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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Emergent Low-Symmetry Phases and Large Property Enhancements in Ferroelectric KNbO 3 Bulk Crystals [Emergent Low-Symmetry Phases with Large Property Enhancement in Ferroelectric KNbO 3 Bulk Crystals]

The design of new or enhanced functionality in materials is traditionally viewed as requiring the discovery of new chemical compositions through synthesis. Large property enhancements may however also be hidden within already well-known materials, when their structural symmetry is deviated from equilibrium through a small local strain or field. Here, the discovery of enhanced material properties associated with a new metastable phase of monoclinic symmetry within bulk KNbO 3 is reported. This phase is found to coexist with the nominal orthorhombic phase at room temperature, and is both induced by and stabilized with local strains generated by a network of ferroelectric domain walls. While the local microstructural shear strain involved is only ≈0.017%, the concurrent symmetry reduction results in an optical second harmonic generation response that is over 550% higher at room temperature. Moreover, the meandering walls of the low-symmetry domains also exhibit enhanced electrical conductivity on the order of 1 S m -1 . In conclusion, this discovery reveals a potential new route to local engineering of significant property enhancements and conductivity through symmetry lowering in ferroelectric crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Symmetry Parameter Constraints from a Lower Bound on Neutron-matter Energy

We propose the existence of a lower bound on the energy of pure neutron matter (PNM) on the basis of unitary-gas considerations. We discuss its justification from experimental studies of cold atoms as well as from theoretical studies of neutron matter. We demonstrate that this bound results in limits to the density-dependent symmetry energy, which is the difference between the energies of symmetric nuclear matter and PNM. In particular, this bound leads to a lower limit to the volume symmetry energy parameter S {sub 0}. In addition, for assumed values of S {sub 0} above this minimum, this bound implies both upper and lower limits to the symmetry energy slope parameter L , which describes the lowest-order density dependence of the symmetry energy. A lower bound on neutron-matter incompressibility is also obtained. These bounds are found to be consistent with both recent calculations of the energies of PNM and constraints from nuclear experiments. Our results are significant because several equations of state that are currently used in astrophysical simulations of supernovae and neutron star mergers, as well as in nuclear physics simulations of heavy-ion collisions, have symmetry energy parameters that violate these bounds. Furthermore, below the nuclear saturation density, the bound on neutron-matter energies leads to a lower limit to the density-dependent symmetry energy, which leads to upper limits to the nuclear surface symmetry parameter and the neutron-star crust–core boundary. We also obtain a lower limit to the neutron-skin thicknesses of neutron-rich nuclei. Above the nuclear saturation density, the bound on neutron-matter energies also leads to an upper limit to the symmetry energy, with implications for neutron-star cooling via the direct Urca process.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Symmetry-mode analysis for local structure investigations using pair distribution function data

Symmetry-adapted distortion modes provide a natural way of describing distorted structures derived from higher-symmetry parent phases. Structural refinements using symmetry-mode amplitudes as fit variables have been used for at least ten years in Rietveld refinements of the average crystal structure from diffraction data; more recently, this approach has also been used for investigations of the local structure using real-space pair distribution function (PDF) data. Here, the value of performing symmetry-mode fits to PDF data is further demonstrated through the successful application of this method to two topical materials: TiSe2, where a subtle but long-range structural distortion driven by the formation of a charge-density wave is detected, and MnTe, where a large but highly localized structural distortion is characterized in terms of symmetry-lowering displacements of the Te atoms. Here, the analysis is performed using fully open-source code within the DiffPy framework via two packages developed for this work: isopydistort, which provides a scriptable interface to the ISODISTORT web application for group theoretical calculations, and isopytools, which converts the ISODISTORT output into a DiffPy-compatible format for subsequent fitting and analysis. These developments expand the potential impact of symmetry-adapted PDF analysis by enabling high-throughput analysis and removing the need for any commercial software.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Symmetry breaking/symmetry preserving circuits and symmetry restoration on quantum computers

In this article, we discuss some aspects related to the symmetries of a quantum many-body problem when trying to treat it on a quantum computer. Several features related to symmetry conservation, symmetry breaking, and possible symmetry restoration are reviewed. After briefly discussing some of the standard symmetries relevant for many-particle systems, we discuss the advantage of encoding some symmetries directly in quantum ansätze, especially to reduce the quantum register size. It is, however, well-known that the use of symmetry-breaking states can also be a unique way to incorporate specific internal correlations when a spontaneous symmetry breaking occurs. These aspects are discussed in the quantum computing context. Ultimately, an accurate description of quantum systems can be achieved only when the initially broken symmetries are properly restored. We review several methods explored previously to perform symmetry restoration on a quantum computer, for instance, the ones based on symmetry filtering by quantum phase estimation and by an iterative independent set of Hadamard tests. We propose novel methods that pave the new directions to perform symmetry restoration, like those based on the purification of the state employing the linear combination of unitaries (LCU) approach.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Application of symmetries to differential equations: symmetry reduction and solution transformation examples

In the following lecture notes, we provide an outline of what we mean by symmetries of differential equations and illustrate their utility in simplification of differential equations which may lead to solutions. Loosely, a symmetry of a differential equation is a local group of transformations acting on the space of independent and dependent variables that transform solutions of a differential equation to new solutions, i.e., if Δ(x,u,p)=0 denotes a differential equation with a solution prescribed by [x,u,p], then knowlege of a symmetry facilitates the attainment of a new solution, [$\tilde{x}$, $\tilde{u}$, $\tilde{p}$], such that Δ(x,u,p)=Δ($\tilde{x}$, $\tilde{u}$, $\tilde{p}$)=0. In Equations (1) and (2), x, u and p denote the independent variables, dependent variables and partial derivatives, respectively and the tildes denote the transformations. Equation (2) will subsequently be referred to as the symmetry criterion. We can apply the knowlede of the existence of a symmetry in two ways: 1) If not solution is known apriori, the symmetry can be applied to simplify the differential equation through the method of symmetry reduction. Often, the resultant simplification may enable a solution to be determined; 2) If we already possess a solution to a different equation, knowledge of an admissible symmetry enables us to generate new solutions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Instability of steady-state mixed-state symmetry-protected topological order to strong-to-weak spontaneous symmetry breaking

Recent experimental progress in controlling open quantum systems enables the pursuit of mixed-state nonequilibrium quantum phases. We investigate whether open quantum systems hosting mixed-state symmetry-protected topological states as steady states retain this property under symmetric perturbations. Focusing on the decohered cluster state – a mixed-state symmetry-protected topological state protected by a combined strong and weak symmetry – we construct a parent Lindbladian that hosts it as a steady state. This Lindbladian can be mapped onto exactly solvable reaction-diffusion dynamics, even in the presence of certain perturbations, allowing us to solve the parent Lindbladian in detail and reveal previously-unknown steady states. Using both analytical and numerical methods, we find that typical symmetric perturbations cause strong-to-weak spontaneous symmetry breaking at arbitrarily small perturbations, destabilize the steady-state mixed-state symmetry-protected topological order. However, when perturbations introduce only weak symmetry defects, the steady-state mixed-state symmetry-protected topological order remains stable. Additionally, we construct a quantum channel which replicates the essential physics of the Lindbladian and can be efficiently simulated using only Clifford gates, Pauli measurements, and feedback.

Shah, Jeet [University of Maryland, College Park, ↗
DOE OSTI2017

Discrete symmetries in Heterotic/F-theory duality and mirror symmetry

We study aspects of Heterotic/F-theory duality for compacti cations with Abelian discrete gauge symmetries. We consider F-theory compacti cations on genus-one bered Calabi-Yau manifolds with n-sections, associated with the Tate-Shafarevich group Z n . Such models are obtained by studying rst a speci c toric set-up whose associated Heterotic vector bundle has structure group Z n . By employing a conjectured Heterotic/Ftheory mirror symmetry we construct dual geometries of these original toric models, where in the stable degeneration limit we obtain a discrete gauge symmetry of order two and three, for compacti cations to six dimensions. We provide explicit constructions of mirrorpairs for symmetric examples with Z 2 and Z 3 , in six dimensions. The Heterotic models with symmetric discrete symmetries are related in eld theory to a Higgsing of Heterotic models with two symmetric abelian U(1) gauge factors, where due to the Stuckelberg mechanism only a diagonal U(1) factor remains massless, and thus after Higgsing only a diagonal discrete symmetry of order n is present in the Heterotic models and detected via Heterotic/F-theory duality. These constructions also provide further evidence for the conjectured mirror symmetry in Heterotic/F-theory at the level of brations with torsional sections and those with multi-sections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Permutable SOS (symmetry operational similarity)

Abstract Based on symmetry consideration, quasi-one-dimensional (1D) objects, relevant to numerous observables or phenomena, can be classified into eight different types. We provide various examples of each 1D type and discuss their symmetry operational similarity (SOS) relationships, which are often permutable. A number of recent experimental observations, including current-induced magnetization in polar or chiral conductors, non-linear Hall effect in polar conductors, spin-polarization of tunneling current to chiral conductors, and ferro-rotational domain imaging with linear gyration are discussed in terms of (permutable) SOS. In addition, based on (permutable) SOS, we predict a large number of new phenomena in low symmetry materials that can be experimentally verified in the future.

Materials Science↗
DOE OSTI2017

Investigation of negative-parity states in Dy 156 : Search for evidence of tetrahedral symmetry

An experiment populating low/medium-spin states in 156 Dy was performed to investigate the possibility of tetrahedral symmetry in this nucleus. In particular, focus was placed on the low-spin, negative-parity states since recent theoretical studies suggest that these may be good candidates for this high-rank symmetry. The states were produced in the 148 Nd ( 12 C , 4 n ) reaction and the Gammasphere array was utilized to detect the emitted γ rays. B ( E 2 ) / B ( E 1 ) ratios of transition probabilities from the low-spin, negative-parity bands were determined and used to interpret whether these structures are best associated with tetrahedral symmetry or, as previously assigned, to octupole vibrations. In addition, several other negative-parity structures were observed to higher spin and two new sequences were established.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Transient Symmetry Controls Photo Dynamics near Conical Intersections

Excited-state chemistry lacks generalised symmetry rules. With many femtochemistry studies focused on individual cases, it is hard to build up the same level of chemical intuition for excited-states as exists for ground states. Here, we unravel the degrees of freedom involved in ultrafast internal conversion (IC) by mapping the vibrational coherence of the initial wavepacket, and the dependence on molecular symmetry in various cyclic tertiary amines. Molecular symmetry plays an important role in the preservation of vibrational coherence in the transit from one electronic state to another. We show here that it is sufficient for the molecule to simply have the possibility of a more symmetric structure to achieve the preservation of vibrational coherence. It can be transient and still lead to preservation. Furthermore, this finding provides an additional angle on how symmetry influences electronic transitions and an additional piece to the puzzle of establishing symmetry-based selection rules for excited-state processes.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Shift symmetries for p -forms and mixed symmetry fields on (A)dS

Massive fields on (anti) de Sitter space realize extended shift symmetries at particular values of their masses. We find these symmetries for all bosonic p-forms and mixed symmetry fields, in arbitrary spacetime dimension. These shift symmetric fields correspond to the missing longitudinal modes of mixed symmetry partially massless fields where the top row of the Young tableau is activated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Symmetry control in subscale near-vacuum hohlraums

Controlling the symmetry of indirect-drive inertial confinement fusion implosions remains a key challenge. Increasing the ratio of the hohlraum diameter to the capsule diameter (case-to-capsule ratio, or CCR) facilitates symmetry tuning. By varying the balance of energy between the inner and outer cones as well as the incident laser pulse length, we demonstrate the ability to tune from oblate, through round, to prolate at a CCR of 3.2 in near-vacuum hohlraums at the National Ignition Facility, developing empirical playbooks along the way for cone fraction sensitivity of various laser pulse epochs. Radiation-hydrodynamic simulations with enhanced inner beam propagation reproduce most experimental observables, including hot spot shape, for a majority of implosions. In conclusion, specular reflections are used to diagnose the limits of inner beam propagation as a function of pulse length.

42 ENGINEERING↗
DOE OSTI2018

Symmetries of a reduced fluid-gyrokinetic system

Symmetries of a fluid-gyrokinetic model are investigated using Lie group techniques. Specifically, the nonlinear system constructed, which combines nonlinear fluid equations with a drift-kinetic description of parallel electron dynamics, is studied. Significantly, this model is fully gyrokinetic, allowing for arbitrary $k_{\bot }\unicode[STIX]{x1D70C}_{i}$ , where $k_{\bot }$ is the perpendicular wave vector of the fluctuations and $\unicode[STIX]{x1D70C}_{i}$ the ion gyroradius. The model includes integral operators corresponding to gyroaveraging as well as the moment equations relating fluid variables to the kinetic distribution function. Here, a large variety of exact symmetries is uncovered, some of which have unexpected form. Using these results, new nonlinear solutions are constructed, including a helical generalization of the Chapman–Kendall solution for a collapsing current sheet.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Lightwave-driven gapless superconductivity and forbidden quantum beats by terahertz symmetry breaking

Light-induced supercurrents chart a path forward for the electromagnetic design of emergent materials phases and collective modes for quantum engineering applications. However, controlled spatial–temporal modulation of the complex order parameter characterizing such non-equilibrium macroscopic quantum states remains elusive. Such ultrafast phase-amplitude modulation can manifest via high harmonic modes beyond those allowed by equilibrium symmetries. Here, we drive moving condensate states via subcycle dynamical symmetry breaking achieved with nonlinear oscillating terahertz photocurrents. These non-equilibrium macroscopic quantum states with broken inversion symmetry are controlled via Cooper pair acceleration by asymmetric and multi-cycle terahertz photoexcitations. Furthermore, the observed supercurrent-carrying states evolve during a lightwave cycle and exhibit three distinguishing features: Anderson pseudo-spin precessions forbidden by equilibrium symmetry, strong high harmonic coherent oscillations assisted by pairing and long-lived gapless superfluidity with minimal condensate quench. Lightwave tuning of persistent photocurrents can be extended for quantum control of unconventional superconductors and topological matter, with implications on quantum gate and sensing functionalities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Engineering of flat bands and Dirac bands in two-dimensional covalent organic frameworks (COFs): relationships among molecular orbital symmetry, lattice symmetry, and electronic-structure characteristics

Two-dimensional covalent organic frameworks (2D-COFs), also referred to as 2D polymer networks, display unusual electronic-structure characteristics, which can significantly enrich and broaden the fields of electronics and spintronics. In this Focus article, the objective of this report is to lay the groundwork for the conceptual description of the fundamental relationships among the COF electronic structures, the symmetries of their 2D lattices, and the frontier molecular orbitals (MOs) of their core and linker components. We focus on monolayers of hexagonal COFs and use tight-binding model analyses to highlight the critical role of the frontier-MO symmetry, in addition to lattice symmetry, in determining the nature of the electronic bands near the Fermi level. We rationalize the intriguing feature that, when the core unit has degenerate highest occupied MOs [or lowest unoccupied MOs], the COF highest valence band [or lowest conduction band] is flat but degenerate with a dispersive band at a high-symmetry point of the Brillouin zone; the consequences of having such band characteristics are briefly described. Multi-layer and bulk 2D COFs are found to maintain the salient features of the monolayer electronic structures albeit with a reduced bandgap due to the interlayer coupling. This Focus article is thus meant to provide an effective framework for the engineering of flat and Dirac bands in 2D polymer networks.

36 MATERIALS SCIENCE↗