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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Mixing bispectrum multipoles under geometric distortions

We derive general expressions for how the Alcock–Paczynski distortions affect the power spectrum and the bispectrum of cosmological fields. We compute explicit formulas for the mixing coefficients of bispectrum multipoles in the linear approximation. The leading-order effect for the bispectrum is the uniform dilation of all three wavevectors. The mixing coefficients depend on the shape of the bispectrum triplet. Our results for the bispectrum multipoles are framed in terms of the ‘natural’ basis of the lengths of three wavevectors but can be easily generalized for other bases and reduction schemes. Our validation tests confirm that the linear approximation is extremely accurate for all power spectrum multipoles. The linear approximation is accurate for the bispectrum monopole but results in sub-per cent level inaccuracies for the bispectrum quadrupole and fails for the bispectrum hexadecapole. Our results can be used to simplify the analysis of the bispectrum from galaxy surveys, especially the measurement of the baryon acoustic oscillation peak position. They can be used to replace numeric schemes with exact analytical formulae.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Redshift-dependent RSD bias from intrinsic alignment with DESI Year 1 spectra

ABSTRACT We estimate the redshift-dependent, anisotropic clustering signal in the Dark Energy Spectroscopic Instrument (DESI) Year 1 Survey created by tidal alignments of Luminous Red Galaxies (LRGs) and a selection-induced galaxy orientation bias. To this end, we measured the correlation between LRG shapes and the tidal field with DESI’s Year 1 redshifts, as traced by LRGs and Emission-Line Galaxies. We also estimate the galaxy orientation bias of LRGs caused by DESI’s aperture-based selection, and find it to increase by a factor of seven between redshifts 0.4−1.1 due to redder, fainter galaxies falling closer to DESI’s imaging selection cuts. These effects combine to dampen measurements of the quadrupole of the correlation function (ξ2) caused by structure growth on scales of 10–80 h−1 Mpc by about 0.15 per cent for low redshifts (0.4 < z < 0.6) and 0.8 per cent for high (0.8 < z < 1.1), a significant fraction of DESI’s error budget. We provide estimates of the ξ2 signal created by intrinsic alignments that can be used to correct this effect, which is necessary to meet DESI’s forecasted precision on measuring the growth rate of structure. While imaging quality varies across DESI’s footprint, we find no significant difference in this effect between imaging regions in the Legacy Imaging Survey.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

CFM-ID 4.0 – a web server for accurate MS-based metabolite identification

The CFM-ID 4.0 web server (https://cfmid.wishartlab.com) is an online tool for predicting, annotating and interpreting tandem mass (MS/MS) spectra of small molecules. It is specifically designed to assist researchers pursuing studies in metabolomics, exposomics and analytical chemistry. More specifically, CFM-ID 4.0 supports the: 1) prediction of electrospray ionization quadrupole time-of-flight tandem mass spectra (ESI-QTOF-MS/MS) for small molecules over multiple collision energies (10 eV, 20 eV, and 40 eV); 2) annotation of ESI-QTOF-MS/MS spectra given the structure of the compound; and 3) identification of a small molecule that generated a given ESI-QTOF-MS/MS spectrum at one or more collision energies. The CFM-ID 4.0 web server makes use of a substantially improved MS fragmentation algorithm, a much larger database of experimental and in silico predicted MS/MS spectra and improved scoring methods to offer more accurate MS/MS spectral prediction and MS/MS-based compound identification. Compared to earlier versions of CFM-ID, this new version has an MS/MS spectral prediction performance that is ~22% better and a compound identification accuracy that is ~35% better on a standard (CASMI 2016) testing dataset. CFM-ID 4.0 also features a neutral loss function that allows users to identify similar or substituent compounds where no match can be found using CFM-ID’s regular MS/MS-to-compound identification utility. Finally, the CFM-ID 4.0 web server now offers a much more refined user interface that is easier to use, supports molecular formula identification (from MS/MS data), provides more interactively viewable data (including proposed fragment ion structures) and displays MS mirror plots for comparing predicted with observed MS/MS spectra. These improvements should make CFM-ID 4.0 much more useful to the community and should make small molecule identification much easier, faster, and more accurate.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Determination of proton and neutron contributions to the 0$^+_{𝑔⁡𝑠}$ → 2$^+_{1}$ excitations in 42 Si and 44 S using inelastic proton scattering in inverse kinematics and intermediate-energy Coulomb excitation

Here, we have measured the 0$^+_{𝑔⁡𝑠}$ → 2$^+_1$ transition in the neutron-rich 𝑁 = 28 isotope 42 Si using the probes of intermediate-energy Coulomb excitation and inelastic proton scattering in inverse kinematics at the Facility for Rare Isotope Beams with beam particle rates of ≈ 5 particles/s. The results of these two measurements allowed us to determine 𝑀 𝑛 /𝑀 𝑝 , the ratio of the neutron and proton transition matrix elements for the 0$^+_{𝑔⁡𝑠}$ → 2$^+_1$ transition. In addition, we have measured the 0$^+_{𝑔⁡𝑠}$ → 2$^+_1$ transition in the isotone 44 S using inverse kinematics inelastic proton scattering. By comparing the 44 S proton-scattering result with a recent intermediate-energy Coulomb excitation result on the same transition, we were able to determine 𝑀 𝑛 /𝑀 𝑝 for the 0$^+_{𝑔⁡𝑠}$ → 2$^+_1$ transition in this nucleus as well. This work strengthens the evidence that 42 Si has a stable quadrupole deformation in its ground state and that 44 S does not. Both conclusions are further supported by shell-model calculations carried out with the FSU interaction.

39 ≤ A ≤ 58↗
DOE OSTI2026

Unexpected Rise in Nuclear Collectivity from Short-Range Physics

We discover a surprising relation between the collective motion of nucleons within atomic nuclei, traditionally understood to be driven by long-range correlations, and short-range nucleon-nucleon interactions. Specifically, we find that quadrupole collectivity in low-lying states of 6 Li and 12 C, calculated with state-of-the-art ab initio techniques, is significantly influenced by two opposing 𝑆-wave contact couplings that subtly alter the surface oscillations of one largely deformed nuclear shape, without changing that shape’s overall contribution within the nucleus. The results offer new insights into the nature of emergent nuclear collectivity and its link to the underlying nucleon-nucleon interaction at short distances.

Ab initio calculations↗
DOE OSTI2025

Competing Electronic Ground States in the Heavy-Fermion Superconductor CeRh 2 As 2

CeRh 2 ⁢As 2 is rare among superconductors, in that the magnetic field tunes it between two distinct superconducting phases. Combined with a lack of local inversion symmetry and an upper critical field exceeding the Pauli paramagnetic limit, this excitingly suggests triplet multicomponent superconductivity. Preceding the superconducting onset, 𝑓-electron correlations cause long-range order, attributed both to local antiferromagnetism and itinerant (quadrupole) density waves. A magnetic field provides a significant perturbation of the 𝑓 electrons and may reveal the nature of the many-body correlations. Therefore, we report comprehensive magnetization and magnetotransport studies on microstructured devices in fields of up to 73 T. Applied along the 𝑐 axis, the field causes a low-temperature change of majority (hole) carrier density at 𝜇 0⁢ 𝐻 ≈ 2⁢4 T. By contrast, in-plane fields produce a cascade of phase transitions; the field-induced in-plane conductivity anisotropy and lack of accompanying magnetic features, plus the closed-dome nature of the overall phase boundary is consistent with a hierarchy of field-induced density-wave states.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Direct observation of ion micromotion in a linear Paul trap

In this paper, the first direct observation of micromotion for multiple ions in a laser-cooled trapped ion crystal is discussed along with a novel measurement technique for micromotion amplitude. Micromotion is directly observed using a time-resolving, single-photon sensitive camera that provides both fluorescence and position data for each ion on the nanosecond time scale. Micromotion amplitude and phase for each ion in the crystal is measured which allows this method to be sensitive to tilts and shifts of the ion chain from the null of the radiofrequency quadrupole potential in the linear trap. Spatial resolution makes this micromotion detection technique suitable for complex ion configurations, including two-dimensional geometries. It does not require any additional equipment or laser beams, and the modulation of the cooling lasers or trap voltages is not necessary for detection, as it is in other methods.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Nuclear deformation as a source of the nonlinearity of the King plot in the Yb + ion

We perform atomic relativistic many-body calculations of the field isotope shifts and calculations of corresponding nuclear parameters for all stable even-even isotopes of the Yb + ion. We demonstrate that if we take nuclear parameters of the Yb isotopes from a range of the state of the art nuclear models, which all predict strong quadrupole nuclear deformation, and then calculate nonlinearity of the King plot caused by the difference in the deformation in different isotopes, the result is consistent with the nonlinearity observed in the experiment. In conclusion, the changes of nuclear rms radius between isotopes extracted from experiment are consistent with those obtained in the nuclear calculations.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Scissors modes of a Bose-Einstein condensate in a synthetic magnetic field

We study the scissors modes of a harmonically trapped Bose-Einstein condensate under the influence of a synthetic magnetic field, which induces rigid rotational components in the velocity field. Our investigation reveals that the scissors mode, excited in the plane perpendicular to the synthetic magnetic field, becomes coupled to the quadrupole modes of the condensate, giving rise to typical beating effects. Moreover, the two scissors modes excited in the vertical planes are also coupled together by the synthetic magnetic field, resulting in intriguing gyroscope dynamics. Our analytical results, derived from a spinor hydrodynamic theory, are further validated through numerical simulations of the three-dimensional Gross-Pitaevskii equation. These predictions for the condensates subject to a synthetic magnetic field are experimentally accessible with current cold-atom setups and hold promise for potential applications in quantum sensing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Parametrization, characterization, and optimization of double-bend achromat cell

We continue the study of single-particle dynamics in a more realistic cell, namely the double-bend achromat with three families of quadrupoles. The cell is parameterized with the optical parameters including the phase advances and the horizontal beta functions at its entry and center. At zero chromaticity, we find that the landscape of the dynamic aperture in the tune plane can be captured by a simple formula constructed from the effective Hamiltonian of 4th order. Furthermore, the optimal dynamic aperture can be found by simply minimizing the third-order driving terms with equal weight in the effective Hamiltonian.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Machine learning surrogate for charged particle beam dynamics with space charge based on a recurrent neural network with aleatoric uncertainty

In this work, we develop a machine learning (ML) model with aleatoric uncertainty for the low energy beam transport (LEBT) region of the LANSCE linear accelerator in which we model the transport of a space-charge-dominated 750 keV proton beam through a lattice of 22 quadrupole magnets. Our ML model is developed based on data generated by a Kapchinsky–Vladimirsky (KV) envelope model of beam transport. We show that a recurrent neural network can be used as a dynamical surrogate model for fast prediction of the LEBT beam envelope. Furthermore, we endow the model with the prediction of aleatoric uncertainty and compare three different approaches. We demonstrate that the ML-based uncertainty quantification models are well calibrated and produce good estimates of the regions where the model is less certain about its predictions. This ML framework is a necessary step in the development of a real-time virtual diagnostic tool with uncertainty quantification that can be integrated into more complex downstream tasks (e.g., adaptive control or learning flexible control policies via reinforcement learning) for improved efficiency in beam operations. In future work, we plan to expand on this preliminary study by considering more realistic envelope models that include longitudinal momentum spread and dispersive effects in bending magnets, as well as particle tracking codes with 3D space charge (such as and ). Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

rf chopper for prebunched radioactive ion beams

An rf chopper system is being designed for the ReAccelerator (ReA) linac at the Facility for Rare Isotope Beams at Michigan State University. The 80.5 MHz ReA radio-frequency quadrupole accelerates prebunched 16.1 MHz beams, producing four satellite bunches for every main bunch. The chopper system includes an rf deflector that kicks every bunch vertically to spatially separate main and satellite bunches. A constant magnetic field superimposed with the chopper electric field biases the beam trajectory to ensure the high-intensity bunches do not experience a net deflection and are injected straight to the ReA6 cryomodule or sent for experiments. The kicked bunches are low in intensity and will be sent to a beam dump, resulting in a clean 16.1 MHz beam structure, which allows for a reliable time-of-flight separation of the isotopes. Published by the American Physical Society 2024

Physics↗
DOE OSTI2024

Four-dimensional phase-space reconstruction of flat and magnetized beams using neural networks and differentiable simulations

Beams with cross-plane coupling or extreme asymmetries between the two transverse phase spaces are often encountered in particle accelerators. Flat beams with large transverse-emittance ratios are critical for future linear colliders. Similarly, magnetized beams with significant cross-plane coupling are expected to enhance the performance of electron cooling in hadron beams. Preparing these beams requires precise control and characterization of the four-dimensional transverse phase space. In this study, we employ generative phase-space reconstruction techniques to rapidly characterize magnetized and flat-beam phase-space distributions using a conventional quadrupole-scan method. The reconstruction technique is experimentally demonstrated on an electron beam produced at the Argonne Wakefield Accelerator and successfully benchmarked against conventional diagnostics techniques. Specifically, we show that predicted beam parameters from the reconstructed phase-space distributions (e.g., as magnetization and flat-beam emittances) are in excellent agreement with those measured from the conventional diagnostic methods. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Collimator challenges at SuperKEKB and their countermeasures using nonlinear collimator

In SuperKEKB, movable collimators reduce the beam background noise in the Belle II particle detector and protect crucial machine components, such as final focusing superconducting quadrupole magnets (QCS), from abnormal beam losses. The challenges related to the collimator, which were not properly considered at the time of SuperKEKB design, have surfaced through experience with its operation. In this paper, we report the collimator operation strategy in SuperKEKB. In addition, a significant challenge of beam collimation due to the future increase in the beam background is highlighted. We also discuss another issue caused by unexpected and sudden beam losses in the machine that damage collimators, leading to weaker beam collimation performance and an increase in transverse impedance. Furthermore, we introduce a novel collimation approach called the nonlinear collimator (NLC) to address these challenges. We detail the concept of NLC and evaluate their effectiveness by assessing the collimator impedance, beam background reduction, and impact on the dynamic aperture. The possibility of using NLCs as absorber collimators to counteract events that damage the collimator is also shown to be helpful.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Buckled honeycomb antimony: Higher order topological insulator and its relation to the Kekulé lattice

Higher order topological tnsulators are d-spatial dimensional systems featuring topologically protected gapless states at their (d-n)-dimensional boundaries. With the help of ab initio calculations and tight-binding models along with symmetry considerations, we show that monolayer buckled honeycomb structures of group-V elements (Sb, As), which have already been synthesized, belong in this category and have a spinless charge fractionalization of $\frac{e}{2}$ at the corner states as well as weak topological edge states, protected by the S 6 symmetry operation, which classify this system as a quadrupole topological insulator. The robustness of these edge and corner states to perturbations is explicitly demonstrated.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Vector potential and surface magnetic field in magnetoelectric antiferromagnetic materials

A general formula for the average vector potential of bulk periodic systems is proposed and shown to set the boundary conditions at magnetic interfaces. Here, for antiferromagnetic materials, the study reveals a unique relation between the macroscopic potential and the orientation-dependent magnetic quadrupole as a result of the different crystalline and magnetic symmetries. In particular, at surfaces and interfaces of a truncated bulk without inversion and time-reversal symmetries, the average vector potential exhibits a discontinuity which results in an interfacial magnetic field. In general, however, due to the surface and interface electronic and atomic relaxations, additional magnetization may result. For the experimentally observed magnetoelectric antiferromagnets, in particular, our symmetry analysis suggests that the relaxation effects could well be a system response to the presence of such a potential discontinuity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Spin-lattice model for cubic crystals

In this work, we present a methodology based on the Néel model to build a classical spin-lattice Hamiltonian for cubic crystals capable of describing magnetic properties induced by the spin-orbit coupling like magnetocrystalline anisotropy and anisotropic magnetostriction, as well as exchange magnetostriction. Taking advantage of the analytical solutions of the Néel model, we derive theoretical expressions for the parametrization of the exchange integrals and Néel dipole and quadrupole terms that link them to the magnetic properties of the material. This approach allows us to build accurate spin-lattice models with the desired magnetoelastic properties. We also explore a possible way to model the volume dependence of magnetic moment based on the Landau energy. This feature allows us to consider the effects of hydrostatic pressure on the saturation magnetization. We apply this method to develop a spin-lattice model for BCC Fe and FCC Ni, and we show that it accurately reproduces the experimental elastic tensor, magnetocrystalline anisotropy under pressure, anisotropic magnetostrictive coefficients, volume magnetostriction, and saturation magnetization under pressure at zero temperature. This work could constitute a step towards large-scale modeling of magnetoelastic phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Revealing the vacuum level in an infinite solid by real-space potential unfolding

Although real materials are finite in size, electronic structure theory is built on the assumption of infinitely large solids, which led to a longstanding controversy: where is the vacuum level? Furthermore, we introduce an analytic real-space potential-unfolding approach to uncover the vacuum level in infinitely large solids. First-principles calculations show that, in the absence of a physical surface, the bulk band structure, often measured with respect to an average bulk potential, is offset by a hereto unknown and orientation-dependent bulk quadrupole with respect to the vacuum level. By identifying intrinsic contributions of a bulk solid to its surface and interface properties, our theory eliminates the ambiguities surrounding the physical origin of the band alignment between matters.

36 MATERIALS SCIENCE↗