical point, the entanglement entropy reveals a characteristic scaling behavior, which is consistent with the critical field theory as an emergent QED3 with two flavors of Dirac fermions.

36 MATERIALS SCIENCE↗
NASA NTRS1985

On the solution topologies of polytropic winds

Steady polytropic wind flows are studied by examining their solution topologies. The problem of whether the degeneracy of the continuous and standing shocked solutions in the isothermal case persist in the more general case of a polytropic expanding atmosphere is addressed. The effects of departures from spherical symmetry and nonthermal momentum addition are considered within the context of the new class of magnetospheric models proposed by Low and Tsinganos (1985). The flow near the boundary of a polar coronal hole is considered for the specific case of a magnetosphere in which this boundary asymptotically approaches the equator at large heliocentric distances.

Bailyn, C.↗
DOE OSTI2024

Harnessing complexity: Nonlinear optical phenomena in L-shapes, nanocrescents, and split-ring resonators

Here, we conduct systematic studies of the optical characteristics of plasmonic nanoparticles that exhibit C 2v symmetry. In particular, we analyze three distinct geometric configurations: an L-type shape, a crescent, and a split-ring resonator shaped like the Greek letter π. Optical properties are examined using the finite-difference time-domain method. It is demonstrated that all three shapes exhibit two prominent plasmon modes associated with the two axes of symmetry. This is in addition to a wide range of resonances observed at high frequencies corresponding to quadrupole modes and peaks due to sharp corners. Next, to facilitate nonlinear analysis, we employ a semiclassical hydrodynamic model, where the electron pressure term is explicitly accounted for. This model goes beyond the standard Drude description and enables capturing nonlocal and nonlinear effects. Employing this model enables us to rigorously examine the second-order angular resolved nonlinear optical response of these nanoparticles in each of the three configurations. Two pumping regimes are considered, namely, continuous wave (CW) and pulsed excitations. For CW pumping, we explore the properties of the second harmonic generation (SHG). Polarization and angle-resolved SHG spectra are obtained, revealing strong dependence on the nanoparticle geometry and incident wave polarization. The C 2v symmetry is shown to play a key role in determining the polarization states and selection rules of the SHG signal. For pulsed excitations, we discuss the phenomenon of broadband terahertz (THz) generation induced by the difference-frequency generation . It is shown that the THz emission spectra exhibit unique features attributed to the plasmonic resonances and symmetry of the nanoparticles. The polarization of the generated THz waves is also examined, revealing interesting patterns tied to the nanoparticle geometry. To gain deeper insight, we propose an analytical theory that agrees very well with the numerical experiments. The theory shows that the physical origin of the THz radiation is the mixing of various frequency components of the fundamental pulse by the second-order nonlinear susceptibility. An expression for the far-field THz intensity is derived in terms of the incident pulse parameters and the nonlinear response tensor of the nanoparticle. The results presented in this work offer new insights into the linear and nonlinear optical properties of nanoparticles with C 2v symmetry. The demonstrated strong SHG response and efficient broadband THz generation hold great promise for applications in nonlinear spectroscopy, nanophotonics, and optoelectronics. The proposed theoretical framework also provides a valuable tool for understanding and predicting the nonlinear behavior of other related nanostructures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗