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DOE OSTI2020

Toroidal States of the 12 C Nucleus

Among the states of 12 C, there is an important subset of $K$ = 0 and $K$ = I planar intrinsic states in which the intrinsic motion of the nucleons are confined in the planar region defined by the three-alpha cluster or by their generated toroid. The intrinsic nuclear densities of these states are toroidal in nature. In this work we study these 12 C toroidal states from the generator-coordinate viewpoints in both the alpha cluster model and the toroidal shell model. Numerical solutions in the toroidal mean field approximation are examined to pave the way for future extensions and refinements.

12C Hoyle state↗

DOE OSTI2020

Open string QED meson description of the X17 particle and dark matter

As a quark and an antiquark cannot be isolated, the intrinsic motion of a composite $q\overline{q}$ system in its lowest-energy states lies predominantly in 1+1 dimensions, as in an open string with the quark and the antiquark at its two ends. Accordingly, we study the lowest-energy states of an open string $q\overline{q}$ system in QCD and QED in 1+1 dimensions. We show that π 0 , η, and η' can be adequately described as open string $q\overline{q}$ QCD mesons. By extrapolating into the $q\overline{q}$ QED sector in which a quark and an antiquark interact with the QED interaction, we find an open string isoscalar I(J π ) = 0(0 - ) QED meson state at 17.9±1.5 MeV and an isovector (I(J π ) = 1(0 - ), I 3 = 0) QED meson state at 36.4±3.8 MeV. The predicted masses of the isoscalar and isovector QED mesons are close to the masses of the hypothetical X17 and E38 particles observed recently, making them good candidates for these particles. The decay products of QED mesons may show up as excess e + e - and γγ pairs in the anomalous soft photon phenomenon associated with hadron productions in high-energy hadron-proton collisions and e + -e - annihilations. Measurements of the invariant masses of excess e + e - and γγ pairs will provide tests for the existence of the open string $q\overline{q}$ QED mesons. An assembly of gravitating QED mesons are expected to emit electron-positron pairs and/or gamma rays and their decay energies and lifetimes will be modified by their gravitational binding energies. Consequently, a self-gravitating isoscalar QED meson assembly whose mass M and radius R satisfy (M/M ⊙ )/(R/R ⊙ ) ≳ 2 4.71 × 10 5 will not produce electron-positron pairs nor gamma rays and may be a good candidate for the primordial dark matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Beyond curvature-driven grain growth: Insights from fully anisotropic Monte Carlo Potts simulations

Grain boundary (GB) motion away from the center of curvature, termed anti-curvature behavior, has recently been observed in 3D experiments but is not predicted by classical grain growth theory. In this study, we investigate this behavior using a novel, fully anisotropic Monte Carlo Potts (MCP) model that incorporates both misorientation and inclination dependencies of GB energy. We perform 3D grain growth simulations with isotropic and anisotropic GB energies to explore the relationship between GB velocity and curvature. Contrary to the classical relation that velocity is a product of reduced mobility and mean curvature, we observe no consistent correlation between velocity and mean curvature for individual GBs, even under isotropic conditions, though there is correlation between the average velocity and curvature for some cases. The 3D simulations exhibit frequent anti-curvature motion regardless of GB energy anisotropy including with isotropic GBs, though larger curvatures occur with anisotropic GB energy functions that promote low-energy GBs. In 2D simulations, anti-curvature behavior only occurs with the anisotropic functions that favor low-energy GBs. This difference between 2D and 3D results suggests that anti-curvature behavior results in part from the increased freedom of motion intrinsic in 3D GB networks. Furthermore, our results support recent experimental observations that demonstrate that simple curvature-driven models are insufficient for describing GB migration in polycrystals.

Anti-curvature↗

DOE OSTI2022

On the stability of the open-string QED neutron and dark matter

We study the stability of a hypothetical QED neutron, which consists of a color-singlet system of two d quarks and a u quark interacting with the QED interaction. As a quark cannot be isolated, the intrinsic motion of the three quarks in the lowest-energy state may lie predominantly in 1 + 1 dimensions, as in a d-u-d open string. The attractive d-u and u-d QED interactions may overcome the weaker repulsive d-d QED interaction to bind the three quarks together. We examine the QED neutron in a phenomenological three-body problem in 1 + 1 dimensions with an effective interaction extracted from Schwinger’s exact QED solution in 1 + 1 dimensions. The phenomenological model in a variational calculation yields a stable QED neutron at 44.5 MeV. The analogous QED proton with two u quarks and a d quark has been found to be too repulsive to be stable and does not have a bound or continuum state, onto which the QED neutron can decay via the weak interaction. Consequently, the QED neutron is stable against the weak decay, has a long lifetime, and is in fact a QED dark neutron. It may be produced following the deconfinement-to-confinement phase transition of the quark gluon plasma in high-energy heavy-ion collisions. Because of the long lifetime of the QED dark neutron, self-gravitating assemblies of QED dark neutrons or dark antineutrons may be good candidates for a part of the primordial dark matter produced during the phase transition of the quark gluon plasma in the evolution of the early Universe.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Transverse spin effects in hard semi-inclusive collisions

The nucleons (protons and neutrons) are by far the most abundant form of matter in our visible Universe; they are composite particles made of quarks and gluons, the fundamental quanta of Quantum Chromo Dynamics (QCD). The usual interpretation of the nucleon dynamics in high energy interactions is often limited to a simple one-dimensional picture of a fast moving nucleon as a collection of co-linearly moving quarks and gluons (partons), interacting accordingly to perturbative QCD rules. However, massive experimental evidence shows that, in particular when transverse spin dependent observables are involved, such a simple picture is not adequate. The intrinsic transverse motion of partons has to be taken into account; this opens the way to a new, truly 3-dimensional (3D) study of the nucleon structure. A review of the main experimental data, their interpretation and understanding in terms of new transverse momentum dependent partonic distributions, and the progress in building a 3D imaging of the nucleon is presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Equation of motion coupled-cluster cumulant approach for intrinsic losses in x-ray spectra

We present an equation of motion coupled cluster approach for calculating and understanding intrinsic inelastic losses in core level x-ray absorption spectra (XAS). The method is based on a factorization of the transition amplitude in the time-domain, which leads to a convolution of an effective one-body spectrum and the core-hole spectral function. The spectral function characterizes these losses in terms of shake-up excitations and satellites, and is calculated using a cumulant representation of the core-hole Green’s function that includes non-linear corrections. The one-body spectrum also includes orthogonality corrections that enhance the XAS at the edge.

Rehr, John J.↗

DOE OSTI2025

Reversible long-range domain wall motion in an improper ferroelectric

Reversible ferroelectric domain wall movements beyond the 10 nm range associated with Rayleigh behavior are usually restricted to specific defect-engineered systems. Here, we demonstrate that such long-range movements naturally occur in the improper ferroelectric ErMnO 3 during electric-field-cycling. We study the electric-field-driven motion of domain walls, showing that they readily return to their initial position after having traveled distances exceeding 250 nm. By applying switching spectroscopy band-excitation piezoresponse force microscopy, we track the domain wall movement with nanometric spatial precision and analyze the local switching behavior. Phase field simulations show that the reversible long-range motion is intrinsic to the hexagonal manganites, linking it to their improper ferroelectricity and topologically protected structural vortex lines, which serve as anchor point for the ferroelectric domain walls. Our results give new insight into the local dynamics of domain walls in improper ferroelectrics and demonstrate the possibility to reversibly displace domain walls over much larger distances than commonly expected for ferroelectric systems in their pristine state, ensuring predictable device behavior for applications such as tunable capacitors or sensors.

Zahn, Manuel [Norwegian Univ. of Science and Techn↗

DOE OSTI2024

Exploring Local Ionic Motion in Perovskite Solar Cells at Nanoscale through Scanning Thermo-Ionic Microscopy

We investigate the local ionic motion in the absorber layer of perovskite solar cells using scanning thermo-ionic microscopy (STIM). STIM images of perovskite films show higher STIM amplitude at most of the grain boundaries due to higher ionic motion at those regions. The perovskite absorber layer of devices aged under blue (450 nm) light soaking shows higher amplitude in STIM signal compared to controls kept in dark storage. Such enhancement of STIM amplitude upon aging under light implies an increased concentration or diffusivity (or both) of mobile ionic species in stressed devices. Our results demonstrate the utilization of the STIM technique to assess and understand the intrinsic local ionic motion in perovskite absorbers for further advancement in device stability and functionality.

aging↗

DOE OSTI2023

Real Space and Time Imaging of Collective Headgroup Dipole Motions in Zwitterionic Lipid Bilayers

Lipid bilayers are supramolecular structures responsible for a range of processes, such as transmembrane transport of ions and solutes, and sorting and replication of genetic materials, to name just a few. Some of these processes are transient and currently, cannot be visualized in real space and time. Here, we developed an approach using 1D, 2D, and 3D Van Hove correlation functions to image collective headgroup dipole motions in zwitterionic phospholipid bilayers. We show that both 2D and 3D spatiotemporal images of headgroup dipoles are consistent with commonly understood dynamic features of fluids. However, analysis of the 1D Van Hove function reveals lateral transient and re-emergent collective dynamics of the headgroup dipoles—occurring at picosecond time scales—that transmit and dissipate heat at longer times, due to relaxation processes. At the same time, the headgroup dipoles also generate membrane surface undulations due a collective tilting of the headgroup dipoles. A continuous intensity band of headgroup dipole spatiotemporal correlations—at nanometer length and nanosecond time scales—indicates that dipoles undergo stretching and squeezing elastic deformations. Importantly, the above mentioned intrinsic headgroup dipole motions can be externally stimulated at GHz-frequency scale, enhancing their flexoelectric and piezoelectric capabilities (i.e., increased conversion efficiency of mechanical energy into electric energy). In conclusion, we discuss how lipid membranes can provide molecular-level insights about biological learning and memory, and as platforms for the development of the next generation of neuromorphic computers.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

3D Hydrodynamics of Pre-supernova Outbursts in Convective Red Supergiant Envelopes

Eruptive mass loss likely produces the energetic outbursts observed from some massive stars before they become core-collapse supernovae (SNe). The resulting dense circumstellar medium may also cause the subsequent SNe to be observed as Type IIn events. The leading hypothesis of the cause of these outbursts is the response of the envelope of the red supergiant (RSG) progenitor to energy deposition in the months to years prior to collapse. Early theoretical studies of this phenomenon were limited to 1D, leaving the 3D convective RSG structure unaddressed. Using FLASH's hydrodynamic capabilities, we explore the 3D outcomes by constructing convective RSG envelope models and depositing energies less than the envelope binding energies on timescales shorter than the envelope dynamical time deep within them. We confirm the 1D prediction of an outward-moving acoustic pulse steepening into a shock, unbinding the outermost parts of the envelope. However, we find that the initial 2–4 km s -1 convective motions seed the intrinsic convective instability associated with the high-entropy material deep in the envelope, enabling gas from deep within the envelope to escape and increasing the amount of ejected mass compared to an initially "quiescent" envelope. The 3D models reveal a rich density structure, with column densities varying by ≈10× along different lines of sight. Our work highlights that the 3D convective nature of RSG envelopes impacts our ability to reliably predict the outburst dynamics, the amount, and the spatial distribution of the ejected mass associated with deep energy deposition.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

In situ electric field X-ray total scattering reveals composition-dependent electromechanical strain mechanisms in (1 − x )BiFe 2/8 Ti 3/8 Mg 3/8 O 3 – x PbTiO 3 ceramics

Ferroelectric materials find many applications in energy and aerospace industries. A major challenge for ferroelectric materials is maintaining their properties at elevated temperatures. The (1 − x )BiFe 2/8 Ti 3/8 Mg 3/8 O 3 – x PbTiO 3 (BFTM–xPT) ferroelectric solid solution is a promising candidate for high-temperature applications as it has a high piezoelectric response while also maintaining its ferroelectric phase until a high Curie temperature (T C ) of 650 °C. In this work, we investigate the piezoelectric mechanism in BFTM–xPT, a novel high-T C ferroelectric ceramic. To elucidate the origin of its enhanced piezoelectric performance, relative to other piezoceramics of similar T C , in situ electric field X-ray total scattering experiments were performed. Total scattering combines Bragg scattering (diffraction) and diffuse scattering (pair distribution function), providing insight on various length scales. With information spanning different length scales, extrinsic contributions (i.e., domain wall motion and interphase boundary motion) can be separated from intrinsic contributions (i.e., piezoelectric lattice strain). We show that, for compositions within the morphotropic phase boundary (MPB, x = 0.325), the piezoelectric response is dominated by intrinsic piezoelectric lattice strain, whereas outside the MPB (x = 0.375) the major component of the piezoelectric response is from extrinsic mechanisms including an electric-field-induced phase transition and tetragonal domain wall motion. This article reveals that the origin of piezoelectric response in BFTM–xPT is composition-dependent and shows that high-performance materials may also be located outside the MPB. These findings can help guide material design to optimize properties for specific applications.

Richtik, Brooke N. [University of Calgary, AB (Can↗

DOE OSTI2025

Planetary waves can activate resonant drag instabilities in 3D dusty gaseous discs

Resonant drag instabilities (RDIs) in protoplanetary discs are driven by the aerodynamic back-reaction of dust on gas and occur when the relative dust-gas motion resonate with a wave mode intrinsic to the gas fluid. Axisymmetric models indicate that the RDI generates filamentary perturbations, leading to grain clumping and planetesimal formation. Motivated by these findings, we investigate the dust–gas interaction in a non-axisymmetric inviscid protoplanetary disc with an embedded low-mass planet ($M_{\mathrm{p}}\in [0.3, 3] \, \rm M_{\oplus }$, here $\, \rm M_{\oplus }$ is the Earth mass). We conduct global 3D high-resolution two-fluid simulations, with the dust being parametrized by the Stokes number $\mathrm{St}\in [0.01,0.5]$. We find that planetary waves (PWs; also known as Rossby waves), which propagate along the downstream separatrices of the horseshoe region, resonate with the streaming motion and trigger the RDI. The consequent development of a global-scale filamentary dust distribution does not sensitively depend on the Stokes number, nor does it depend on the fast dust settling that takes place in an inviscid disc. The rapid onset of this instability, which is comparable to the dynamical orbital time-scale, suppresses the formation of asymmetric structures in the dust in the vicinity of the planet (such as dust voids and filaments). Additionally, we find that the dust feedback enables buoyancy resonances in an otherwise non-buoyant (globally isothermal) disc. Therefore, our results provide the first numerical evidence of RDIs generation driven by planetary waves.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Tunable Stochasticity in an Artificial Spin Network

Metamaterials present the possibility of artificially generating advanced functionalities through engineering of their internal structure. Artificial spin networks, in which a large number of nanoscale magnetic elements are coupled together, are promising metamaterial candidates that enable the control of collective magnetic behavior through tuning of the local interaction between elements. In this work, the motion of magnetic domain-walls in an artificial spin network leads to a tunable stochastic response of the metamaterial, which can be tailored through an external magnetic field and local lattice modifications. This type of tunable stochastic network produces a controllable random response exploiting intrinsic stochasticity within magnetic domain-wall motion at the nanoscale. An iconic demonstration used to illustrate the control of randomness is the Galton board. In this system, multiple balls fall into an array of pegs to generate a bell-shaped curve that can be modified via the array spacing or the tilt of the board. A nanoscale recreation of this experiment using an artificial spin network is employed to demonstrate tunable stochasticity. Furthermore, this type of tunable stochastic network opens new paths toward post-Von Neumann computing architectures such as Bayesian sensing or random neural networks, in which stochasticity is harnessed to efficiently perform complex computational tasks.

Artificial spin network↗

DOE OSTI2021

Effect of the inversion symmetry breaking on the orbital Hall effect: A model study

The orbital Hall effect (OHE) is the transverse flow of orbital moment in a solid in response to an applied electric field, analogous to the flow of spin moment in the spin Hall effect (SHE). Although the effect has not been directly observed, there is ample indirect evidence for its existence in a number of experiments. Here, we show that the OHE is enhanced in solids with broken inversion symmetry, which may be more suitable to observe the effect. The mechanism of the OHE is fundamentally different in solids with inversion symmetry, where the orbital moment is quenched in the Brillouin zone (BZ), from that in a solid with broken inversion symmetry, where an intrinsic orbital moment is already present, the motion of which under the applied electric field could lead to a robust OHE. Using a tight-binding model Hamiltonian of a simple cubic lattice with two atoms in the unit cell, we study the effect of the inversion symmetry breaking on the OHE. We show that with the increase in the strength of the broken symmetry, the magnitude of the intrinsic orbital moment in the Brillouin zone increases. This, in turn, enhances the orbital Hall conductivity, in particular, the part that is directly proportional to the orbital moment in the BZ, which we call the “noncentrosymmetric contribution.” If the spin-orbit coupling is present, which couples the orbital and spin moments, the OHE leads to the SHE, which also becomes enhanced by the broken inversion symmetry. Furthermore, our work has important implications for experimenters, suggesting that noncentrosymmetric solids may be more suitable for direct observation of the OHE.

36 MATERIALS SCIENCE↗

DOE OSTI2021

HIL Testbed and Motion Control Strategy for the Hybrid Hydraulic-Electric Architecture (HHEA)

The Hybrid Hydraulic-Electric Architecture (HHEA) was proposed in recent years to increase system efficiency of high power mobile machines and to reap the benefits of electrification without the need for large electric machines. It uses a set of common pressure rails to provide the majority of power hydraulically and small electric motors to modulate that power for precise control. This paper presents the development of a Hardware-in-the-loop (HIL) test-bed for testing motion control strategies for the HHEA. Precise motion control is important for off-road vehicles whose utility requires the machine being dexterous and performing tasks exactly as commanded. Motion control for the HHEA is challenging due to its intrinsic use of discrete pressure rail switches to minimize system efficiency or to keep the system within the torque capabilities of the electric motor. The motion control strategy utilizes two different controllers: a nominal passivity based back-stepping controller used in between pressure rail switches and a transition controller used to handle the event of a pressure rail switch. In this paper, the performance of the nominal control under various nominal and rail switching scenarios is experimentally evaluated on the HIL testbed.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2025

A Printed Microscopic Universal Gradient Interface for Super Stretchable Strain‐Insensitive Bioelectronics

Abstract Stretchable electronics capable of conforming to nonplanar and dynamic human body surfaces are central for creating implantable and on‐skin devices for high‐fidelity monitoring of diverse physiological signals. While various strategies have been developed to produce stretchable devices, the signals collected from such devices are often highly sensitive to local strain, resulting in inevitable convolution with surface strain‐induced motion artifacts that are difficult to distinguish from intrinsic physiological signals. Here all‐printed super stretchable strain‐insensitive bioelectronics using a unique universal gradient interface (UGI) are reported to bridge the gap between soft biomaterials and stiff electronic materials. Leveraging a versatile aerosol‐based multi‐materials printing technique that allows precise spatial control over the local stiffnesses with submicron resolution, the UGI enables strain‐insensitive electronic devices with negligible resistivity changes under a 180% uniaxial stretch ratio. Various stretchable devices are directly printed on the UGI for on‐skin health monitoring with high signal quality and near‐perfect immunity to motion artifacts, including semiconductor‐based photodetectors for sensing blood oxygen saturation levels and metal‐based temperature sensors. The concept in this work will significantly simplify the fabrication and accelerate the development of a broad range of wearable and implantable bioelectronics for real‐time health monitoring and personalized therapeutics.

Song, Kaidong [Department of Aerospace and Mechani↗

DOE OSTI2020

Atomic force microscopy phase imaging of epitaxial graphene films

Abstract Dynamic mode atomic force microscopy phase imaging is known to produce distinct contrast between graphene areas of different atomic thickness. But the intrinsic complexity of the processes controlling the tip motion and the phase angle shift excludes its use as an independent technique for a quantitative type of analysis. By investigating the relationship between the phase shift, the tip-surface interaction, and the thickness of the epitaxial graphene areas grown on silicon carbide, we shed light on the origin of such phase contrast, and on the complex energy dissipation processes underlying phase imaging. In particular, we study the behavior of phase shift and energy dissipation when imaging the interfacial buffer layer, single-layer, and bilayer graphene regions as a function of the tip-surface separation and the interaction forces. Finally, we compare these results with those obtained on differently-grown quasi free standing single- and bilayer graphene samples.

Lavini, Francesco (ORCID:0000000257223040)↗

DOE OSTI2025

Skyrmion-skyrmionium phase separation and laning transitions via spin-orbit torque currents

Many driven binary systems can exhibit laning transitions when the two species have different mobilities, such as colloidal particles with opposite charges in electric fields. Another example is pedestrian or active-matter systems, where particles moving in opposite directions form a phase-separated state that enhances the overall mobility. In this work, we use atomistic simulations to demonstrate that mixtures of skyrmions and skyrmioniums also exhibit pattern formation and laning transitions. Skyrmions move more slowly and at a finite skyrmion Hall angle compared to skyrmioniums, which move faster and without a skyrmion Hall effect. At low drives, the system forms a partially jammed phase where the skyrmioniums are dragged by the surrounding skyrmions, resulting in a finite angle of motion for the skyrmioniums. At higher drives, the system transitions into a laned state, but unlike colloidal systems, the lanes in the skyrmion-skyrmionium mixture are tilted relative to the driving direction due to the intrinsic skyrmion Hall angle. In the laned state, the skyrmionium angle of motion is reversed when it aligns with the tilted lane structure. At even higher drives, the skyrmioniums collapse into skyrmions. Below a critical skyrmion density, both textures can move independently with few collisions, but above this density, the laning state disappears entirely, and the system transitions to a skyrmion-only state. We map out the velocity and Hall responses of the different textures and identify three distinct phases: partially jammed, laned, and skyrmion-only moving crystal states. In conclusion, we compare our results to recent observations of tilted laning phases in pedestrian flows, where chiral symmetry breaking in the particle interactions leads to similar behavior.

36 MATERIALS SCIENCE↗