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Ligand modification transforms a polyoxometalate-anchored cubane-type [Mn{sup III}{sub 3}Mn{sup IV}O{sub 4}] core into a centrosymmetric [Mn{sup III}{sub 6}Mn{sup IV}O{sub 8}] di-cubane cluster, and restores the slow magnetization relaxation characteristics typical for [Mn{sub 4}O{sub 4}] cubane-based single-molecule magnets.
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 of the Bedwell 33-52-1-1H well (API 25-091-21920), a wildcat field in Sheridan County, Montana. The primary impetus of this work is to provide a unique dataset to researchers at universities, national laboratories, geological surveys, and other locations for additional analyses. The resultant datasets are presented in this report and can be accessed from NETL's Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/bedwell-33-52-1-1h-well. The equipment and techniques used to characterize the full core were non-destructive, enabling future examinations and analyses to be performed on these cores. However, none of the equipment used was suitable for direct visualization of the pore space in fine-grained structures such as those found in shales; fractures, discontinuities, and millimeter scale features were readily detectable with the methods tested. Imaging with the NETL medical CT scanner was performed on the entire core. Qualitative analysis of the medical CT images, coupled with X-ray fluorescence (XRF), P-wave, and magnetic susceptibility measurements from the MSCL were useful in identifying zones of interest for more detailed analysis. A selection of samples (Table 1) were cored, sliced, and powdered for additional characterization analyses. These analyses did involve destructive subsampling of the full core at discrete sections, and the results are presented here in the context of the larger core description. Selected sections of the core were removed from the full core for detailed analyses using the following destructive techniques: bulk inductively coupled plasma-optical emission spectroscopy (ICP-OES), isolation of carbon and sulfur, Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), and higher resolution CT scan with NETL’s micro-CT scanning systems. 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; the resulting macro and micro descriptions are relevant to many subsurface energy related examinations traditionally performed at NETL.
Direct current (DC) models of solar coronal heating invoke magnetic reconnection to convert magnetic free energy into heat, whereas alternating current (AC) models invoke wave dissipation. In both cases the energy is supplied by photospheric footpoint motions. For a given footpoint velocity amplitude, DC models predict lower average heating rates but greater temperature variability when compared to AC models. Therefore, evidence of hot plasma (T > 5 MK) in the cores of active regions could be one of the ways for current observations to distinguish between AC and DC models. We have analyzed data from the X-Ray Telescope (XRT) and the Atmospheric Imaging Assembly for 12 quiescent active region cores, all of which were observed in the XRT Be-thick channel. We did Differential Emission Measure (DEM) analysis and achieved good fits for each data set. We then artificially truncated the hot plasma of the DEM model at 5 MK and examined the resulting fits to the data. For some regions in our sample, the XRT intensities continued to be well-matched by the DEM predictions, even without the hot plasma. This truncation, however, resulted in unacceptable fits for the other regions. This result indicates that the hot plasma is present in these regions, even if the precise DEM distribution cannot be determined with the data available. We conclude that reconnection may be heating the hot plasma component of these active regions.
Classical particle drifts are known to have substantial impacts on fluxes of particles and heat through the edge plasmas in both tokamaks and stellarators. Here we present results from the first dedicated investigation of drift effects in the W7-X stellarator. By comparing similar plasma discharges conducted with a forward- and reverse-directed magnetic field, the impacts of drifts could be isolated through the observation of up-down asymmetries in flux profiles on the divertor targets. In low-density plasmas, the radial locations of the strike lines (i.e. peaks in the target heat flux profiles) exhibited discrepancies of up to 3 cm that reversed upon magnetic field reversal. In addition, asymmetric heat loads were observed in regions of the target that are shadowed by other targets from parallel flux from the core plasma. A comparison of these asymmetric features with the footprints of key topological regions of the edge magnetic field on the divertor suggests that the main driver of the asymmetries at low density is poloidal E × B drift due to radial electric fields in the scrape-off layer and private flux region. In higher-density plasmas, upper and lower targets collected non-ambipolar currents with opposite signs that also inverted upon field reversal. Overall, in these experiments, almost all up-down asymmetry could be attributed to the field reversal and, therefore, field-dependent drifts.
All magnetically confined plasma fusion power plant concepts (Tokamak, Spherical Tokamak, Stellarator, Mirror, ...) must exhaust the heat and plasma from the core confinement region to the material walls. The primary channel for this exhaust is through a plasma divertor which directs plasma along open magnetic field lines to a material target. The Material Plasma Exposure eXperiment (MPEX) illustrated in Figure 1, is a high-power, steady-state linear plasma device designed to produce the plasma material interaction (PMI) conditions of the divertor of future magnetic confinement fusion power plants: energy flux 20MW/m 2 , ion fluence 1031/m 2 , pulse duration 106 sec. These goals of plasma exposure in MPEX are well beyond those achieved in magnetic fusion experimental devices. Successfully achieving these high power steady state conditions for long pulses requires operational control of the heating and particle sources and the plasma flux to the walls and target. The MPEX AI Hot Spot Controller, proposed in this project, will help achieve the operational milestones of MPEX. The MPEX device will begin commissioning at the end of FY26. A smaller proto-MPEX was operated for 14,666 plasma discharges and will resume operation in September of 2025 as proto-MPEX-lite, with reduced capability, to test a new window for the Helicon plasma source. The proto-MPEX data has undergone surrogate modeling with machine learning methods (R. Archibald, 2022 IEEE International Conference on Big Data). This proto-MPEX data will be used to begin development of the AI digital twins described in this white paper. The scientific mission of MPEX is to qualify materials of different composition for use in the high energy and plasma flux conditions of a fusion power plant. The materials exposed in MPEX will in some cases be exposed to high neutron fluxes at other ORNL facilities to measure the changes to their PMI properties. The targets exposed in MPEX will be transported under vacuum to a Surface Analysis Station (SAS). The SAS will be equipped with the following diagnostics: Focused Ion Beam (FIB) for trench milling, 100-400 angstrom resolution scanning electron microscope (SEM), surface mapping x-ray spectrometer, high resolution camera, and a future upgrade to a laser induced breakdown spectroscopy quadruple mass spectrometer (LIBS-QMS). The MPEX experiments will generate diverse pre- and post-exposure measurement data of detailed material properties down to the crystal grain level in 3D for post-exposure assessment of PMI damage (e.g. cracking, melting, erosion and redeposition of the material). Physics models for the PMI, and how the material composition and manufacturing impact its performance under high energy plasma exposure, need to be validated with MPEX data to guide the selection of new candidate materials. Our vision for the MPEX AI Digital Twins project is to supply experimental and physics model simulation data to train Artificial Intelligence (AI) models for data processing, analysis, operational control, PMI and materials simulation to maximize the scientific output of the MPEX device. Ultimately, an AI digital twin of MPEX material assessment metrics for tested and synthetic material types with simulated PMI will be trained by the AI Modeling Teams on the experimental and physics simulation data submitted to the American Science Cloud by this project. A purely empirical search for the best material is inefficient given the finite number of samples that can be tested on MPEX. In order to expand the material properties database for training the MPEX Material Assessment AI Digital Twin, and to gain physics understanding of the PMI processes, physics models of the material properties and PMI processes are required. The physics simulations provide detailed simulation data, like impact angles for plasma ions, sputtering yields, transport of the ionized sputtered target material in the plasma, and redeposition locations. This simulation data expands the measurement data for deeper physics understanding. The experimental data is essential to validate the PMI and material structure simulation models. The validated models can then be used to generate new simulation data of MPEX material assessments for synthetic material compositions that have not been exposed in MPEX. These predictive simulations, plus the whole experimental dataset, will be used to train the MPEX Material Assessment AI Digital Twin allowing a rapid generative AI search for new materials with reduced PMI damage by interpolating the domain of the training set. These new optimum materials can be simulated with the physics codes and/or tested in MPEX. The ability of AI neural networks to interpolate multi-dimensional parameter spaces and generate virtual data is exploited for a more efficient search for optimum materials. The advent of the Transformational AI Models Consortium (TAIMC) is an opportunity to engage with state of the art private and public AI developers to achieve the goals of the AI digital twins and AI accelerated physics models proposed in this project. Our partners at ORNL from the Advance Scientific Computing Research (ASCR) organization will collaborate in accelerating the integrated plasma material interaction simulation framework. This simulation framework will provide a platform for generating simulation data across a range of physical fidelities, including hybrid methods that produce multi-fidelity results. This data will be leveraged for AI model development, both for generation of surrogates and the automation of simulation campaigns. A part of the research below will include collaborative efforts with the TAIMC to (i) adapt data storage approaches to ensure AI-readiness, (ii) provide a protypical exemplar to inform and exercise constructed workflows, and (iii) generate and share data, using the TAIMC unified AI data standard, for foundational models that will be trained from multiple sources across the DOE complex. We will also collaborate with the TAIMC, as well as the planned AI modeling teams, to develop approaches for reducing the cost of data generation. These include tailored multi-fidelity approaches as well as fine-tuning strategies to augment general, large-scale foundational models.
We propose a simple ansatz for estimating the value of the numerical resistivity and the numerical viscosity of any Eulerian MHD code. We test this ansatz with the help of simulations of the propagation of (magneto)sonic waves, Alfvén waves, and the tearing mode (TM) instability using the MHD code Aenus. By comparing the simulation results with analytical solutions of the resistive-viscous MHD equations and an empirical ansatz for the growth rate of TMs, we measure the numerical viscosity and resistivity of Aenus. The comparison shows that the fast magnetosonic speed and wavelength are the characteristic velocity and length, respectively, of the aforementioned (relatively simple) systems. We also determine the dependence of the numerical viscosity and resistivity on the time integration method, the spatial reconstruction scheme and (to a lesser extent) the Riemann solver employed in the simulations. From the measured results, we infer the numerical resolution (as a function of the spatial reconstruction method) required to properly resolve the growth and saturation level of the magnetic field amplified by the magnetorotational instability in the post-collapsed core of massive stars. Our results show that it is most advantageous to resort to ultra-high-order methods (e.g., the ninth-order monotonicity-preserving method) to tackle this problem properly, in particular, in three-dimensional simulations.
We report that large, spontaneous m/n = 1/1 helical cores are predicted in tokamaks with extended regions of low- or reversed-magnetic shear profiles in a region within the q = 1 surface and an onset condition determined by constant (dp/dρ)/B$2\atop{t}$ along the threshold. These 3D modes occurred frequently in Alcator C-Mod during ramp-up when slow current penetration results in a reversed shear q-profile. The onset and early development of a helical core in C-Mod were simulated using a new 3D time-dependent equilibrium reconstruction, based on the ideal MHD equilibrium code VMEC. The reconstruction used the experimental density, temperature, and soft-X-ray fluctuations. The pressure profile can become hollow due to an inverted, hollow electron temperature profile caused by molybdenum radiation in the plasma core during the current ramp-up phase before the onset of sawteeth, which may also occur in ITER with tungsten. Lastly, based on modeling, it is found that a reverse shear q-profile combined with a hollow pressure profile reduces the onset condition threshold, enabling helical core formation from an otherwise axisymmetric equilibrium.
This report summarizes progress during the final year of this project to study the physics of high energy density (HED) plasma streams of 10^17-10^20/cm3 density and high velocity (~100-500 km/s). Such streams are produced from 5-250 micrometer diameter wires heated and ionized by a 1 MA, 250 ns current pulse on the COBRA pulsed power facility at Cornell University. Plasma is ablated from the wires and is driven away to high velocity by unbalanced JxB force. A wire, or an array of wires, can persist as an essentially stationary, continuous source of this streaming plasma for >200 ns, even with driving magnetic fields of many Tesla and peak current densities in the plasma of many MA/cm2. At the heart of the ablation stream generation is the continuous transport of mass from the relatively cold, near-solid-density wire "core" into current-carrying plasma within 1 mm of the wire, followed by the magnetic acceleration of that plasma and its trapped flux to form a directed stream. In the first two years of this program, an advancing understanding of ablation physics led to the discovery of several novel wire ablation experimental regimes. In the final year, one of these new HED plasma regimes has been studied in quantitative detail. This regime studies highly reproducible magnetic reconnection in strongly radiating plasma with supersonic and superalfvenic flow, and shock structures in the outflow. The key discovery is that very heavy wires, e.g. 250 micrometer diameter Al or 150 micrometer Cu, behave in a qualitatively different way than the lighter wires typically used in wire-array Z-pinches. Such wires can be configured to produce a static magnetic X-point null geometry that stores magnetic and thermal energy; reconnection and outflow are triggered when the current begins to decrease and the electric field reverses. The reconnecting flow is driven by both magnetic and thermal pressure forces, and it has been found to be possible to vary the configuration so that one or the other dominates. The magnetic null extends into a current sheet that is heated and radiates strongly, with supersonic outflows. This is the first study of reconnection in this HED plasma regime. This compressible, radiative regime, and the triggering mechanism, may be relevant to solar and astrophysical processes. The PERSEUS extended MHD code has been developed for simulation of these phenomena, and will continue to be used and further developed to help interpret and understand experimental results, as well as to guide experimental design. The code is well-suited to simulations of shocks, and includes Hall and electron inertia physics that appear to be of importance in a number of ablation flow regimes, and definitely in the reconnection regime when gradient scales are comparable to the ion inertial scale. During the final year, our graduate student supported by this grant completed a new version of PERSEUS with the finite volume computational scheme replaced by a discontinuous Galerkin method that gives much less diffusive behavior and allows faster run time and higher spatial resolution. The code is now being used to study shock structures produced in the outflow region of the reconnection regime.
An analytical fluid model is proposed for artificially collimating fast electron beams produced in the interaction of ultraintense laser pulses with specially engineered low-density-core-high-density-cladding structure targets. Since this theory clearly predicts the characteristics of the spontaneously generated magnetic field and its dependence on the plasma parameters of the targets transporting fast electrons, it is of substantial relevance to the target design for fast ignition. The theory also reveals that the rapid changing of the flow velocity of the background electrons in a transverse direction (perpendicular to the flow velocity) caused by the density jump dominates the generation of a spontaneous interface magnetic field for these kinds of targets. It is found that the spontaneously generated magnetic field reaches as high as 100 MG, which is large enough to collimate fast electron transport in overdense plasmas. This theory is also supported by numerical simulations performed using a two-dimensional particle-in-cell code. It is found that the simulation results agree well with the theoretical analysis.
We present the first results from the B-fields In STar-forming Region Observations (BISTRO) survey, using the Sub-millimetre Common-User Bolometer Array 2 camera, with its associated polarimeter (POL-2), on the James Clerk Maxwell Telescope in Hawaii. We discuss the survey’s aims and objectives. We describe the rationale behind the survey, and the questions that the survey will aim to answer. The most important of these is the role of magnetic fields in the star formation process on the scale of individual filaments and cores in dense regions. We describe the data acquisition and reduction processes for POL-2, demonstrating both repeatability and consistency with previous data. We present a first-look analysis of the first results from the BISTRO survey in the OMC 1 region. We see that the magnetic field lies approximately perpendicular to the famous “integral filament” in the densest regions of that filament. Furthermore, we see an “hourglass” magnetic field morphology extending beyond the densest region of the integral filament into the less-dense surrounding material, and discuss possible causes for this. We also discuss the more complex morphology seen along the Orion Bar region. We examine the morphology of the field along the lower-density northeastern filament. We find consistency with previous theoretical models that predict magnetic fields lying parallel to low-density, non-self-gravitating filaments, and perpendicular to higher-density, self-gravitating filaments.
Dust polarization observations from the Submillimeter Array (SMA) and the Caltech Submillimeter Observatory (CSO) are analyzed with the goal of providing a general tool to interpret the role of the magnetic field in molecular clouds. Magnetic field and dust emission gradient orientations are observed to show distinct patterns and features. The angle δ between these two orientations can be interpreted as a magnetic field alignment deviation, assuming the emission gradient orientation to coincide with the density gradient orientation in the magnetohydrodynamics force equation. In SMA high-resolution (collapsing) cores, additional symmetry properties in δ can reveal accretion and outflow zones. All these observational findings suggest the angle δ to be a relevant quantity that can assess the role of the magnetic field. Indeed, when comparing this angle with the (projection-free) magnetic field significance Σ{sub B} (introduced by Koch and coworkers in 2012), it is demonstrated that |δ| yields an approximation to the change in Σ{sub B}. Thus, changes in the magnetic field alignment deviation δ trace changes in the role of the magnetic field. The angle δ is observationally straightforward to determine, providing a tool to distinguish between zones of minor or significant magnetic field impact. This is exemplified by the CSO M+0.25 + 0.01, Mon R2, CO+0.02 – 0.02, M–0.02 – 0.07 sources and by the SMA high-resolution data from W51 e2, W51 North, Orion BN/KL and g5.89. Additional CSO sources are analyzed, providing further support of this result. Finally, based on the different features found in our sample of 31 sources in total, covering sizes from large-scale complexes to collapsing cores, a schematic evolutionary scenario is proposed. Here, the significance of the magnetic field evolves both with position and scale, and can be assessed with the angle δ.
Dynamical properties of magnetic vortices in arrays of magnetostatically coupled ferromagnetic disks are studied by means of a broadband ferromagnetic-resonance (FMR) setup. Magnetic force microscopy and magnetic transmission soft X-ray microscopy are used to image the core polarizations and the chiralities which are both found to be randomly distributed. The resonance frequency of vortex-core motion strongly depends on the magnetostatic coupling between the disks. The parameter describing the relative broadening of the absorption peak observed in the FMR transmission spectra for a given normalized center-to-center distance between the elements is shown to depend on the size of the array.
The contribution of the quiet Sun to solar irradiance variability, either due to changes of the solar effective temperature or to the presence of unresolved magnetic field, is still poorly understood. In this study we investigate spectral line diagnostics that are sensitive to both temperature variations and the presence of small-scale unresolved magnetic features in these areas of the solar atmosphere. Specifically, we study the dependence on the magnetic flux density of three parameters describing the shape of two magnetically sensitive Fe I lines, at 630.2 nm and 617.3 nm, namely the line core intensity (IC), the FWHM, and the equivalent width (EQW). To this end we analyze observations of active region NOAA 11172, acquired with Interferometric Bidimensional Spectrometer at the Dunn Solar Telescope, as well as results from numerical synthesis. Our results show that IC is sensitive to both temperature and magnetic flux density variations, FWHM is mostly affected by magnetic field changes, and EQW is mostly sensitive to temperature. Variations of a few percent of the measured line parameters are found in observational data that were spatially degraded to represent quiet-Sun, disk-center, medium-resolution observations. It is therefore possible to disentangle magnetic from pure thermodynamic effects by the comparison of temporal variations of the EQW and the FWHM of either of the two Fe I lines.
Using melt mixing, we produced a ceramic/polymer composite with a matrix of polyvinylidene fluoride (PVDF) and a filler of 5 vol.% Ni-deposited CaCu{sub 3}Ti{sub 4}O{sub 12} core-shell ceramic particles (CCTO@Ni), and studied its prominent dielectric characteristics for the first. Its phase composition and morphology were analyzed by X-ray diffraction and scanning electron microscopy, respectively. After treating the composite films with various durations of a magnetic field treatment, we compared their dielectric properties. We found that the CCTO@Ni ceramic had a typical urchin-like core-shell structure, and that different durations of the magnetic field treatment produced different distributions of ceramic particles in the PVDF matrix. The dielectric permittivity of the untreated CCTO@Ni/PVDF composite was 20% higher than that of neat PVDF, and it had a low loss tangent. However, only the composite treated for 30 min in the magnetic field had an ultra-high dielectric permittivity of 1.41 × 10{sup 4} at 10 Hz, three orders of magnitude higher than the untreated composite, which declined dramatically with increasing frequency, accompanied by an insulating-conducting phase transition and an increase in loss tangent. Our results demonstrate that changes in the dielectric properties of PVDF composites with magnetic field treatment are closely related to the percolation effect and interfacial polarization.
As a powerful and versatile scientific instrument, magnetic tweezers have been widely used in biophysical research areas, such as mechanical cell properties and single molecule manipulation. If one wants to steer bead position, the nonlinearity of magnetic properties and the strong position dependence of the magnetic field in most magnetic tweezers lead to quite a challenge in their control. In this article, we report multi-pole electromagnetic tweezers with high permeability cores yielding high force output, good maneuverability, and flexible design. For modeling, we adopted a piece-wise linear dependence of magnetization on field to characterize the magnetic beads. We implemented a bi-linear interpolation of magnetic field in the work space, based on a lookup table obtained from finite element simulation. The electronics and software were custom-made to achieve high performance. In addition, the effects of dimension and defect on structure of magnetic tips also were inspected. In a workspace with size of 0.1 × 0.1 mm{sup 2}, a force of up to 400 pN can be applied on a 2.8 μm superparamagnetic bead in any direction within the plane. Because the magnetic particle is always pulled towards a tip, the pulling forces from the pole tips have to be well balanced in order to achieve control of the particle’s position. Active video tracking based feedback control is implemented, which is able to work at a speed of up to 1 kHz, yielding good maneuverability of the magnetic beads.
Here, we perform a three-dimensional (3D) global simulation of Earth's magnetosphere with kinetic reconnection physics to study the flux transfer events (FTEs) and dayside magnetic reconnection with the recently developed magnetohydrodynamics with embedded particle-in-cell model (MHD-EPIC). During the one-hour long simulation, the FTEs are generated quasi-periodically near the subsolar point and move toward the poles. We also find the magnetic field signature of FTEs at their early formation stage is similar to a ‘crater FTE’, which is characterized by a magnetic field strength dip at the FTE center. After the FTE core field grows to a significant value, it becomes an FTE with typical flux rope structure. When an FTE moves across the cusp, reconnection between the FTE field lines and the cusp field lines can dissipate the FTE. The kinetic features are also captured by our model. A crescent electron phase space distribution is found near the reconnection site. A similar distribution is found for ions at the location where the Larmor electric field appears. The lower hybrid drift instability (LHDI) along the current sheet direction also arises at the interface of magnetosheath and magnetosphere plasma. Finally, the LHDI electric field is about 8 mV/m and its dominant wavelength relative to the electron gyroradius agrees reasonably with MMS observations.
Lithium (Li) chloride and iron oxychloride (FeOCl), typically nonconductive, were combined to form a [Li 1+δ Cl] δ+ /[FeOCl] δ- heterointerface composite material (LFH), achieving ionic conductivities of >1 mS cm -1 . Analysis techniques (scanning transmission electron microscopy [STEM] and electron energy-loss spectroscopy [EELS]) indicated that the microstructure of LFH consisted of an amorphous LiCl-based shell surrounding a crystalline FeOCl-based core. Electrochemical measurements alongside solid-state 6,7 Li nuclear magnetic resonance (NMR) and molecular dynamic simulations revealed Li+ as the sole conductive species, with a diffusion barrier of ~0.25 eV. X-ray photoelectron spectroscopy (XPS) and X-ray absorption fine structure (XAFS) results further supported interstitial Li + diffusion at the heterointerface and within the LiCl phase, made possible by the heterointerface. Despite susceptibility to electronic conductivity, iron’s defects and multivalency (Fe³⁺, Fe²⁺) enable the Fe–O–Cl framework to accept Cl - , facilitating Li⁺ ionic conduction. Finally, a prototype solid-state cell (showing 97% Coulombic efficiency) demonstrated the viability of this heterointerface design for applications in energy storage.
An electron energy spectrometer (ESM) is one of the most fundamental diagnostics in the fast ignition experiment. It is necessary to observe the spectra down to a low energy range in order to obtain the accurate deposition efficiency toward the core. Here, we realize the suitable ESM by using a ferrite magnet with a moderate magnetic field of 0.3 T and a rectangular magnetic circuit covered with a steel plate in the inlet side.