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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Precise Measurement of the Neutron Magnetic Form Factor Using Super-BigBite Spectrometer at Jefferson Lab

The GMn experiment (E12-09-019) was conducted at Jefferson Laboratory from late 2021 into early 2022. The goal was to make high-precision measurement of the neutron’s magnetic form factor (GMn) at multiple kinematic points, including Q2 = 3.5, 4.5, 6.5, 8.5, 10, 12, 13.5, 16, and 18 (GeV/c)2. Limited data exist for GMn in the region up to about Q2 = 10 (GeV/c)2, with existing data having large systematic uncertainty. In this experiment, the ratio method was employed to reduce systematic uncertainty by measuring the ratio of neutron and proton yields. The experiment took place at Jefferson Laboratory in Hall A, where the BigBite spectrometer was used to detect the scattered electrons, while the HCal in the SuperBigbite spectrometer was used to detect both neutrons and protons. The protons were deflected slightly upwards with the use of a large-aperture dipole magnet named BigBen, allowing for enhanced particle identification. Extraction of GMn requires taking the ratio of proton and neutron yields. Analysis efforts are still currently underway to refine corrections to the data, including detector efficiencies, radiative corrections, neutron and proton mass identification, and charge exchange.

Lashley-Colthirst, Nathaniel↗
DOE OSTI2021

Influence of Cation Size on the Local Atomic Structure and Electronic Properties of Ta Perovskite Oxynitrides

Partial anion substitution in transition metal oxides provides rich opportunities to control and tune physical and chemical properties, for example, combining the merits of oxides and nitrides. In addition, the possibility of resulting anion sublattice order provides a means to target polar and chiral structures based on a wide array of accessible structural archetypes by design. Here, in this work, we investigate the local structures of a family of perovskite tantalum oxynitrides—ATaO 2 N (A = Ba, Sr, and Ca)—using a combination of experimental and theoretical approaches including neutron total scattering, density functional theory (DFT), and ab initio molecular dynamics (AIMD) simulations. We present the first experimental study of chemical short-range order (CSRO) in CaTaO 2 N, confirming local cis N ordering of the anion sub-lattice. Our systematic exploration of a local structure across the A cation size series (from the larger Ba to the smaller Ca) reveals a perovskite motif increasingly distorted with respect to long-range average structures. DFT and AIMD simulations support the observed trends. Overall, structures with cis ordering of the nitrogen anions in each TaO 4 N 2 octahedron are favored over those with trans ordering. With diminishing A cation size, local cis ordering and Ta off-centering play decreasing roles in overall lattice stability, overshadowed by the stabilizing effects of octahedral tilting. The influence of these factors on local dipole formation and frustrated dipole ordering are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Quantum scattering of HC 5 N and para -H 2 on a new potential energy surface

In the interstellar medium (ISM), non-local thermodynamic equilibrium situations are common due to low density, and one needs to consider the effect of molecular collisions in order to interpret the observations. Among the species detected in the ISM, cyanopolyynes, with the general molecular formula HC 2n+1 N (n = 1, 2, …), are characterized by large dipole moments and small rotational constants and constitute an indispensable class of candidates for the sensitive tracers of local density and temperature. We present a study of the collisional (de-) excitation of HC 5 N by para -H 2 (p-H 2 ) in its ground rotational state, namely HC 5 N ( j 1 ) + H 2 ( j 2 = 0) → HC 5 N (j$_1^′$) + H2 (j$_2^′$ = 0), where j 1 (or j$_1^′$) and j 2 (or j$_2^′$) denote the initial (or final) rotational quantum numbers of HC 5 N and H 2 , respectively. We performed the quantum scattering calculations at low collision energy using a new four-dimensional ab initio potential energy surface. In the regime where p-H 2 remains in its rotational ground state, converged cross sections did not require including excited rotational states of p-H 2 in the rotational basis. State-to-state cross sections were computed by means of the quantum-mechanical close-coupling (CC) method and the coupled states (CS) approximation, and rate coefficients for the first 61 levels of HC 5 N were computed for the first time up to 20 K with the CC approach and up to 50 K with the CS method. CC and CS results were found to agree well at temperatures up to 20 K. Finally, these data should allow a more accurate derivation of the HC 5 N abundance in molecular clouds.

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

Ferroelectric Large Polarons and Defect Tolerance in Multi-Component Lead Halide Perovskites

Solvation plays a pivotal role in chemistry and biology. A solid-state analogy of solvation is polaron formation, but the magnitude of Coulomb screening is typically an order-of-magnitude weaker than that of solvation in aqueous solutions. Here the PI aims to explore a new class of polarons, the ferroelectric large polaron, which allows efficient Coulomb screening of an electron or hole by extended ordering of dipoles from symmetry-broken unit cells. This kind of local ordering is reflected in the ferroelectric-like THz dielectric responses of lead halide perovskites (LHPs) and may be partially responsible for their exceptional optoelectronic performances. A charge carrier may be localized to and/or induce the formation of nanoscale domain boundaries of locally ordered dipoles in a ferroelectric or paraelectric material, i.e., crystal structure with polar unit cells or polar fluctuations. The ability to form ferroelectric large polarons can result in the efficient screening of charge carriers from scattering with other charge carriers, with charged defects, and with longitudinal optical phonons, thus contributing to enhanced optoelectronic properties. During the past funding period, the PI has explored efficient charge carrier screening in three-dimensional (3D) LHP crystals and has developed the ferroelectric large polaron model to explain a range of carrier properties in these materials. The PI has also developed a new experimental tool, two-dimensional optical Kerr effect (2D-OKE), which is particularly powerful in probing photophysical properties with exquisite energy resolution at or near the bandgap. During the next funding periods, the PI aims to establish the applicability of the ferroelectric large polaron proposal as a general principle for the design/search of defect tolerant semiconductors in optoelectronics. Preliminary experiments on model semiconductor systems beyond LHPs have demonstrated the feasibility of the proposed research.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Quantum metric nonlinear Hall effect in a topological antiferromagnetic heterostructure

Quantum geometry in condensed matter physics has two components: the real part quantum metric and the imaginary part Berry curvature. Whereas the effects of Berry curvature have been observed through phenomena such as the quantum Hall effect in 2D electron gases and the anomalous Hall effect (AHE) in ferromagnets, quantum metric has rarely been explored. Here, in this paper, we report a nonlinear Hall effect induced by quantum metric dipole by interfacing even-layered MnBi 2 Te 4 with black phosphorus. The quantum metric nonlinear Hall effect switches direction upon reversing the AFM spins and exhibits distinct scaling that is independent of the scattering time. Our results open the door to discovering quantum metric responses predicted theoretically and pave the way for applications that bridge nonlinear electronics with AFM spintronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Charge Tethering Drives Intermediate-Range Order and Slow Dynamics in Zwitterionic Liquids

We have synthesized and characterized a family of zwitterionic liquids (ZwLs) based on the poly(ethylene oxide) imidazolium cation and the alkyl sulfonate anion. To better rationalize ZwLs′ structural behavior and networkforming properties, we have computationally studied them in contrast to isostructural but chemically untethered ionic liquid (IL) analogues. Perhaps surprisingly, it is the molecular liquids and not the ILs that show the most selfassembly and intermediate-range order associated with scattering prepeaks; the ZwLs display also the slowest dynamics. This is consistent with prior work showing the importance of networks in considering the viscoelastic relaxation of liquids. We find that, because of their significantly large molecular dipoles, these zwitterions are versatile network-building blocks that result in highly viscous liquids. From a structural perspective, networks in these ZwLs sit somewhere in between what would be true chemical connectivity and the Coulombic networks observed in ionic liquids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

TMD factorisation for diffractive jets in photon-nucleus interactions

Abstract Using the colour dipole picture and the colour glass condensate effective theory, we study the diffractive production of two or three jets via coherent photon-nucleus interactions at high energy. We consider the hard regime where the photon virtuality and/or the transverse momenta of the produced jets are much larger than the saturation momentumQ s of the nuclear target. We show that, despite this hardness, the leading-twist contributions are controlled by relatively large parton configurations, with transverse sizesR~ 1/Q s , which undergo strong scattering and probe gluon saturation. We demonstrate that these leading-twist contributions admit transverse-momentum dependent (TMD) factorisation, in terms of quark and gluon diffractive TMD distribution functions, for which we obtain explicit expressions from first principles. We go beyond our previous work by evaluating the contributions involving the quark diffractive distributions and by establishing that their DGLAP evolution emerges via controlled calculations within the colour dipole picture. We find the same expression for the quark diffractive TMD in two different processes (semi-inclusive diffraction and the diffractive production of quark-gluon dijets), thus demonstrating its universality.

Physics↗
DOE OSTI2022

Universal Properties of Weakly Bound Two-Neutron Halo Nuclei

We construct an effective field theory of a two-neutron halo nucleus in the limit where the two-neutron separation energy B and the neutron-neutron two-body virtual energy ε n are smaller than any other energy scale in the problem, but the scattering between the core and a single neutron is not fine-tuned, and the Efimov effect does not operate. The theory has one dimensionless coupling which formally runs to a Landau pole in the ultraviolet. We show that many properties of the system are universal in the double fine-tuning limit. The ratio of the mean-square matter radius and charge radius is found to be < r$^{2}_{m}$ > / < r$^{2}_{c}$ > = Af(ε n /B), where A is the mass number of the core and f is a function of the ratio ε n / B which we find explicitly. In particular, when B >> ε n , < r$^{2}_{m}$ > / < r$^{2}_{c}$ > = 2/3 A . Here, the shape of the E1 dipole strength function also depends only on the ratio ε n /B and is derived in explicit analytic form. We estimate that for the 22 C nucleus higher-order corrections to our theory are of the order of 20% or less if the two-neutron separation energy is less than 100 keV and the s-wave scattering length between a neutron and a 20 C nucleus is less than 2.8 fm.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

A new perspective on lone pair dynamics in halide perovskites

Halide perovskites form the foundation of an emerging class of materials for broad application in renewable and sustainable applications, including photocatalysis and solar energy harvesting. These materials exhibit beneficial photophysical properties, including bandgaps suitable for solar energy harvesting and efficient charge screening that underlies efficient charge carrier separation and resistance to defects. For organic–inorganic hybrid perovskites, these benefits are thought to arise, in part, from dipolar molecular cations that can reorient in response to charged particles and defects. In this work, we provide a similar perspective for inorganic metal halide perovskites, which do not contain molecular species with permanent dipoles. We discuss how lone pair electrons lead to dipolar ions that exhibit dynamics in analogy with traditional molecular plastic crystals and hybrid perovskites. We argue that further understanding these electronic plastic crystal motions with first principles simulations and synchrotron scattering can help create a basic understanding of photophysical properties of metal halide perovskites and inform the design of advanced functional materials.

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

Proposed Longitudinal Profile Diagnostics for Optical Stochastic Cooling of Stored Electrons in the IOTA Ring

One of the predicted signatures of successful optical stochastic cooling (OSC) in the Fermilab Integrable Optics Test Accelerator (IOTA) ring is reduction of the bunch length. The IOTA OSC experiment is designed for a low nominal beam current (~0.1 microAmps of 100-MeV electrons) to reduce intrabeam scattering (IBS), and during cooling, OSC is expected to reduce the bunch length from ~200 ps to ~130 ps*. These equilibrium bunch lengths can be measured using a streak camera and the optical synchrotron radiation (OSR) generated in a ring dipole by the circulating beam. A similar measurement was previously performed at the Advanced Photon Source with a Hamamatsu C5680 synchroscan streak camera operating at 117.3 MHz**. In this case, synchronous summing of OSR resulted in a bunch length measurement of 276 ± 30 ps using only 57 electrons circulating at 425 MeV. At IOTA, an existing streak camera has been modified to operate at the 11th harmonic of the ring’s revolution frequency of 7.50 MHz and has been installed on an OSR port in support of the OSC experiments. The integrated system will have sufficient sensitivity and resolution for measuring the evolution and equilibrium values of the bunch length during OSC experiments.

Lumpkin, Alex H.↗
DOE OSTI2022

Pitch-Angle Diffusion in the Earth’s Magnetosphere Organized by the Mozer-Transformed Coordinate System

In the Earth’s dipole magnetosphere finite-gyroradius effects produce a shift of the atmospheric loss cone away from the direction of the magnetic field. This loss-cone shift is theoretically described by the “Mozer transform”, which is based upon the curvature drift of particles crossing the equatorial plane. For positive ions the northern and southern loss cones both shift westward and for electrons the northern and southern loss cones both shift eastward. This loss-cone shift is part of a coordinate-system transform, with the transformed coordinates better organizing the behavior of particle orbits in the dipole magnetic field (e.g. first adiabatic invariants, mirror heights, and bounce times). In this report it is demonstrated that the transformed coordinate system also properly organizes pitch-angle diffusion. This improved organization of the diffusion is true whether the angular scattering is produced by plasma-wave scattering or by field-line-curvature (FLC) scattering. It is shown that FLC scattering and the loss cone shift are linked, so that if FLC scattering is occurring, there is a loss cone shifted away from the magnetic-field direction and the Mozer-transformed coordinates are needed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Magnetic properties and signatures of moment ordering in the triangular lattice antiferromagnet KCeO 2

The magnetic ground state and the crystalline electric field level scheme of the triangular lattice antiferromagnet KCeO 2 are investigated here. Below $T_N$ = 300 mK, KCeO 2 develops signatures of magnetic order in specific heat measurements and low energy inelastic neutron scattering data. Trivalent Ce 3+ ions in the $D_{3d}$ local environment of this compound exhibit large splittings among the lowest three 4$f^1$ Kramers doublets defining for the free ion the $\textit{J}$ = 5/2 sextet and a ground state doublet with dipole character, consistent with recent theoretical predictions by Eldeeb et al. [Phys. Rev. Materials 4, 124001 (2020)]. An unexplained, additional local mode appears, and potential origins of this anomalous mode are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Thermal disorder and phonon softening in the ferroelectric phase transition of lead titanate

We report a molecular dynamics study of ab initio quality of the ferroelectric phase transition in crystalline PbTi⁢O3. We model anharmonicity accurately in terms of potential energy and polarization surfaces trained on density functional theory data with modern machine learning techniques. Our simulations demonstrate that the transition has a strong order-disorder character, in agreement with diffraction experiments, and provide fresh insight into the approach to equilibrium across the phase transition. We find that the emergence and disappearance of the macroscopic polarization is driven by dipolar switching at the nanometer scale. We also computed the infrared optical absorption spectra in both the ferroelectric and the paraelectric phases, finding good agreement with the experimental Raman frequencies. Often, the almost ideal displacive character of the soft mode detected by Raman scattering in the paraelectric phase has been contrasted with the order-disorder character of the transition suggested by diffraction experiments. We settle this issue by showing that the soft mode coexists with a strong Debye relaxation associated with thermal disordering of the dipoles. The Debye relaxation feature is centered at zero frequency and appears near the transition temperature in both the ferroelectric and the paraelectric phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Precision Measurements of the Neutron Magnetic Form Factor to High Momentum Transfer using Durand's Method

Protons and neutrons, collectively known as nucleons, along with electrons, constitute the funda- mental building blocks of the visible universe. Understanding their internal structure is crucial for addressing key scientific questions about our origin and existence. Elastic electron-nucleon scatter- ing provides insights into the spatial distributions of charge and current within nucleons through their electromagnetic form factors. Accurate knowledge of these form factors over a broad range of Q2, the squared four-momentum transfer in the scattering process, reveals details about the nucleon’s internal structure. However, high-Q2 data of the nucleon electromagnetic form factor is scarce due to the challenges associated with such measurements. This thesis reports preliminary results from high-precision measurements of the neutron magnetic form factor (Gn M ) to unprecedented Q2 using Durand’s method, also known as the “ratio” method. Systematic errors are greatly reduced by extracting Gn M from the ratio of neutron-coincident (D(e, e'n)) to proton-coincident (D(e, e'p)) quasi-elastic electron scattering from deuteron. The scattered electrons were detected in the BigBite spectrometer, which features multiple Gas Elec- tron Multiplier (GEM) layers with large active area for high-precision tracking at very high rates. Simultaneous nucleon detection was performed by the Super BigBite spectrometer, which utilizes a dipole magnet with large solid angle acceptance at forward angles and a novel hadron calorimeter with very high and comparable detection efficiencies for both protons and neutrons. This setup could handle very high luminosity, making high-Q2 measurements feasible. Data were collected at five Q2 points: 3, 4.5, 7.4, 9.9, and 13.6 (GeV/c)2. Preliminary results are reported for all, with the lowest two Q2 points in good agreement with existing world data, while the higher points significantly extend the Q2 range in which Gn M is known accurately. The precision of the highest Q2 point is expected to remain unmatched for years to come.

Datta, Provakar↗
DOE OSTI2021

Near‐Field Characterization of Higher‐Order Topological Photonic States at Optical Frequencies

Abstract Higher‐order topological insulators (HOTIs) represent a new type of topological system, supporting boundary states localized over boundaries, two or more dimensions lower than the dimensionality of the system itself. Interestingly, photonic HOTIs can possess a richer physics than their original condensed matter counterpart, supporting conventional HOTI states based on tight‐binding coupling, and a new type of topological HOTI states enabled by long‐range interactions. Here, a new mechanism to establish all‐dielectric infrared HOTI metasurfaces exhibiting both types of HOTI states is proposed, supported by a topological transition accompanied by the emergence of topological Wannier‐type polarization. Two kinds of near‐field experimental studies are performed: i) the solid immersion spectroscopy and ii) near‐field imaging using scattering scanning near‐field optical microscopy to directly observe the topological transition and the emergence of HOTI states of two types. It is shown that the near‐field profiles indicate the displacement of the Wannier center across the topological transition leading to the topological dipole polarization and emergence of the topological boundary states. The proposed all‐dielectric HOTI metasurface offers a new approach to confine the optical field in micro‐ and nano‐scale topological cavities and thus paves the way to achieve a novel nanophotonic technology.

Vakulenko, Anton↗
DOE OSTI2024

Probing the sterile neutrino dipole portal with SN1987A and low-energy supernovae

Beyond the Standard Model electromagnetic properties of neutrinos may lead to copious production of sterile neutrinos in the hot and dense core of a core-collapse supernova. In this work, we focus on the active-sterile transition magnetic moment portal for heavy sterile neutrinos. Firstly, we revisit the SN1987A cooling bounds for dipole portal using the integrated luminosity method, which yields more reliable results (especially in the trapping regime) compared to the previously explored via emissivity loss, also known as the Raffelt criterion. Secondly, we obtain strong bounds on the dipole coupling strength reaching as low as 10 − 11 GeV − 1 from energy deposition, i.e., constrained from the observation of explosion energies of underluminous Type IIP supernovae. In addition, we find that sterile neutrino production from Primakoff upscattering off of a proton dominates over scattering off of an electron for low sterile neutrino masses. Published by the American Physical Society 2024

Astronomy & Astrophysics↗