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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Cooper-pair density modulation state in an iron-based superconductor

Superconducting (SC) states that break space-group symmetries of the underlying crystal can exhibit nontrivial spatial modulation of the order parameter. Previously, such states were intimately associated with the breaking of translational symmetry, resulting in the density-wave orders, with wavelengths spanning several unit cells. However, a related basic concept has long been overlooked: when only intra-unit-cell symmetries of the space group are broken, the SC states can show a distinct type of nontrivial modulation preserving long-range lattice translation. Here, in this study, we refer to this new concept as the pair density modulation (PDM) and report the first observation of a PDM state in exfoliated thin flakes of the iron-based superconductor FeTe 0.55 Se 0.45 . Using scanning tunnelling microscopy (STM), we discover robust SC gap modulation with the wavelength corresponding to the lattice periodicity and the amplitude exceeding 30% of the gap average. Notably, we find that the observed modulation originates from the large difference in SC gaps on the two nominally equivalent iron sublattices. The experimental findings, backed up by model calculations, suggest that, in contrast to the density-wave orders, the PDM state is driven by the interplay of sublattice symmetry breaking and a peculiar nematic distortion specific to the thin flakes. Our results establish new frontiers for exploring the intertwined orders in strong-correlated electronic systems and open a new chapter for iron-based superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Proliferation transitions from a topological phase in 2+1 dimensions

We consider phase transitions out of a general topological phase in 2+1 dimensions. We assume that the transition is triggered by a single Abelian anyon, which becomes light near the transition and whose worldlines proliferate after the transition. (This proliferation is often referred to as “condensation.”) We describe the transition using a continuum field theory obtained by coupling the corresponding topological quantum field theory (TQFT) to a single complex scalar field associated with this anyon. With these assumptions, we find the most general relativistic field theory for such a transition. Even though for a given TQFT and a choice of anyon, there are infinitely many such field theories, the transition theory depends on only a single additional integer parameter. We analyze all these theories, their global symmetries, and their phases. In generic cases, the theory after the transition can be related to the original one via an Abelian hierarchy construction. In special cases, the theory after the transition is gapless, and with a particular deformation, it is related to the original TQFT by gauging an anomaly-free one-form global symmetry. We also explore the enrichment of this setup by a global U⁡(1) symmetry. In some cases, enriching the original TQFT is incompatible with the full transition theory. Lastly, we demonstrate our construction with many specific examples.

Anyons↗
NASA NTRS2017

A Mobile Robot for Locomotion Through a 3D Periodic Lattice Environment

This paper describes a novel class of robots specifically adapted to climb periodic lattices, which we call 'Relative Robots'. These robots use the regularity of the structure to simplify the path planning, align with minimal feedback, and reduce the number of degrees of freedom (DOF) required to locomote. They can perform vital inspection and repair tasks within the structure that larger truss construction robots could not perform without modifying the structure. We detail a specific type of relative robot designed to traverse a cuboctahedral (CubOct) cellular solids lattice, show how the symmetries of the lattice simplify the design, and test these design methodologies with a CubOct relative robot that traverses a 76.2 mm (3 in.) pitch lattice, MOJO (Multi-Objective JOurneying robot). We perform three locomotion tasks with MOJO: vertical climbing, horizontal climbing, and turning, and find that, due to changes in the orientation of the robot relative to the gravity vector, the success rate of vertical and horizontal climbing is significantly different.

Aeronautics↗
DOE OSTI2024

The charge and mass symmetry breaking in the KK K¯ system

Abstract In the framework of the Faddeev equations in configuration space, we investigate theK(1460) meson as a resonant state of the KK K ¯ kaonic system. We perform calculations for the particle configurationsK 0 K + K − and K 0 K + K 0 ¯ within two models: theABCmodel, in which all three particles are distinguishable, and theAACmodel when two particles are identical. The models differ in their treatment of the kaon mass difference and the attractive Coulomb force between theK + K − pair. We found that the Coulomb shift adds over 1 MeV to the three-body binding energy. The expected correction to the binding energy due to mass redistribution fromAAtoABis found to be negligible, up to a maximum of 6% of the relative mass correction. At the same time, the symmetry of the wave function is distorted depending on the mass ratio value. We found that the repulsiveKKinteraction plays an essential role in the binding energy of the KK K ¯ system and reports the mass of 1461.8 or 1464.1 MeV for the neutralK 0 (1460) and 1466.5 or 1468.8 MeV for the chargedK + (1460) resonances, respectively, depending on the parameter sets forKKand K K ¯ interactions.

Physics↗
DOE OSTI2025

Accidental symmetries, Hilbert series, and friends

Accidental symmetries in effective field theories can be established by computing and comparing Hilbert series. This invites us to study them with the tools of invariant theory. Applying this technology, we spotlight three classes of accidental symmetries that hold to all orders for non-derivative interactions. They are broken by derivative interactions and become ordinary finite-order accidental symmetries. To systematically understand the origin and the patterns of accidental symmetries, we introduce a novel mathematical construct — a (non-transitive) binary relation between subgroups that we call friendship. Equipped with this, we derive new criteria for all-order accidental symmetries in terms of friends, and criteria for finite-order accidental symmetries in terms of friends ma non troppo. They allow us to verify and identify accidental symmetries more efficiently without computing the Hilbert series. We demonstrate the success of our new criteria by applying them to a variety of sample accidental symmetries, including the custodial symmetry in the Higgs sector of the Standard Model effective field theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Flux Hypothesis for Odd Transport Phenomena

Onsager's regression hypothesis makes a fundamental connection between macroscopic transport phenomena and the average relaxation of spontaneous microscopic fluctuations. This relaxation, however, is agnostic to odd transport phenomena, in which fluxes run orthogonal to the gradients driving them. To account for odd transport, we generalize the regression hypothesis, postulating that macroscopic linear constitutive laws are, on average, obeyed by microscopic fluctuations, whether they contribute to relaxation or not. From this "flux hypothesis," Green-Kubo and reciprocal relations follow, elucidating the separate roles of broken time-reversal and parity symmetries underlying various odd transport coefficients. As an application, we derive and verify the Green-Kubo relation for odd collective diffusion in chiral active matter, first in an analytically tractable model and subsequently through molecular dynamics simulations of concentrated active spinners.

Hargus, Cory↗
DOE OSTI2024

Ladder symmetries and Love numbers of Reissner-Nordström black holes

It is well known that asymptotically flat black holes in general relativity have vanishing tidal Love numbers. In the case of Schwarzschild and Kerr black holes, this property has been shown to be a consequence of a hidden structure of ladder symmetries for the perturbations. In this work, we extend the ladder symmetries to non-rotating charged black holes in general relativity. As opposed to previous works in this context, we adopt a more general definition of Love numbers, including quadratic operators that mix gravitational and electromagnetic perturbations in the point-particle effective field theory. We show that the calculation of a subset of those couplings in full general relativity is affected by an ambiguity in the split between source and response, which we resolve through an analytic continuation. As a result, we derive a novel master equation that unifies scalar, electromagnetic and gravitational perturbations around Reissner-Nordström black holes. The equation is hypergeometric and can be obtained from previous formulations via nontrivial field redefinitions, which allow to systematically remove some of the singularities and make the presence of the ladder symmetries more manifest.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Generalized symmetries, gravity, and the swampland

Generalized global symmetries are a common feature of many quantum field theories decoupled from gravity. By contrast, in quantum gravity/the Swampland program, it is widely expected that all global symmetries are either gauged or broken, and this breaking is in turn related to the expected completeness of the spectrum of charged states in quantum gravity. We investigate the fate of such symmetries in the context of 7D and 5D vacua realized by compact Calabi-Yau spaces with localized singularities in M theory. We explicitly show how gravitational backgrounds support additional dynamical degrees of freedom which trivialize (i.e., “break”) the higher symmetries of the local geometric models. Local compatibility conditions across these different sectors lead to gluing conditions for gauging higher-form and (in the 5D case) higher-group symmetries. This also leads to a preferred global structure of the gauge group and higher-form gauge symmetries. In cases based on a genus-one fibered Calabi-Yau space, we also get an F-theory model in one higher dimension with corresponding constraints on the global form of the gauge group. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2021

Revealing the nature of electron correlation in transition metal complexes with symmetry breaking and chemical intuition

Here, in this work, we provide a nuanced view of electron correlation in the context of transition metal complexes, reconciling computational characterization via spin and spatial symmetry breaking in single-reference methods with qualitative concepts from ligand-field and molecular orbital theories. These insights provide the tools to reliably diagnose the multi-reference character, and our analysis reveals that while strong (i.e., static) correlation can be found in linear molecules (e.g., diatomics) and weakly bound and antiferromagnetically coupled (monometal-noninnocent ligand or multi-metal) complexes, it is rarely found in the ground-states of mono-transition-metal complexes. This leads to a picture of static correlation that is no more complex for transition metals than it is, e.g., for organic biradicaloids. In contrast, the ability of organometallic species to form more complex interactions, involving both ligand-to-metal σ-donation and metal-to-ligand π-backdonation, places a larger burden on a theory's treatment of dynamic correlation. We hypothesize that chemical bonds in which inter-electron pair correlation is non-negligible cannot be adequately described by theories using MP2 correlation energies and indeed find large errors vs experiment for carbonyl-dissociation energies from double-hybrid density functionals. A theory's description of dynamic correlation (and to a less important extent, delocalization error), which affects relative spin-state energetics and thus spin symmetry breaking, is found to govern the efficacy of its use to diagnose static correlation.

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

The Classical Equations of Motion of Quantized Gauge Theories, Part I: General Relativity

In this and a companion paper, we show that quantum field theories with gauge symmetries permit a broader class of classical dynamics than typically assumed. In this article, we show that the dynamics extracted from the path integral or Hamiltonian formulation of general relativity allows for classical states that do not satisfy the full set of Einstein's equations. This amounts to loosening the Hamiltonian and momentum constraints that are imposed on the initial state. Nevertheless, the quantum theory permits gauge invariant time evolution of these states. The time evolution of these states is such that at the classical level the full set of Einstein's equations would appear to hold, with the physical effects of these states being attributable to an auxiliary, covariantly conserved energy-momentum tensor with no internal degrees of freedom. We derive the generalized Einstein equations for these states and show that a homogeneous and isotropic initial background state contributes to expansion identical to cold dark matter. The inhomogeneous components of this state could source curvature perturbations that grow linearly at linear order. This auxiliary contribution to Einstein's equations could have either sign and thus provide a trivial way to violate the null energy condition, enabling novel gravitational dynamics such as cosmic bounces and wormholes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Symmetry in Seeded Metal Nanocrystal Growth

Symmetry underpins the structure and function of the world around us and is also captured in modern nanomaterials, where changing the symmetry of a nanocrystal or the interparticle spacing and orientation of nanocrystal building blocks in a superlattice can give new function. However, the synthesis and assembly of nanocrystals have been limited largely to simple compositions and structures. It remains a grand challenge to achieve nanocrystals with compositional and structural complexity while maintaining the monodispersity required for their use. This Account will illustrate through recent examples that seeded methods enable the synthesis of compositionally and structurally complex multimetallic crystals with defined and predictable symmetries for applications in plasmonics and catalysis. This outcome arises because the barrier for heterogeneous nucleation (i.e., seeded) is lower than that of homogeneous nucleation, where seeds can serve as preferential sites for the growth of complex structures and crystal phases. Our analysis begins by considering metal overgrowth from single-crystalline seeds of different shapes and symmetries, where the kinetics of adatom addition to seeds relative to their diffusion across seeds accounts for the expressed nanocrystal shapes. These results are then compared to overgrowth from seeds with different internal structures (i.e., planar defects), where the relationships between nanocrystal size and volumetric strain energy and surface energy are discussed. A major finding from this analysis is that often the underlying symmetry of seeds can be predictably transferred to the final crystals during overgrowth processes. Consequences of this finding are the predictable syntheses of crystals with different hierarchies akin to snowcrystals as well as nanocrystals with complex compositions (e.g., quaternary nanoparticles). Yet, there are subtle aspects to seeded growth that pave a path toward examples where nanocrystal symmetry has been reduced compared to the original seeds in a controlled manner. As we found, both the concentrations of metal precursors and capping agents can impact whether symmetry is transferred or reduced during overgrowth. Examples from our laboratory will be placed in context to other reported strategies for symmetry breaking. As will be argued, understanding what conditions favor symmetry preservation versus symmetry reduction during seeded crystal growth is central to accessing next-generation crystal forms. The Account concludes by outlining synthetic challenges associated with forming nanoscale heterostructures with precise 3-D placement of different materials within a given nanocrystal as well as facet control within different material domain and interface engineering. Furthermore, we envision meeting these challenges through regioselective and chemoselective seeded syntheses for which a foundation is outlined herein.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Lorentz symmetry and IR structure of the BFSS matrix model

The BFSS matrix model relates flat space M-theory to a large N limit of matrix quantum mechanics describing N non-relativistic D0-branes. M-theory, being a theory of gravity in flat space, has a rich infrared structure that includes various soft theorems and an infinite set of conserved charges associated to asymptotic symmetries. In this work, we ask: to what extent is this infrared structure present in BFSS? We find that all the salient features concerning the infrared structure of M-theory carry over naturally to the quantum mechanics dual. Moreover, we demonstrate that the dual statement of the soft graviton theorem in the matrix model implies that D0-brane scattering amplitudes in BFSS enjoy the full 11d Lorentz symmetry of M-theory, a claim which has been long anticipated. We also offer several first-principle consistency checks for our findings, including a computation of the soft theorem which does not presuppose the BFSS duality and a non-trivial match between several known symmetries of M-theory and BFSS that appear naturally in this formalism. These calculations give non-perturbative evidence in support of the BFSS duality as a model of flat space holography.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Gauging staggered fermion shift symmetries

Staggered fermion shift symmetries correspond to translations of the fermion field within the unit cell of a hypercubic lattice. They satisfy an algebra and in four Euclidean dimensions can be related to a discrete subgroup of an S U ( 4 ) flavor symmetry which plays a crucial role in showing that staggered fermions lead to a theory of four degenerate Dirac fermions in the continuum limit. They are associated with the appearance of certain Z 2 valued global parameters. We propose a strategy to try to partially gauge these translation symmetries by allowing these parameters to vary locally in the lattice. To maintain invariance of the action requires the addition of Z 2 valued higher form lattice gauge fields. An analogous procedure can be carried out for reduced staggered fermions where the shifts correspond to a discrete subgroup of an S O ( 4 ) flavor symmetry. Published by the American Physical Society 2024

Catterall, Simon (ORCID:0000000327352682)↗
NASA NTRS1990

Instability waves in twin supersonic jets

Calculations are presented for the characteristics of instability waves in the initial mixing region of twin circular supersonic jets. Two models for the basic jet flow are used. In the first, the jets are modeled as two circular vortex sheets. In the second, realistic velocity and density profiles are used. It is shown that the unsteady flow fields of the two jets interact before the time-averaged jets flows have merged. The normal modes or instability waves are classified by their symmetry properties in the twin-jet case and their asymptotic behavior for large jet separations. Calculations of the growth rates and phase velocities are made for these modes as a function of jet separation and mixing-layer thickness. The associated pressure distributions are also presented. In the realistic jet profile calculations the effect of jet separation is found to be relatively weak. For modes that are even about the symmetry plane between the two jets the pressure levels are found to increase near this plane as the jet separation decreases.

Morris, Philip J.↗
DOE OSTI2025

Electronic structure of a nodal line semimetal candidate TbSbTe

The 𝐿⁢𝑛⁢SbTe (𝐿⁢𝑛 = Lanthanides) family, like isostructural ZrSiS-type compounds, has emerged as a fertile playground for exploring the interaction of electronic correlations and magnetic ordering with the nodal line band topology. Here, we report on a detailed electronic band structure investigation of TbSbTe, corroborated by electrical transport, thermodynamic, and magnetic studies. Temperature-dependent magnetic susceptibility and thermodynamic transport studies indicate the onset of antiferromagnetic ordering below 𝑇 𝑁 ∼ 5.8K. The electronic band structure study, carried out with high-resolution angle-resolved photoemission spectroscopy measurements aided with density functional theory–based first-principles calculations reveal presence of a nonsymmorphic symmetry-protected Dirac crossing in the Γ-X high-symmetry (HS) direction, which is part of a nodal line along the X-R HS direction. Another Dirac crossing occurs along the Γ-X direction at a relatively higher binding energy, which occurs from $\tilde{𝒞}$ 2⁢𝜈⁢ 𝒫 symmetry which is gapped in the theoretical calculations with the effect of spin-orbit coupling considered. Parallel to this direction, our theoretical calculations and experimental results exhibit strongly momentum-dependent surface bands. In this study, we open an avenue to further uncover the intricate interplay among symmetry-protected topological band structure, spin-orbit coupling, and magnetism in this material and the 𝐿⁢𝑛⁢SbTe family, in general.

Angle-resolved photoemission spectroscopy↗
NASA NTRS1989

Asymptotic structure and similarity solutions for three-dimensional turbulent boundary layers

The asymptotic structure of the three-dimensional turbulent boundary layer is investigated in the limit of large Reynolds numbers. A self-consistent, but relatively complex, two-layer structure exists and the simplest situation, corresponding to a plane of symmetry, is considered in this paper as a first step. The adjustment of the streamwise velocity to relative rest, through an outer defect layer and then an inner wall layer, is similar to that in two-dimensional flow. The adjustment of the cross-streamwise velocity is more complicated and it is shown that two terms in the expansion are required to obtain useful results, and in particular to obtain the velocity skew angle at the wall near the symmetry plane. The conditions under which self-similarity is achieved near a plane of symmetry are investigated. A set of ordinary differential equations is developed which describe the streamwise and cross-streamwise velocities near a plane of symmetry in a self-similar flow through two orders of magnitude. Calculated numerical solutions of these equations yield trends which are consistent with experimental observations.

Degani, A. T.↗
DOE OSTI2025

A thermodynamically consistent discretization of 1D thermal-fluid models using their metriplectic 4-bracket structure

Thermodynamically consistent models in continuum physics, i.e. models which satisfy the first and second laws of thermodynamics, may be expressed using the metriplectic formalism. In this work, we leverage the structures underlying this modeling formalism to preserve thermodynamic consistency in discretizations of a fluid model. The procedure relies (1) on ensuring that the spatial semi-discretization retains certain symmetries and degeneracies of the Poisson and metriplectic 4-brackets, and (2) on the use of an appropriate energy conserving time-stepping method. Here, the minimally simple yet nontrivial example of a one-dimensional thermal-fluid model is treated. It is found that preservation of the requisite symmetries and degeneracies of the 4-bracket is relatively simple to ensure in Galerkin spatial discretizations, suggesting a path forward for thermodynamically consistent discretizations of more complex fluid models using more specialized Galerkin methods.

Hamiltonian structure↗
DOE OSTI2023

The DESC stellarator code suite Part 3: Quasi-symmetry optimization

The DESC stellarator optimization code takes advantage of advanced numerical methods to search the full parameter space much faster than conventional tools. Only a single equilibrium solution is needed at each optimization step thanks to automatic differentiation, which efficiently provides exact derivative information. A Gauss–Newton trust-region optimization method uses second-order derivative information to take large steps in parameter space and converges rapidly. With just-in-time compilation and GPU portability, high-dimensional stellarator optimization runs take orders of magnitude less computation time with DESC compared to other approaches. This paper presents the theory of the DESC fixed-boundary local optimization algorithm along with demonstrations of how to easily implement it in the code. Example quasi-symmetry optimizations are shown and compared to results from conventional tools. Three different forms of quasi-symmetry objectives are available in DESC, and their relative advantages are discussed in detail. In the examples presented, the triple product formulation yields the best optimization results in terms of minimized computation time and particle transport. This paper concludes with an explanation of how the modular code suite can be extended to accommodate other types of optimization problems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗