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DOE OSTI2013

Making use of x-ray optical effects in photoelectron-, Auger electron-, and x-ray emission spectroscopies: Total reflection, standing-wave excitation, and resonant effects

We present a general theoretical methodology and related open-access computer program for carrying out the calculation of photoelectron, Auger electron, and x-ray emission intensities in the presence of several x-ray optical effects, including total reflection at grazing incidence, excitation with standing-waves produced by reflection from synthetic multilayers and at core-level resonance conditions, and the use of variable polarization to produce magnetic circular dichroism. Calculations illustrating all of these effects are presented, including in some cases comparisons to experimental results. Sample types include both semi-infinite flat surfaces and arbitrary multilayer configurations, with interdiffusion/roughness at their interfaces. These x-ray optical effects can significantly alter observed photoelectron, Auger, and x-ray intensities, and in fact lead to several generally useful techniques for enhancing surface and buried-layer sensitivity, including layer-resolved densities of states and depth profiles of element-specific magnetization. The computer program used in this study should thus be useful for a broad range of studies in which x-ray optical effects are involved or are to be exploited in next-generation surface and interface studies of nanoscale systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2014

Bit patterned media optimization at 1 Tdot/in{sup 2} by post-annealing

We report on the fabrication of 1 Tdot/in{sup 2} bit patterned media with high coercivity (H{sub C}) and narrow intrinsic switching field distribution (iSFD) based on nanoimprint from a master pattern formed by e-beam guided block copolymer assembly onto a carbon hard mask and subsequent pattern transfer via etching into a thin CoCrPt perpendicular anisotropy recording layer. We demonstrate that an additional vacuum annealing step after pattern transfer into the CoCrPt layer and after Carbon hard mask removal not only yields recovery from undesired damage of the island edges, but actually transforms the islands into a magnetically more favorable compositional phase with higher H{sub C}, lower iSFD/H{sub C}, and three-fold increased thermal stability. Energy filtered transmission electron microscopy analysis reveals that the diffusion of Cr from the island cores to the periphery of the islands during post-annealing is responsible for the transformation of the magnetic bits into a more stable state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Imaging crystal spectrometer for high-resolution x-ray measurements on electron beam ion traps and tokamaks

Here, we describe a crystal spectrometer implemented on the Livermore electron beam ion traps that employ two spherically bent quartz crystals and a cryogenically cooled back-illuminated charge-coupled device detector to measure x rays with a nominal resolving power of λ/Δλ ≥ 10 000. Its focusing properties allow us to record x rays either with the plane of dispersion perpendicular or parallel to the electron beam and, thus, to preferentially select one of the two linear x-ray polarization components. Moreover, by choice of dispersion plane and focussing conditions, we use the instrument either to image the distribution of the ions within the 2 cm long trap region, or to concentrate x rays of a given energy to a point on the detector, which optimizes the signal-to-noise ratio. We demonstrate the operation and utility of the new instrument by presenting spectra of Mo 34+ , which prepares the instrument for use as a core impurity diagnostic on the NSTX-U spherical torus and other magnetic fusion devices that employ molybdenum as plasma facing components.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Computed Tomography Scanning and Petrophysical Measurements of the Lively Grove #1 Well Core

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the National Energy Technology Laboratory (NETL) in Morgantown, West Virginia were used to characterize core from the Lively Grove #1 Well (API 121892494700), drilled near Marissa, Washington County, Illinois. Core from the well was obtained as part of the Illinois Storage Corridor’s Carbon Storage Assurance Facility Enterprise (CarbonSAFE) project (DE FE0031892). The primary impetus of this work was to capture a detailed digital representation of the core from the Lively Grove #1 Well. The collaboration between the U.S. Department of Energy’s (DOE) NETL and the Illinois State Geological Survey (ISGS) enables other research entities to access information about this potential carbon storage location and Cambro-Ordovician Storage Complex formations of the Illinois Basin. The resultant datasets are presented in this report and can be accessed from NETL’s Energy Data eXchange (EDX) online system. All equipment and techniques used were non-destructive, enabling future examinations and analyses to be performed on these cores. Fractures, discontinuities, and millimeter-scale features were readily detectable with the medical CT scanner-acquired images. Imaging with the NETL medical CT scanner was performed on entire cores. Qualitative analysis of the medical CT images, coupled with X-ray fluorescence (XRF), gamma density, and magnetic susceptibility measurements from the MSCL were useful in identifying zones of interest for potential future analysis. Higher-resolution industrial and micro-CT images were acquired from selected zones along the depth of the core to visualize the structure in higher detail. The ability to quickly identify key areas for more detailed study with higher resolution will save time and resources in future studies. The combination of methods used provides a multi-scale analysis of the core; with the resulting macro- and micro-descriptions relevant to many subsurface energy related examinations traditionally performed at NETL.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Computed Tomography Scanning and Petrophysical Measurements of Eastern Williston Basin Twin Buttes and Hagel Formations

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the U.S. Department of Energy’s (DOE) National Energy Technology Laboratory (NETL) in Morgantown, West Virginia, were used to characterize core from two wells that represent coal resources across North Dakota. These include the MC23080C Well in Mercer County and the 23-B001 Well in Oliver County. The primary impetus of this work was to capture a detailed digital representation of the core from the MC23080C and 23-B001 Wells. The collaboration between the NETL and the Energy and Environment Research Center (EERC) enables other research entities to access information about this potential carbon ore, rare earth, and critical mineral resource plays in the Williston Basin. All equipment and techniques used were non-destructive, enabling future examinations and analyses to be performed on these cores. Fractures, discontinuities, and millimeter-scale features were readily detectable with the medical CT scanner acquired images. Imaging with the NETL medical CT scanner was performed on entire cores. Qualitative analysis of the medical CT images, coupled with X-ray fluorescence (XRF), gamma density, and magnetic susceptibility measurements from the MSCL were useful in identifying zones of interest for potential future analysis. Higher-resolution industrial and micro-CT images were acquired from selected zones along the depth of the core to visualize the structure in higher detail. The ability to quickly identify key areas for more detailed study with higher resolution will save time and resources in future studies. The combination of methods used provides a multi-scale analysis of the core, with the resulting macro- and micro-descriptions relevant to many subsurface energy-related examinations traditionally performed at NETL.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2021

Distributed sensing of electromagnetic components using optical fiber based methods

An OFDR based fiber-optics sensor for distributed real-time temperature rise monitoring of a transformer in operation has been disclosed. The fiber-optic sensor provides an effective solution to monitoring the physical structures of the transformer core, as well as accurately detecting the non-uniform temperature distribution inside the transformer, and thus provides innovative feedback to the transformer design by minimizing the core losses. Additionally, the method may be responsive to the presence of magnetic and electric fields, as well as responsive to various chemical species. The method allows novel approaches to real-time asset monitoring of power transformers while operational.

Ohodnicki, Paul R.↗

DOE OSTI2018

Pair-density waves, charge-density waves, and vortices in high- T c cuprates

A recent scanning tunneling microscopy (STM) experiment reports the observation of a charge-density wave (CDW) with a period of approximately 8a in the halo region surrounding the vortex core, in striking contrast to the approximately 4a period CDWs that are commonly observed in the cuprates. Inspired by this work, we study a model where a bidirectional pair-density wave (PDW) with period 8 is at play. This further divides into two classes: (1) where the PDW is a competing state of the d-wave superconductor and can exist only near the vortex core where the d-wave order is suppressed and (2) where the PDW is the primary order, the so-called “mother state” that persists with strong phase fluctuations to high temperature and high magnetic field and lies behind the pseudogap phenomenology. We study the charge-density wave structures near the vortex core in these models. We emphasize the importance of the phase winding of the d-wave order parameter. The PDW can be pinned by the vortex core due to this winding and become static. Furthermore, the period-8 CDW inherits the properties of this winding, which gives rise to a special feature of the Fourier transform peak, namely, it is split in certain directions. There is also a line of zeros in the inverse Fourier transform of filtered data. We propose that these are key experimental signatures that can distinguish between the PDW-driven scenario from the more mundane option that the period-8 CDW is primary. We discuss the pro's and con's of the options considered above. Lastly, we attempt to place the STM experiment in the broader context of pseudogap physics of underdoped cuprates and relate this observation to the unusual properties of x-ray scattering data on CDW carried out to very high magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Empirical probability and machine learning analysis of m , n = 2, 1 tearing mode onset parameter dependence in DIII-D H-mode scenarios

m, n = 2, 1 tearing mode onset empirical probability and machine learning analyses of a multiscenario DIII-D database of over 14 000 H-mode discharges show that the normalized plasma beta, the rotation profile, and the magnetic equilibrium shape have the strongest impact on the 2,1 tearing mode stability, in qualitative agreement with neoclassical tearing modes (m and n are the poloidal and toroidal mode numbers, respectively). In addition, 2,1 tearing modes are most likely to destabilize when n > 1 tearing modes are already present in the core plasma. The covariance matrix of tearing sensitive plasma parameters takes a nearly block-diagonal form, with the blocks incorporating thermodynamic, current and safety factor profile, separatrix shape, and plasma flow parameters, respectively. This suggests a number of paths to improved stability at fixed pressure and edge safety factor primarily by preserving a minimum of 1 kHz differential rotation, increasing the minimum safety factor above unity, using upper single null magnetic configuration, and reducing the core impurity radiation. In addition, lower triangularity, lower elongation, and lower pedestal pressure may also help to improve stability. Furthermore, the electron and ion temperature, collisionality, resistivity, internal inductance, and the parallel current gradient appear to only weakly correlate with the 2,1 tearing mode onsets in this database.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

Hyper-Velocity Nanoparticle Plasma Jet as Fast Probe for Runaway Electrons in Tokamak Disruptions

The large energy focalized deposition of the runaway electron (RE) beam on the first wall can potentially yield to destructive effects on the reactor vessel during the explosive instability of a major disruption in a large tokamak (e.g. RE beam estimation is multi-MA of ~10 MeV energy in ITER.) Impurity injection is seen as an effective way to suppress REs after thermal quench (TQ). Injected material in solid state is advantageous, but it must be in small size grain form, with large surface-to-mass ratio to facilitate its rapid ablation within plasma. However, the results using shattered pellet injection (SPI), a technique aiming to satisfy these condition, indicated that the relatively unexplored RE evolution phases and RE beam-plasma interaction are far from being properly diagnosed and fully understood. We proposed the idea to probe REs with a pulsed power hyper-velocity large-mass nanoparticle plasma jet (NPPJ). NPPJ provides a high specific surface area and swift injection to core, hence fast increase of three basic parameters: 1) the electron density ne (bound and free through ionization, if the cold post-TQ plasma has a still high enough T e ), 2) the effective charge (Z eff ) which rises both the dynamical friction force and plasma resistivity, and, finally, 3) the value of the (Dreicer and critical) threshold E-field above which electrons are accelerated and become REs. But the fast transient phenomena of RE ”seed” creation, RE ”avalanche” multiplication, and RE beam formation and interaction with the background plasma all take place dominantly in the core plasma, where the induction E-field has its maximum. Thus, the RE probe success requires a rapid (1 - 2 ms) injection of sufficient mass able to penetrate through the strong toroidal magnetic field (2 - 5 T) over a long distance (~1 - 2 m) with a large assimilation fraction in the core plasma. As a RE probe, NPPJ is a unique combination of fast response with trigger-to-delivery time of few milliseconds, large mass-velocity (>75 mg at several km/s) and deep injection into post-TQ central plasma. The Objectives of this Category #1 project (concept development) were as follows: 1: We investigated the essential basic physics aspects of creating a plasma with ~10 15 to 10 16 cm -3 boron nitride (BN) NP density suited for a pulsed power plasma gun acceleration to several km/s. We concluded that, for RE NPPJ probe, BN (diameter Ø10 to 100 nm NPs) are in all respects usable. 2: We advanced solutions to get BN NPPJ by adapting FAR-TECH’s technology for C 60 NPPJ. 3: We developed self-consistent models for RE current density j RE (R; t) evolution in the TQ aftermath, with fast and simultaneous increase of n e (R; t) and Z eff (R; t) > 1 upon the specific injection of C 60 (i.e. C ions) and BN NP (i.e. B and N ions), respectively. We showed that prompt post-TQ injection and high velocity are of essence in RE probe diagnostics and suppression. 4: We used the in-house HEM-2D code to simulate the C$_{60}^{q+}$ NPPJ transverse penetration through tokamak-level B-field (BT ~2 to 5 T) and distance (~1 to 2m), with fragmentation of C$_{60}^{q+}$ and developed the algorithm for BN Q+ NPPJ ablative sublimation of BN Q+ NP by the collisions with post-TQ plasma electrons. HEM-2D results indicated that fragmenting C$_{60}^{1+}$ NPPJ penetrates up to ~60 cm in 100 us when injecting at 1.6 ms after TQ and gradually released C 2 fragments and C ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

The effects of field history on magnetic skyrmion formation in [Pt/Co/Ir] 3 multilayers

Here, we report on the formation of Néel-type magnetic bubble skyrmions at room temperature in [Pt/Co/Ir] 3 multilayered thin films after an in-plane magnetic field treatment. Polar magneto-optical Kerr Effect (p-MOKE) microscopy images show that the dendritic magnetic configurations observed after AC demagnetization evolve into magnetic bubble skyrmions after the application and subsequent removal of an in-plane magnetic field. Micromagnetic simulations were used to systematically investigate the role of the in-plane magnetic field magnitude, misalignment of the sample, and the Dzyaloshinskii-Moriya interactions (DMI) in generating bubble skyrmions during the field treatment. The simulations show that in-plane fields slightly below the saturation field are the most effective at producing skyrmions, and, furthermore, a small field angle away from the sample plane not only leads to improved skyrmion formation but also provides a means to select the skyrmion polarity where the direction of the out-of-plane component of the field is opposite to the direction of the skyrmion cores. This field treatment scheme leads to a simple and reliable way to create magnetic bubble skyrmions in multilayered thin films with DMI.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Direct measurement of the transition from edge to core power coupling in a light-ion helicon source

Here, we present time-resolved measurements of an edge-to-core power transition in a light-ion (deuterium) helicon discharge in the form of infra-red camera imaging of a thin stainless steel target plate on the Proto-Material Exposure eXperiment device. The time-resolved images measure the two-dimensional distribution of power deposition in the helicon discharge. The discharge displays a mode transition characterized by a significant increase in the on-axis electron density and core power coupling, suppression of edge power coupling, and the formation of a fast-wave radial eigenmode. Although the self-consistent mechanism that drives this transition is not yet understood, the edge-to-core power transition displays characteristics that are consistent with the discharge entering a slow-wave anti-resonant regime. RF magnetic field measurements made across the plasma column, together with the power deposition results, provide direct evidence to support the suppression of the slow-wave in favor of core plasma production by the fast-wave in a light-ion helicon source.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Characteristics of temperature rise in variable inductor employing magnetorheological fluid driven by a high-frequency pulsed voltage source

A variable inductor with magnetorheological (MR) fluid has been successfully applied to power electronics applications; however, its thermal characteristics have not been investigated. To evaluate the performance of the variable inductor with respect to temperature, we measured the characteristics of temperature rise and developed a numerical analysis technique. The characteristics of temperature rise were determined experimentally and verified numerically by adopting a multiphysics analysis technique. In order to accurately estimate the temperature distribution in a variable inductor with an MR fluid-gap, the thermal solver should import the heat source from the electromagnetic solver to solve the eddy current problem. To improve accuracy, the B–H curves of the MR fluid under operating temperature were obtained using the magnetic property measurement system. In addition, the Steinmetz equation was applied to evaluate the core loss in a ferrite core. The predicted temperature rise for a variable inductor showed good agreement with the experimental data and the developed numerical technique can be employed to design a variable inductor with a high-frequency pulsed voltage source.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Local and long-range atomic/magnetic structure of non-stoichiometric spinel iron oxide nanocrystallites

Spinel iron oxide nanoparticles of different mean sizes in the range 10–25 nm have been prepared by surfactant-free up-scalable near- and super-critical hydrothermal synthesis pathways and characterized using a wide range of advanced structural characterization methods to provide a highly detailed structural description. The atomic structure is examined by combined Rietveld analysis of synchrotron powder X-ray diffraction (PXRD) data and time-of-flight neutron powder-diffraction (NPD) data. The local atomic ordering is further analysed by pair distribution function (PDF) analysis of both X-ray and neutron total-scattering data. It is observed that a non-stoichiometric structural model based on a tetragonal γ-Fe 2 O 3 phase with vacancy ordering in the structure (space group P 4 3 2 1 2) yields the best fit to the PXRD and total-scattering data. Detailed peak-profile analysis reveals a shorter coherence length for the superstructure, which may be attributed to the vacancy-ordered domains being smaller than the size of the crystallites and/or the presence of anti-phase boundaries, faulting or other disorder effects. The intermediate stoichiometry between that of γ-Fe 2 O 3 and Fe 3 O 4 is confirmed by refinement of the Fe/O stoichiometry in the scattering data and quantitative analysis of Mössbauer spectra. The structural characterization is complemented by nano/micro-structural analysis using transmission electron microscopy (TEM), elemental mapping using scanning TEM, energy-dispersive X-ray spectroscopy and the measurement of macroscopic magnetic properties using vibrating sample magnetometry. Notably, no evidence is found of a Fe 3 O 4 /γ-Fe 2 O 3 core-shell nanostructure being present, which had previously been suggested for non-stoichiometric spinel iron oxide nanoparticles. Finally, the study is concluded using the magnetic PDF (mPDF) method to model the neutron total-scattering data and determine the local magnetic ordering and magnetic domain sizes in the iron oxide nanoparticles. The mPDF data analysis reveals ferrimagnetic collinear ordering of the spins in the structure and the magnetic domain sizes to be ∼60–70% of the total nanoparticle sizes. The present study is the first in which mPDF analysis has been applied to magnetic nanoparticles, establishing a successful precedent for future studies of magnetic nanoparticles using this technique.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2010

X-ray resonant magnetic scattering and x-ray magnetic circular dichroism branching ratios, L[subscript 3] / L[subscript 2], for heavy rare earths

In this study we have used first principles electronic structure methods to investigate the detailed contributions to the L{sub 3}/L{sub 2} branching ratio in the heavy rare earth elements. The calculations use the full potential, relativistic, linear augmented plane wave method with the LSDA+U approach for consideration of the local 4f electronic orbitals. With no spin orbit coupling (SOC) in the conducting bands, and with the same radial function for the 2p{sub 3/2} and 2p{sub 1/2} core states, the branching ratio (BR) is exactly 1:-1 for the x-ray magnetic circular dichroism spectra of the ferromagnetic heavy rare earth metals. However, with full SOC the BR ranges from 1.5 to 6.0 in going from Gd to Er. The energy and spin dependence of the 5d radial functions are important. The results point to problems with modified atomic models which have been proposed to explain the BR. Recent x-ray resonant magentic scattering experiments on (Gd,Tb,Dy,Ho,Er,Tm)Ni{sub 2}Ge{sub 2} are discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2015

Statistical error propagation in ab initio no-core full configuration calculations of light nuclei

We propagate the statistical uncertainty of experimental N N scattering data into the binding energy of 3 H and 4 He. Here, we also study the sensitivity of the magnetic moment and proton radius of the 3 H to changes in the N N interaction. The calculations are made with the no-core full configuration method in a sufficiently large harmonic oscillator basis. For those light nuclei we obtain Δ E stat (3H) = 0.015 MeV and Δ E stat ( 4 He) = 0.055 MeV .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

CaMn 3 IV O 4 Cubane Models of the Oxygen‐Evolving Complex: Spin Ground States S <9/2 and the Effect of Oxo Protonation

Abstract We report the single crystal XRD and MicroED structure, magnetic susceptibility, and EPR data of a series of CaMn 3 IV O 4 and YMn 3 IV O 4 complexes as structural and spectroscopic models of the cuboidal subunit of the oxygen‐evolving complex (OEC). The effect of changes in heterometal identity, cluster geometry, and bridging oxo protonation on the spin‐state structure was investigated. In contrast to previous computational models, we show that the spin ground state of CaMn 3 IV O 4 complexes and variants with protonated oxo moieties need not be S =9/2. Desymmetrization of the pseudo ‐ C 3 ‐symmetric Ca(Y)Mn 3 IV O 4 core leads to a lower S =5/2 spin ground state. The magnitude of the magnetic exchange coupling is attenuated upon oxo protonation, and an S =3/2 spin ground state is observed in CaMn 3 IV O 3 (OH). Our studies complement the observation that the interconversion between the low‐spin and high‐spin forms of the S 2 state is pH‐dependent, suggesting that the (de)protonation of bridging or terminal oxygen atoms in the OEC may be connected to spin‐state changes.

Lee, Heui Beom↗

DOE OSTI2021

CaMn 3 IV O 4 Cubane Models of the Oxygen‐Evolving Complex: Spin Ground States S <9/2 and the Effect of Oxo Protonation

Lee, Heui Beom↗

DOE OSTI2020

Dual magnetic phase material rings for AC electric machines

An AC electric machine that includes a dual magnetic phase material ring is disclosed. The AC electric machine includes a stator assembly and a rotor assembly positioned within the stator assembly and configured to rotate relative thereto, the rotor assembly comprising a rotor core including a stack of rotor laminations that collectively form the rotor core, the rotor core including a plurality of rotor poles separated by gaps therebetween. The AC electric machine also includes a dual magnetic phase material ring positioned about the stack of rotor laminations, the dual magnetic phase material ring comprising a first ring portion comprising a magnetic portion and a second ring portion comprising a non-magnetic portion.

42 ENGINEERING↗