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At least 199 records · Page 11

Origin of spin-driven ferroelectricity and effect of external pressure on the complex magnetism of the 6⁢ H perovskite Ba 3 ⁢Ho⁢Ru 2⁢ O 9

The compound Ba 3 HoRu 2 O 9 magnetically orders at 50 K (T N1 ), followed by another complex magnetic ordering at 10.2 K (T N2 ). The second magnetic phase transition was characterized by the coexistence of two competing magnetic ground states associated with two different magnetic wave vectors (K 1 = 0.5 0 0 and K 2 = 0.25 0.25 0). The multiferroicity and magnetoelectric coupling were predicted below T N2 in these 4d-based materials. Here, in this work, we have discussed the origin of spin-driven ferroelectricity, which is not known yet, and the nature of magnetoelectric domains. We have investigated the compound through time-of-flight neutron diffraction, synchrotron x-ray diffraction (XRD), ac susceptibility, frequency-dependent complex dielectric spectroscopy, and dc magnetization under external pressure. We have demonstrated that the noncollinear structure involving two different magnetic ions, Ru (4d) and Ho (4f), breaks the spatial inversion symmetry via inverse Dzyaloshinskii-Moriya (DM) interaction through strong 4d-4f magnetic correlation, which shifts the oxygen atoms and results in nonzero polarization. Such an observation of inverse DM interaction from two different magnetic ions which cause ferroelectricity is rarely observed. The stronger spin-orbit coupling of 4d orbital might play a major role in creating DM interaction of noncollinear spins. We have systematically studied the spin and dipolar dynamics, which exhibit intriguing behavior with shorter coherence lengths of second magnetic phase associated with the k 2 wave vector. The results manifest the development of finite-size magnetoelectric domains instead of true long-range ordering, which justifies the experimentally obtained low value of ferroelectric polarization. The lattice parameters and volume show a sharp anomaly at T N2 obtained by analyzing the temperature-dependence XRD, which is consistent with the ferroelectric transition, predicting a noncentrosymmetric space group, $P\bar{6}2c$, for this compound. Furthermore, we have investigated the effect of external pressure on this complex magnetism. The result reveals an enhancement of ordering temperature by the application of external pressure (~1.6 K/GPa). The external pressure might favor stabilizing the magnetic ground state associated with second magnetic phase. Our study shows an unconventional mechanism of spin-driven ferroelectricity involving inverse DM interaction between Ru (4d) and Ho (4f) magnetic ions due to strong 4d-4f cross coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Probing compactified extra dimensions with gravitational waves

We study the effect of compact extra dimensions on the gravitational wave luminosity and waveform. We consider a toy model, with a compactified fifth dimension, and matter confined on a brane. We work in the context of five-dimensional (5D) general relativity, though we do make connections with the corresponding Kaluza-Klein effective 4D theory. We show that the luminosity of gravitational waves emitted in 5D gravity by a binary with the same characteristics (same masses and separation distance) as a 4D binary is 20.8% less relative to the 4D case, to leading post-Newtonian order. The phase of the gravitational waveform differs by 26% relative to the 4D case, to leading post-Newtonian order. Such a correction arises mainly due to the coupling between matter and dilaton field in the effective 4D picture and agrees with previous calculations when we set black holes’ scalar charges to be those computed from the Kaluza-Klein reduction. The above corrections to the waveform and the luminosity are inconsistent with the gravitational-wave and binary pulsar observations, and they thus effectively rule out the possibility of such a simple compactified higher dimensions scenario. We also comment on how our results change if there are several compactified extra dimensions and show that the discrepancy with 4D general relativity only increases.

79 ASTRONOMY AND ASTROPHYSICS↗

Monte Carlo Simulation and Reconstruction: Assessment of Myocardial Perfusion Imaging of Tracer Dynamics With Cardiac Motion Due to Deformation and Respiration Using Gamma Camera With Continuous Acquisition

Purpose: Myocardial perfusion imaging (MPI) with single photon emission computed tomography (SPECT) is routinely used for stress testing in nuclear medicine. Recently, our group extended its potential going from 3D visual qualitative image analysis to 4D spatiotemporal reconstruction of dynamically acquired data to capture the time variation of the radiotracer concentration and the estimated myocardial blood flow (MBF) and coronary flow reserve (CFR). However, the quality of reconstructed image is compromised due to cardiac deformation and respiration. The work presented here develops an algorithm that reconstructs the dynamic sequence of separate respiratory and cardiac phases and evaluates the algorithm with data simulated with a Monte Carlo simulation for the continuous image acquisition and processing with a slowly rotating SPECT camera. Methods: A clinically realistic Monte Carlo (MC) simulation is developed using the 4D Extended Cardiac Torso (XCAT) digital phantom with respiratory and cardiac motion to model continuous data acquisition of dynamic cardiac SPECT with slowly rotating gamma cameras by incorporating deformation and displacement of the myocardium due to cardiac and respiratory motion. We extended our previously developed 4D maximum-likelihood expectation-maximization (MLEM) reconstruction algorithm for a data set binned from a continuous list mode (LM) simulation with cardiac and respiratory information. Our spatiotemporal image reconstruction uses splines to explicitly model the temporal change of the tracer for each cardiac and respiratory gate that delineates the myocardial spatial position as the tracer washes in and out. Unlike in a fully list-mode data acquisition and reconstruction the accumulated photons are binned over a specific but very short time interval corresponding to each cardiac and respiratory gate. Reconstruction results are presented showing the dynamics of the tracer in the myocardium as it continuously deforms. These results are then compared with the conventional 4D spatiotemporal reconstruction method that models only the temporal changes of the tracer activity. Mean Stabilized Activity (MSA), signal to noise ratio (SNR) and Bias for the myocardium activities for three different target-to-background ratios (TBRs) are evaluated. Dynamic quantitative indices such as wash-in (K1) and wash-out (k2) rates at each gate were also estimated. Results: The MSA and SNR are higher with higher TBRs while biases were improved with higher TBRs to less than 10%. The correlation between exhalation-inhalation sequence with the ground truth during respiratory cycle was excellent. Our reconstruction method showed better resolved myocardial walls during diastole to systole as compared to the ungated 4D image. Estimated values of K1 and k2 were also consistent with the ground truth. Conclusion: The continuous image acquisition for dynamic scan using conventional two-head gamma cameras can provide valuable information for MPI. Our study demonstrated the viability of using a continuous image acquisition method on a widely used clinical two-head SPECT system. Our reconstruction method showed better resolved myocardial walls during diastole to systole as compared to the ungated 4D image. Precise implementation of reconstruction algorithms, better segmentation techniques by generating images of different tissue types and background activity would improve the feasibility of the method in real clinical environment.

60 APPLIED LIFE SCIENCES↗

Seismic monitoring of a small CO 2 injection using a multi-well DAS array: Operations and initial results of Stage 3 of the CO 2 CRC Otway project

Active time-lapse seismic is widely employed for monitoring CO 2 geosequestration due to its ability to track the distribution of fluids in space and time. However, standard 4D seismic monitoring suffers from several challenges, including high cost, disruption to other land uses, and, consequently, relatively large intervals between monitor surveys. Some of these challenges can be mitigated using permanently installed sources and receivers. Such an approach was tested at the CO 2 CRC Otway site by continuous offset VSP monitoring of 15,000 t of supercritical CO 2 injected into an aquifer 1,500 m deep with nine permanent seismic sources (surface orbital vibrators or SOVs) and five downhole fibre-optic receivers. This continuous monitoring is complemented by multi-well 4D VSP using a mobile vibroseis source and the same DAS receivers, which included one baseline and two monitor surveys after injection of 4,000 and 12,000 t of CO 2 . The continuous DAS-SOV monitoring detected an abrupt increase of travel times below the injection interval on the second day of injection (after injection of 300 t of CO 2 ) and tracked the growth of the areal CO 2 plume by mapping changes of reflection amplitudes. The plume is also detected by time-lapse changes of reflection amplitudes in multi-well 4D VSPs. The plume images obtained from continuous offset VSP and 4D VSP are broadly consistent with each other but with some differences due to differences in illumination, lateral variations of velocities and seismic anisotropy. Furthermore, these differences also serve as a measure of uncertainty of 4D VSP images.

4D VSP↗

End-to-End Automated Segmentation Framework for Four-Dimensional Scanning Transmission Electron Microscopy Data

Four-dimensional scanning transmission electron microscopy (4D-STEM) is powerful for rapidly characterizing arrays of nanoparticles produced via high-throughput synthesis. However, such 4D-STEM datasets typically contain thousands of nanoparticles, each characterized by thousands of diffraction patterns spatially distributed across the nanoparticle, necessitating efficient and comprehensive analysis. We propose an end-to-end segmentation framework to automatically segment each nanoparticle into regions with distinct composition/orientation of crystal grains, using only the 4D-STEM data. Bragg disk information is extracted in a physics-informed manner from the diffraction patterns at each spatial location and combined with the real space coordinates to form feature vectors. These feature vectors are then used as inputs to a Gaussian mixture model (GMM) to segment the nanoparticle into distinct regions. We also develop two visualization tools based on the GMM outputs to infer the interface transition and the degree of superposition. Our framework comprehensively integrates machine learning tools and physics knowledge, and provides a basis for substantially compressing enormous 4D-STEM datasets, e.g., by replacing the full 4D-STEM dataset for each nanoparticle with only a single set of Bragg disk features for each distinct crystal grain identified in the nanoparticle. In this article, we demonstrate the power of our framework by presenting results for real, complex datasets.

47 OTHER INSTRUMENTATION↗

Four-dimensional emittance measurement at the Spallation Neutron Source

A coasting hadron beam with an elliptical transverse profile, uniform charge density, and small transverse four-dimensional (4D) emittance could improve accelerator performance in several contexts. A phase space painting method to generate such a distribution is being tested in the Spallation Neutron Source (SNS) accumulator ring. A critical component of these efforts is to measure the 4D emittance of the beam during accumulation. The 4D emittance can be reconstructed from measured beam profiles in two ways: in the multi-optics method, the optics between a reconstruction and measurement location are varied; in the fixed-optics method, multiple measurement locations are used without modifying the optics. The fixed-optics method is faster but can lead to large uncertainty in the reconstructed 4D emittance. In this paper, we implement a variant of the multi-optics method using the four available wire-scanners near the SNS target. We also modify the wire-scanner region to reduce the uncertainty of the fixed-optics method. We then demonstrate the usefulness of the fixed-optics method by reconstructing the 4D emittance evolution during accumulation in the SNS ring.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Reconstruction of dynamic scenes based on differences between collected view and synthesized view

A system for generating a 4D representation of a scene in motion given a sinogram collected from the scene while in motion. The system generates, based on scene parameters, an initial 3D representation of the scene indicating linear attenuation coefficients (LACs) of voxels of the scene. The system generates, based on motion parameters, a 4D motion field indicating motion of the scene. The system generates, based on the initial 3D representation and the 4D motion field, a 4D representation of the scene that is a sequence of 3D representations having LACs. The system generates a synthesized sinogram of the scene from the generated 4D representation. The system adjusts the scene parameters and the motion parameters based on differences between the collected sinogram and the synthesized sinogram. The processing is repeated until the differences satisfy a termination criterion.

Kim, Hyojin↗

Investigation of the thermal decomposition of Pu(IV) oxalate: a transmission electron microscopy study

The degradation of the internal structure of plutonium (IV) oxalate during calcination was investigated with Transmission Electron Microscopy (TEM), electron diffraction, Electron Energy-Loss Spectroscopy (EELS), and 4D Scanning TEM (STEM). TEM lift-outs were prepared from samples that had been calcined at 300°C, 450°C, 650°C and 950°C. The resulting phase at all calcination temperatures was identified as PuO 2 with electron diffraction. The grain size range was obtained with high-resolution TEM. In addition, 4D STEM images were analyzed to provide grain size distributions. In the 300°C calcined sample, the grains were <10 nm in diameter, at 650°C, the grains ranged from 10 to 20 nm, and by 950°C, the grains were 95–175 nm across. Using the Kolmogorov-Smirnov (K-S) two sample test, it was shown that morphological measurements obtained from 4D-STEM provided statistically significant distributions to distinguish samples at the different calcination conditions. Using STEM-EELS, carbon was shown to be present in the low temperature calcined samples associated with oxalate but had formed carbon (possibly graphite) deposits in the 950°C calcined sample. This work highlights the new methods of STEM-EELS and 4D-STEM for studying the internal structure of special nuclear materials (SNM).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Strong Ferromagnetic Exchange Coupling and Single-Molecule Magnetism in MoS 4 3– -Bridged Dilanthanide Complexes

We report the synthesis and characterization of the trinuclear 4d-4f compounds [Co(C 5 Me 5 ) 2 ][(C 5 Me 5 ) 2 Ln(μ-S) 2 Mo(μ-S) 2 Ln(C 5 Me 5 ) 2 ], 1-Ln (Ln = Y, Gd, Tb, Dy), containing the highly polarizable MoS 4 3 - bridging unit. UV-Vis-NIR diffuse reflectance spectra and DFT calculations of 1-Ln reveal a low-energy metal-to-metal charge transfer transition assigned to charge transfer from the singly occupied 4d z 2 orbital of Mo V to the empty 5d orbitals of the lanthanides (4d in the case of 1-Y ), mediated by sulfur-based 3p orbitals. Electron paramagnetic resonance spectra collected for 1-Y in a tetrahydrofuran solution show large 89 Y hyperfine coupling constants of A ⊥ = 23 MHz and A || = 26 MHz, indicating the presence of significant yttrium-localized unpaired electron density. Magnetic susceptibility data support similar electron delocalization and ferromagnetic Ln-Mo exchange for 1-Gd , 1-Tb , and 1-Dy . This ferromagnetic exchange gives rise to an S = 15/2 ground state for 1-Gd and one of the largest magnetic exchange constants involving Gd III observed to date, with J Gd-Mo = +16.1(2) cm -1 . Additional characterization of 1-Tb and 1-Dy by ac magnetic susceptibility measurements reveals that both compounds exhibit slow magnetic relaxation. Although a Raman magnetic relaxation process is dominant for both 1-Tb and 1-Dy , an extracted thermal relaxation barrier of U eff = 68 cm -1 for 1-Dy is the largest yet reported for a complex containing a paramagnetic 4d metal center. Furthermore, these results provide a potentially generalizable route to enhanced n d-4f magnetic exchange, revealing opportunities for the design of new n d-4f single-molecule magnets and bulk magnetic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Probing atomic-scale symmetry breaking by rotationally invariant machine learning of multidimensional electron scattering

Abstract The 4D scanning transmission electron microscopy (STEM) method maps the structure and functionality of solids on the atomic scale, yielding information-rich data sets describing the interatomic electric and magnetic fields, structural and electronic order parameters, and other symmetry breaking distortions. A critical bottleneck is the dearth of analytical tools that can reduce complex 4D-STEM data to physically relevant descriptors. We propose an approach for the systematic exploration of 4D-STEM data using rotationally invariant variational autoencoders (rrVAE), which disentangle the general rotation of the object from other latent representations. The implementation of purely rotational rrVAE is discussed as are applications to simulated data for graphene and zincblende structures. The rrVAE analysis of experimental 4D-STEM data of defects in graphene is illustrated and compared to the classical center-of-mass analysis. This approach is universal for probing symmetry-breaking phenomena in complex systems and can be implemented for a broad range of diffraction methods.

36 MATERIALS SCIENCE↗

Laser spectroscopy of metastable palladium at 340 and 363 nm

Here we report measurements of the isotope shift of the mass 104, 105, 106, 108, and 110 stable palladium isotopes for transitions from the metastable state $4d^9(^2D_{5/2})5s$, $^2[5/2]_3 → 4d^9(^2D_{5/2})5p, ^2[7/2]^o_4$ at 340 nm, and $4d^9(^2D_{5/2})5_s, ^2[5/2]_3 → 4d^9(^2D_{5/2})5p, ^2[3/2]^o_2$ at 363 nm. For 105 Pd , we determine the hyperfine structure of both transitions. The measurements were performed by saturation absorption spectroscopy in a custom-built hollow cathode lamp and will serve as a reference for collinear laser spectroscopy of short-lived neutron-rich palladium isotopes. We also report on the observation of a population inversion for the 363-nm transition under certain discharge conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Distributed Stochastic Optimization of a Neural Representation Network for Time-Space Tomography Reconstruction

4D time-space reconstruction of dynamic events or deforming objects using X-ray computed tomography (CT) is an important inverse problem in non-destructive evaluation. Conventional back-projection based reconstruction methods assume that the object remains static for the duration of several tens or hundreds of X-ray projection measurement images (reconstruction of consecutive limited-angle CT scans). However, this is an unrealistic assumption for many in-situ experiments that causes spurious artifacts and inaccurate morphological reconstructions of the object. To solve this problem, we propose to perform a 4D time-space reconstruction using a distributed implicit neural representation (DINR) network that is trained using a novel distributed stochastic training algorithm. Our DINR network learns to reconstruct the object at its output by iterative optimization of its network parameters such that the measured projection images best match the output of the CT forward measurement model. Here, we use a forward measurement model that is a function of the DINR outputs at a sparsely sampled set of continuous valued 4D object coordinates. Unlike previous neural representation architectures that forward and back propagate through dense voxel grids that sample the object's entire time-space coordinates, we only propagate through the DINR at a small subset of object coordinates in each iteration resulting in an order-of-magnitude reduction in memory and compute for training. DINR leverages distributed computation across several compute nodes and GPUs to produce high-fidelity 4D time-space reconstructions. We use both simulated parallel-beam and experimental cone-beam X-ray CT datasets to demonstrate the superior performance of our approach.

36 MATERIALS SCIENCE↗

Selecting 1D projections for 2D tomography reconstruction

Previous works on reconstructing the 4D phase space using tomography require optimal selection of projection views to achieve accurate reconstruction. In 2D reconstruction, the process is straightforward, as an object can be evenly sampled by dividing the angles evenly. However, extending this concept from 2D to 4D is not intuitive. This work demonstrates that quaternions can be used to more effectively describe views in 4D and introduces the Fibonacci Flower algorithm and repulsive force algorithm to evenly space views in 4D space in order to achieve higher reconstruction accuracy.

Accelerator Physics↗

Cepstral scanning transmission electron microscopy imaging of severe lattice distortions

The development of four-dimensional (4D) scanning transmission electron microscopy (STEM) using fast detectors has opened-up new avenues for addressing some of longstanding challenges in electron imaging. One of these challenges is how to image severely distorted crystal lattices, such as at a dislocation core. Here we develop a new 4D-STEM technique, called Cepstral STEM, for imaging disordered crystals using electron diffuse scattering. In contrast to analysis based on Bragg diffraction, which measures the average and periodic scattering potential, electron diffuse scattering can detect fluctuations caused by crystal disorder. Local fluctuations of diffuse scattering are captured by scanning electron nanodiffraction (SEND) using a coherent probe. The harmonic signals in electron diffuse scattering are detected through Cepstral analysis and used for imaging. By integrating Cepstral analysis with 4D-STEM, we demonstrate that information about the distortive part of electron scattering potential can be separated and imaged at nm spatial resolution. Here, we apply the technique to the analysis of a dislocation core in SiGe and lattice distortions in a high entropy alloy.

36 MATERIALS SCIENCE↗

py4DSTEM: A Software Package for Four-Dimensional Scanning Transmission Electron Microscopy Data Analysis

Scanning transmission electron microscopy (STEM) allows for imaging, diffraction, and spectroscopy of materials on length scales ranging from microns to atoms. By using a high-speed, direct electron detector, it is now possible to record a full two-dimensional (2D) image of the diffracted electron beam at each probe position, typically a 2D grid of probe positions. These 4D-STEM datasets are rich in information, including signatures of the local structure, orientation, deformation, electromagnetic fields, and other sample-dependent properties. However, extracting this information requires complex analysis pipelines that include data wrangling, calibration, analysis, and visualization, all while maintaining robustness against imaging distortions and artifacts. In this paper, we present py4DSTEM, an analysis toolkit for measuring material properties from 4D-STEM datasets, written in the Python language and released with an open-source license. We describe the algorithmic steps for dataset calibration and various 4D-STEM property measurements in detail and present results from several experimental datasets. We also implement a simple and universal file format appropriate for electron microscopy data in py4DSTEM, which uses the open-source HDF5 standard. We hope this tool will benefit the research community and help improve the standards for data and computational methods in electron microscopy, and we invite the community to contribute to this ongoing project.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Preparation of Smart Materials by Additive Manufacturing Technologies: A Review

Over the last few decades, advanced manufacturing and additive printing technologies have made incredible inroads into the fields of engineering, transportation, and healthcare. Among additive manufacturing technologies, 3D printing is gradually emerging as a powerful technique owing to a combination of attractive features, such as fast prototyping, fabrication of complex designs/structures, minimization of waste generation, and easy mass customization. Of late, 4D printing has also been initiated, which is the sophisticated version of the 3D printing. It has an extra advantageous feature: retaining shape memory and being able to provide instructions to the printed parts on how to move or adapt under some environmental conditions, such as, water, wind, light, temperature, or other environmental stimuli. This advanced printing utilizes the response of smart manufactured materials, which offer the capability of changing shapes postproduction over application of any forms of energy. The potential application of 4D printing in the biomedical field is huge. Here, the technology could be applied to tissue engineering, medicine, and configuration of smart biomedical devices. Various characteristics of next generation additive printings, namely 3D and 4D printings, and their use in enhancing the manufacturing domain, their development, and some of the applications have been discussed. Special materials with piezoelectric properties and shape-changing characteristics have also been discussed in comparison with conventional material options for additive printing.

36 MATERIALS SCIENCE↗

All-multiplicity one-loop amplitudes in Born-Infeld electrodynamics from generalized unitarity

We initiate a study of non-supersymmetric Born-Infeld electrodynamics in 4d at the quantum level. Explicit all-multiplicity expressions are calculated for the purely rational one-loop amplitudes in the self-dual (+ + … +) and next-to-self-dual (- + … +) helicity sectors. Using a supersymmetric decomposition, d-dimensional unitarity cuts of the integrand factorize into tree-amplitudes in a 4d model of Born-Infeld photons coupled to a massive complex scalar. The two-scalar tree-amplitudes needed to construct the Born-Infeld integrand are computed using two complimentary approaches: (1) as a double-copy of Yang-Mills coupled to a massive adjoint scalar with a dimensionally reduced form of Chiral Perturbation Theory, and (2) by imposing consistency with low-energy theorems under a reduction from 4d to 3d and T-duality. The Born-Infeld integrand is integrated in d = 4 - 2ϵ dimensions at order Ο(ϵ 0 ) using the dimension-shifting formalism. We comment on the implications for electromagnetic duality in quantum Born-Infeld theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The gravitational index of 5d black holes and black strings

The supersymmetric index of 5d black strings and spinning black holes in M-theory is related to that of 4d black holes in type IIA supergravity when both theories are compactified on the same Calabi-Yau threefold. We find the finite-temperature saddles for the 5d gravitational supersymmetric index by uplifting the recently found attractor saddles of the corresponding 4d index. We study uplifts for two types of geometries: 5d black holes and 5d black strings. For 5d black holes, the uplift guarantees that the index of 4d and 5d black holes match. For 5d black strings, the saddle reproduces the microscopic index at leading order in G N , even without the conventional decoupling limit taken in AdS/CFT. In particular, when the temperature is set to be finite in the 5d flat space region, the black string index is computed from an asymptotically flat solution where the AdS throat is absent. Further, as the temperature is lowered and eventually becomes infinitesimally small in the flat space region, the solution admits a novel decoupling limit in which the AdS 3 throat takes the form of a finite-temperature BTZ black hole that is known to compute the index in AdS 3 /CFT 2 . This represents the first step towards understanding holography for supersymmetric observables in flat space, away from the decoupling limit.

AdS-CFT correspondence↗