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DOE OSTI2018

Polar Kerr Effect from Time-Reversal Symmetry Breaking in the Heavy-Fermion Superconductor PrOs 4 Sb 12

Here, we present polar Kerr effect measurements of the filled skutterudite superconductor PrOs 4 Sb 12 . Simultaneous ac susceptibility measurements allow us to observe the superconducting transition under the influence of heating from the optical beam. A nonzero Kerr angle θ K develops below the superconducting transition, saturating at ~300 nrad at low temperatures. This result is repeated across several measurements of multiple samples. By extrapolating the measured θ K (T) to zero optical power, we are able to show that the Kerr angle onset temperature in one set of measurements is consistent with the transition to the B phase at T C2 . We discuss the possible explanations for this result and its impact on the understanding of multiphase and inhomogeneous superconductivity in PrOs 4 Sb 12 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

Polarization of Λ ( Λ ¯ ) Hyperons along the Beam Direction in Au + Au Collisions at s N N = 200 GeV

The Λ ($\bar{Λ}$) hyperon polarization along the beam direction has been measured in Au+Au collisions at $\sqrt{s_{NN}}$=200 GeV, for the first time in heavy-ion collisions. The polarization dependence on the hyperons' emission angle relative to the elliptic flow plane exhibits a second harmonic sine modulation, indicating a quadrupole pattern of the vorticity component along the beam direction, expected due to elliptic flow. The polarization is found to increase in more peripheral collisions, and shows no strong transverse momentum ($p_{T}$) dependence at $p_{T}$ greater than 1 GeV/c. Furthermore, the magnitude of the signal is about 5 times smaller than those predicted by hydrodynamic and multiphase transport models; the observed phase of the emission angle dependence is also opposite to these model predictions. In contrast, the kinematic vorticity calculations in the blast-wave model tuned to reproduce particle spectra, elliptic flow, and the azimuthal dependence of the Gaussian source radii measured with the Hanbury Brown-Twiss intensity interferometry technique reproduce well the modulation phase measured in the data and capture the centrality and transverse momentum dependence of the polarization signal.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Ultimate Strength of Metals

We present a theoretical model that predicts the peak strength of polycrystalline metals based on the activation energy (or stress) required to cause deformation via amorphization. Building on extensive earlier work, this model is based purely on materials properties, requires no adjustable parameters, and is shown to accurately predict the strength of four exemplar metals (fcc, bcc, and hcp, and an alloy). This framework reveals new routes for design of more complex high-strength materials systems, such as compositionally complex alloys, multiphase systems, nonmetals, and composite structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Flow-Driven Branching in a Frangible Porous Medium

Channel formation and branching is widely seen in physical systems where movement of fluid through a porous structure causes the spatiotemporal evolution of the medium. We provide a simple theoretical framework that embodies this feedback mechanism in a multiphase model for flow through a frangible porous medium with a dynamic permeability. Numerical simulations of the model show the emergence of branched networks whose topology is determined by the geometry of external flow forcing. Furthermore, this allows us to delineate the conditions under which splitting and/or coalescing branched network formation is favored, with potential implications for both understanding and controlling branching in soft frangible media.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Experimentally Driven Automated Machine-Learned Interatomic Potential for a Refractory Oxide

Understanding the structure and properties of refractory oxides is critical for high temperature applications. In this work, a combined experimental and simulation approach uses an automated closed loop via an active learner, which is initialized by x-ray and neutron diffraction measurements, and sequentially improves a machine-learning model until the experimentally predetermined phase space is covered. Furthermore, a multiphase potential is generated for a canonical example of the archetypal refractory oxide, HfO 2 , by drawing a minimum number of training configurations from room temperature to the liquid state at similar to 2900 degrees C. The method significantly reduces model development time and human effort.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Global Polarization of Ξ and Ω Hyperons in Au + Au Collisions at s N N = 200 GeV

Global polarization of Ξ and Ω hyperons has been measured for the first time in Au+Au collisions at $\sqrt{s_{NN}}$=200 GeV. The measurements of the $Ξ^{-}$ and $\overline{Ξ}^{+}$ hyperon polarization have been performed by two independent methods, via analysis of the angular distribution of the daughter particles in the parity violating weak decay Ξ→Λ+π, as well as by measuring the polarization of the daughter Λ hyperon, polarized via polarization transfer from its parent. The polarization, obtained by combining the results from the two methods and averaged over $Ξ^{-}$ and $\overline{Ξ}^{+}$, is measured to be $\langle{P_{Ξ}}\rangle$=0.47±0.10(stat)±0.23(syst)% for the collision centrality 20%-80%. The $\langle{P_{Ξ}}\rangle$ is found to be slightly larger than the inclusive Λ polarization and in reasonable agreement with a multiphase transport model. The $\langle{P_{Ξ}}\rangle$ is found to follow the centrality dependence of the vorticity predicted in the model, increasing toward more peripheral collisions. Finally, the global polarization of Ω, $\langle{P_{Ω}}\rangle$=1.11±0.87(stat)±1.97(syst)% was obtained by measuring the polarization of daughter Λ in the decay Ω→Λ+K, assuming the polarization transfer factor $C_{ΩΛ}=1$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Spectroscopic Evidence of Kondo-Induced Quasiquartet in CeRh 2 As 2

CeRh 2 As 2 is a new multiphase superconductor with strong suggestions for an additional itinerant multipolar ordered phase. The modeling of the low-temperature properties of this heavy-fermion compound requires a quartet Ce 3 + crystal-field ground state. Here, we provide the evidence for the formation of such a quartet state using x-ray spectroscopy. Core-level photoelectron and x-ray absorption spectroscopy confirm the presence of Kondo hybridization in CeRh 2 As 2 . The temperature dependence of the linear dichroism unambiguously reveals the impact of Kondo physics for coupling the Kramer’s doublets into an effective quasiquartet. Nonresonant inelastic x-ray scattering data find that the | Γ 7 − ⟩ state with its lobes along the 110 direction of the tetragonal structure ( x y orientation) contributes most to the multiorbital ground state of CeRh 2 As 2 . Published by the American Physical Society 2024

Christovam, Denise S. (ORCID:0000000250698107)↗

DOE OSTI2024

Anomalous proximitized transport in metal/quantum magnet heterostructure Bi 2 Ir 2 O 7 /Yb 2 Ti 2 O 7

Fluctuations of quantum spins play a crucial role in the emergence of exotic magnetic phases and excitations. The lack of the charge degree of freedom in insulating quantum magnets, however, precludes such fluctuations from mediating electronic transport. Here, we show that the quantum fluctuations of a localized frustrated magnet induce strong proximitized charge transport of the conduction electrons in a synthetic heterostructure comprising an epitaxial Bi 2 Ir 2 O 7 ultrathin film on a single crystal of Yb 2 Ti 2 O 7 . The proximity effects are evidenced by the scaling behavior of the Bi 2 Ir 2 O 7 resistance in correspondence with the dynamic scaling of the dynamic spincorrelation function of Yb 2 Ti 2 O 7 , which is a result of quantum fluctuations near a multiphase quantum critical point. The proximitized transport in Bi 2 Ir 2 O 7 can be effectively tuned by a magnetic field through suppressing the quantum spin fluctuations (QSFs) as well as inducing transitions via magnetic anisotropy in Yb 2 Ti 2 O 7 . In this study, we establish a pathway for harnessing QSFs in magnetic insulators with electric transport, offering exciting prospects for potential applications in the realm of quantum spintronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Vanishing dynamic strength measured in a transient high-pressure phase of tin

This work reports two independent experimental estimations of the dynamic strength of the body-centered tetragonal (bct) 𝛾 phase of tin, which occurs at pressures above about 9 GPa and transforms promptly back to the ambient 𝛽 phase upon pressure release. Measuring strength in such a transient high-pressure phase is challenging. One measurement used free-surface Richtmyer-Meshkov instabilities generated with gas gun impact. Another set of measurements used ramp-release loading in a pulsed-power facility. Strength estimations came from comparison to simulations using a comprehensive multiphase modeling framework that includes equation of state, shear moduli, and strength separately for each phase, and treats mixed-phase regions. Both experimental methods found the 𝛾-phase strength to be very low, within experimental uncertainty of zero. The existing literature on other materials, by contrast, almost universally reports higher strength in transient high-pressure phases compared with ambient phases. Recent Molecular-Dynamics simulations on tin in the literature showed almost zero deviatoric strength during a deformation-induced bct → bct transformation in which one of the 𝛾-phase 𝑎 axes “flips” to the 𝑐 axis. This reorientation currently provides the most plausible explanation for the low observed strength in 𝛾-phase tin.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Concurrent determination of nanocrystal shape and amorphous phases in complex materials by diffraction scattering computed tomography

Advanced functional materials often contain multiple phases which are (nano)crystalline and/or amorphous. The spatial distribution of these phases and their properties, including nanocrystallite size and shape, often drives material function yet is difficult to obtain with current experimental techniques. This article describes the use of diffraction scattering computed tomography, which maps wide-angle scattering information onto sample space, to address this challenge. The wide-angle scattering signal contains information on both (nano)crystalline and amorphous phases. Rietveld refinement of reconstructed diffraction patterns is employed to determine anisotropic nanocrystal shapes. The background signal from refinements is used to identify contributing amorphous phases through multivariate curve resolution. Thus it is demonstrated that reciprocal space analysis in combination with diffraction scattering computed tomography is a very powerful tool for the complete analysis of complex multiphase materials such as energy devices.

Birkbak, Mie Elholm↗

DOE OSTI2018

High stereographic resolution texture and residual stress evaluation using time-of-flight neutron diffraction

Neutron diffraction texture measurements provide bulk averaged textures with excellent grain orientation statistics, even for large-grained materials, owing to the probed volume being of the order of 1 cm 3 . Furthermore, crystallographic parameters and other valuable microstructure information such as phase fraction, coherent crystallite size, root-mean-square microstrain, macroscopic or intergranular strain and stress, etc. can be derived from neutron diffractograms. A procedure for combined high stereographic resolution texture and residual stress evaluation was established on the pulsed-neutron-source-based engineering materials diffractometer TAKUMI at the Materials and Life Science Experimental Facility of the Japan Proton Accelerator Research Center, through division of the neutron detector panel regions. Pole figure evaluation of a limestone standard sample with a well known texture suggested that the precision obtained for texture measurement is comparable to that of the established neutron beamlines utilized for texture measurement, such as the HIPPO diffractometer at the Los Alamos Neutron Science Center (New Mexico, USA) and the D20 angle-dispersive neutron diffractometer at the Institut Laue–Langevin (Grenoble, France). A high-strength martensite–austenite multilayered steel was employed for further verification of the reliability of simultaneous Rietveld analysis of multiphase textures and macro stress tensors. By using a texture-weighted geometric mean micromechanical (BulkPathGEO) model, a macro stress tensor analysis with a plane stress assumption showed a rolling direction–transverse direction (RD–TD) in-plane compressive stress (about –330 MPa) in the martensite layers and an RD–TD in-plane tensile stress (about 320 MPa) in the austenite layers. The phase stress partitioning was ascribed mainly to the additive effect of the volume expansion during martensite transformation and the linear contraction misfit between austenite layers and newly transformed martensite layers during the water quenching process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Automated pipeline processing X-ray diffraction data from dynamic compression experiments on the Extreme Conditions Beamline of PETRA III

Presented and discussed here is the implementation of a software solution that provides prompt X-ray diffraction data analysis during fast dynamic compression experiments conducted within the dynamic diamond anvil cell technique. It includes efficient data collection, streaming of data and metadata to a high-performance cluster (HPC), fast azimuthal data integration on the cluster, and tools for controlling the data processing steps and visualizing the data using the DIOPTAS software package. This data processing pipeline is invaluable for a great number of studies. The potential of the pipeline is illustrated with two examples of data collected on ammonia–water mixtures and multiphase mineral assemblies under high pressure. The pipeline is designed to be generic in nature and could be readily adapted to provide rapid feedback for many other X-ray diffraction techniques, e.g. large-volume press studies, in situ stress/strain studies, phase transformation studies, chemical reactions studied with high-resolution diffraction etc.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Three-dimensional nanostructure determination from a large diffraction data set recorded using scanning electron nanodiffraction

A diffraction-based technique is developed for the determination of three-dimensional nanostructures. The technique employs high-resolution and low-dose scanning electron nanodiffraction (SEND) to acquire three-dimensional diffraction patterns, with the help of a special sample holder for large-angle rotation. Grains are identified in three-dimensional space based on crystal orientation and on reconstructed dark-field images from the recorded diffraction patterns. Application to a nanocrystalline TiN thin film shows that the three-dimensional morphology of columnar TiN grains of tens of nanometres in diameter can be reconstructed using an algebraic iterative algorithm under specified prior conditions, together with their crystallographic orientations. The principles can be extended to multiphase nanocrystalline materials as well. Thus, the tomographic SEND technique provides an effective and adaptive way of determining three-dimensional nanostructures.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Data-driven approach for synchrotron X-ray Laue microdiffraction scan analysis

A novel data-driven approach is proposed for analyzing synchrotron Laue X-ray microdiffraction scans based on machine learning algorithms. The basic architecture and major components of the method are formulated mathematically. It is demonstrated through typical examples including polycrystalline BaTiO 3 , multiphase transforming alloys and finely twinned martensite. The computational pipeline is implemented for beamline 12.3.2 at the Advanced Light Source, Lawrence Berkeley National Laboratory. The conventional analytical pathway for X-ray diffraction scans is based on a slow pattern-by-pattern crystal indexing process. Here, this work provides a new way for analyzing X-ray diffraction 2D patterns, independent of the indexing process, and motivates further studies of X-ray diffraction patterns from the machine learning perspective for the development of suitable feature extraction, clustering and labeling algorithms.

42 ENGINEERING↗

DOE OSTI2019

Cross-Plane Acquisitions in Electrical Capacitance Volume Tomography

Electrical capacitance tomography (ECT) is a widely used imaging modality to image two-dimensional cross sections of multiphase flows. Recent developments in electrical capacitance volume tomography (ECVT) have made it possible to directly obtain volumetric images from measured data. An ECVT is instrumental for obtaining accurate phase hold up information and velocity information that are needed for the optimization of certain flow processes. However, compared to ECT, the high correlation between the measurements in ECVT exacerbates the ill-conditioning of the associated image reconstruction problem. Previous studies have suggested that neglecting mutual capacitance data between the ECVT electrodes located at cross-planes that are well separated along the sensor axis can be done without significantly affecting the reconstructed image. In addition, this may help constrain the ill-conditioning of the reconstruction problem. Here, we examine in detail and quantify the effect of reduced cross-plane acquisition strategies for optimizing the image reconstruction and constraining the ill-conditioning of typical ECVT settings.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2015

Researchers Mine Information from Next-Generation Subsurface Flow Simulations

A research team based at Virginia Tech University leveraged computing resources at the US Department of Energy's (DOE's) Oak Ridge National Laboratory to explore subsurface multiphase flow phenomena that can't be experimentally observed. Using the Cray XK7 Titan supercomputer at the Oak Ridge Leadership Computing Facility, the team took Micro-CT images of subsurface geologic systems and created two-phase flow simulations. The team's model development has implications for computational research pertaining to carbon sequestration, oil recovery, and contaminant transport.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Remote Monitoring and Diagnostics of Pitch-Bearing Defects in an MW-Scale Wind Turbine Using Pitch Symmetrical-Component Analysis

Recently, multiple wind turbine failure databases have reviewed that the pitch system is one of the subassemblies with the highest failure rates and largest contributors to the overall downtime. Therefore, there has been an increasing interest to provide remote health monitoring for wind turbine pitch system. While most of the research articles are discussing pitch actuation system (hydraulic or electric actuator) faults only, there is very limited research on pitch-bearing-defect detection. This article provides a remote and hardware-free solution to monitor multiaxis pitch-bearing health condition called pitch symmetrical-component analysis. It leverages readily available low-resolution (100 Hz) electrical measurements, mechanical measurements, and control signals from the existing pitch control platform, and innovatively applies symmetrical-component analysis in multiphase ac system to multiaxis pitch control system and introduces multiaxis pitch-bearing degradation trending curves. This hardware-free solution can be directly applied to the existing wind turbines and successfully give the wind farm operator an early warning before multiaxis pitch bearing fails. It has been proved to be accurate, low cost, and has minimum impacts on turbine normal operation, and has been validated by field data from several North America MW-scale wind farms. This approach turns out to be the first hardware-free (no additional hardware needed) method to remotely monitor and diagnose multiaxis wind turbine pitch-bearing condition.

17 WIND ENERGY↗

DOE OSTI2020

Thermal Overloading Risk Mitigation With a Semi-Analytical Probabilistic Model on Branch Current

A semi-analytical formulation is presented in this paper for the probability computation of branch current in multiphase systems. The developed formula is derived based on the linear power flow model in rectangular coordinates. The system uncertainty injections can be renewable energy resources or loads and are modeled using a Gaussian mixture model (GMM). The developed formula can be used to compute the line current violation probability as well as integrate into optimal power flow problem as chance-constraint relaxation. Here, the proposed formula is first compared with the Matlab embedded numerical integration function to show its performance. Besides, the semi-analytical formula is validated and compared with the Monte Carlo simulation method using the IEEE 123-bus system, EPRI Ckt5, and Ckt7 systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗