Soft X-ray Induced Radiation Damage in Dip-and-Pull Photon Absorption and Photoelectron Emission Experiments
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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
SEARCH · Engineering Papers
Results for “DIP”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Reduced-Cost Four-Component Relativistic Double Ionization Potential Equation-of-Motion Coupled-Cluster Approaches with 4-Hole–2-Particle Excitations and Three-Body Clusters
The double ionization potential (DIP) equation-ofmotion (EOM) coupled-cluster (CC) method with 4-hole−2- particle (4h-2p) excitations on top of the CC with singles, doubles, and triples calculation, abbreviated as DIP-EOMCCSDT(4h-2p), along with its perturbative DIP-EOMCCSD(T)(a)(4h-2p) approximation, are extended to a relativistic four-component (4c) framework. In addition, we introduce and test a new computationally practical DIP-EOMCC approach, which we call DIPEOMCCSD( T)(ã)(4h-2p), that approximates the treatment of 4h- 2p correlations within the DIP-EOMCCSD(T)(a)(4h-2p) method and reduces the $\mathcal{N}$ 8 scaling characterizing DIP-EOMCCSDT(4h- 2p) and DIP-EOMCCSD(T)(a)(4h-2p) to $\mathcal{N}$ 7 with the system size $\mathcal{N}$. Further improvements in computational efficiency are obtained using the frozen natural spinor (FNS) approximation to reduce the numbers of unoccupied spinors entering the correlated steps of the DIP-EOMCC calculations according to a well-defined occupation-number-based threshold. The resulting 4c-FNS-DIPEOMCC approaches are used to compute DIPs for the series of inert gas atoms from argon to radon as well as the vertical DIPs in Cl 2 , Br 2 , HBr, and HI, which have been experimentally examined in the past. We demonstrate that, when using complete basis set extrapolations and FNS truncation threshold of 10 −4.5 , the 4c-FNS-DIP-EOMCCSD(T)(ã)(4h-2p) calculations are capable of predicting DIPs in agreement with experimental data, improving upon their nonrelativistic and spin-free scalar-relativistic counterparts, particularly when examining DIPs characterized by stronger spin−orbit coupling effects.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Hong-Ou-Mandel interference with a coexisting clock using transceivers for synchronization over deployed fiber
Interference between independently generated photons is a key step towards distributing entanglement over long distances, but it requires synchronization between the distantly-located photon sources. Synchronizing the clocks of such photon sources using coexisting two-way classical optical communications over the same fiber that transports the quantum photonic signals is a promising approach for achieving photon-photon interference over long distances, enabling entanglement distribution for quantum networking using the deployed fiber infrastructure. Here, we demonstrate photon-photon interference by observing the Hong-Ou-Mandel dip between two distantly-located sources: a weak coherent-state source obtained by attenuating the output of a laser and a heralded single-photon source. We achieve a maximum dip visibility of 0.58 +/- 0.04 when the two sources are connected via 4.3 km of deployed fiber. Dip visibilities > 0.5 are nonclassical and a first step towards achieving teleportation over the deployed fiber infrastructure. In our experiment, the classical optical communication is achieved with - 21 dBm of optical signal launch power, which is used to synchronize the clocks in the two independent, distantly-located photon sources. The impact of spontaneous Raman scattering from the classical optical signals is mitigated by appropriate choice of the quantum- and classical-channel wavelengths. All equipment used in our experiment (the photon sources and the synchronization setup) is commercially available. Finally, our experiment represents a scalable approach to enabling practical quantum networking with commercial equipment and coexistence with classical communications in optical fiber.
47 OTHER INSTRUMENTATION↗
High-resolution spectroscopy of uranium laser-produced plasma using saturated absorption spectroscopy
High-resolution spectroscopy of laser ablation plumes or laser-produced plasmas (LPPs) is valuable for various applications, including measuring crowded spectral features, determining spectroscopic constants, characterizing plasmas, and performing isotopic analysis. However, various line broadening mechanisms in plasmas limit its use for several applications. Here, in this study, we present the use of saturated absorption spectroscopy (SAS) for Doppler-free linewidth analysis in a uranium LPP. We demonstrate that SAS is effective in obtaining Doppler-free Lamb dip profiles with linewidths on the order of ≤ 20 MHz. The effects of saturation on the Doppler-broadened absorption and Lamb dip profiles at different pressures and probe intensities are quantified, and their impact on measurements of plasma properties is discussed. Finally, we show that the linewidths of the Lamb dips can be used for quantitative estimates of pressure and natural broadening in the plasma.
Absorption spectroscopy↗
Performance of a dynamic single bubbler in single and two-phase immiscible liquids
Ensuring nonproliferation and safeguards of special nuclear materials (SNM) is a critical aspect of advancing the nuclear fuel cycle. Traditional bubbler systems used to estimate liquid levels and densities in nuclear recycling processes have limitations, particularly in harsh environments where dip-tube corrosion and buildup necessitate frequent maintenance and recalibration. This study explores the Dynamic Single Bubbler (DSB) method, which utilizes a single dip-tube attached to a linear actuator to estimate liquid properties dynamically. This approach is extended to estimate liquid-liquid interfaces in immiscible liquids and employs a linear regression method to reduce uncertainties and improve accuracy. The DSB method achieved density estimate uncertainties of less than 0.5% and surface level estimate uncertainties typically under 0.5%, across various fluids including water, acetone, methanol, mineral oil, glycerol, and aqueous salt solutions. Results indicate that the DSB method provides accurate and robust estimates of liquid density and surface levels with minimal maintenance and without the need for calibration. Additionally, the method's applicability to immiscible liquids and various dip-tube geometries was demonstrated, showing promise for widespread use in nuclear and other industrial applications.
98 - NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL↗
Electronic excitations and spin interactions in chromium trihalides from embedded many-body wavefunctions
Although chromium trihalides are widely regarded as a promising class of two-dimensional magnets for next-generation devices, an accurate description of their electronic structure and magnetic interactions has proven challenging to achieve. Here, we quantify electronic excitations and spin interactions in CrX 3 (X = Cl, Br, I) using embedded many-body wavefunction calculations and fully generalized spin Hamiltonians. We find that the three trihalides feature comparable d-shell excitations, consisting of a high-spin 4 A 2 ($t^3_{2g}$$e^0_g$) ground state lying 1.5–1.7 eV below the first excited state 4 T 2 ($t^2_{2g}$$e^1_g$). CrCl 3 exhibits a single-ion anisotropy A sia = - 0.02 meV, while the Cr spin-3/2 moments are ferromagnetically coupled through bilinear and biquadratic exchange interactions of J 1 = - 0.97 meV and J 2 = - 0.05 meV, respectively. The corresponding values for CrBr 3 and CrI 3 increase to A sia = -0.08 meV and A sia = - 0.12 meV for the single-ion anisotropy, J 1 = -1.21 meV, J 2 = -0.05 meV and J 1 = -1.38 meV, J 2 = -0.06 meV for the exchange couplings, respectively. We find that the overall magnetic anisotropy is defined by the interplay between A sia and A dip due to magnetic dipole–dipole interaction that favors in-plane orientation of magnetic moments in ferromagnetic monolayers and bulk layered magnets. The competition between the two contributions sets CrCl 3 and CrI 3 as the easy-plane (A sia + A dip >0) and easy-axis (A sia + A dip <0) ferromagnets, respectively. The differences between the magnets trace back to the atomic radii of the halogen ligands and the magnitude of spin–orbit coupling. Our findings are in excellent agreement with recent experiments, thus providing reference values for the fundamental interactions in chromium trihalides.
36 MATERIALS SCIENCE↗
XRISM high-resolution X-ray spectroscopy of Cygnus X-1: Highly ionized iron absorption structures
We present the first high-resolution X-ray spectral analysis of Cygnus X-1 using XRISM. The observation wa3s carried out from 2024 April 7 to 10, covering the orbital phase range 0.65–0.17 during its low/hard state. Taking advantage of the exceptional energy resolution of the Resolve instrument, we examined highly ionized iron absorption lines and characterized the ionization states, column densities, and line-of-sight velocities of the absorbing plasma. Spectral analysis revealed an ionization parameter of $\xi \sim 3$, column densities of a few $\times 10^{21}$ cm$^{-2}$, and a blueshifted velocity of $\sim$100 km s$^{-1}$. The observation was divided into two phases: before and after orbital phase $\phi _{\rm {orb}} = 0.9$, corresponding to non-dipping and dipping intervals. While only weak absorption features were present before $\phi _{\rm {orb}} = 0.9$, strong absorption by He-like and H-like Fe appeared during the dipping phase. We measured equivalent widths of 2.3, 0.4, and 1.2 eV for He-like Fe K$\alpha$ and H-like Ly$\alpha _1$ and Ly$\alpha _2$, respectively—demonstrating the capability of XRISM Resolve to securely detect narrow absorption features of only a few eV. These measurements trace the motion of the absorbing material and offer insight into the kinematics and spatial distribution of the wind in the vicinity of the black hole. These findings enhance our understanding of wind-fed accretion in Cygnus X-1 and highlight the importance of continued high-resolution X-ray observations to further constrain the physical properties of winds and accretion flows in high-mass X-ray binaries.
Astronomy and AstroPhysics↗
Signatures of enhanced superconducting properties in niobium cavities
Superconducting radio-frequency (SRF) niobium cavities are critical for modern particle accelerators, as well as for advancing superconducting quantum systems and enabling ultrasensitive searches for new physics. In this work, we report a systematic observation of an anomalous frequency dip in Nb cavities, which occurs at temperatures just below the critical temperature (𝑇𝑐 ), indicative of enhanced superconducting properties at 𝑇 ≪ 𝑇 𝑐 . The magnitude of this dip is strongly correlated with the rf surface resistance, impurity distribution near the surface, and 𝑇𝑐 . Additionally, we report measurements of the coherence peak in the ac conductivity of two Nb SRF cavities processed using distinct methods. By comparing recent theories developed to model this experimental data, we show that the frequency-dip feature, larger coherence peak height, and reduction in the temperature-dependent surface resistance with rf current occur at minimal but finite levels of disorder.
43 PARTICLE ACCELERATORS↗
Out-of-plane magnetic phase diagram of the Kitaev quantum magnet Na 2 Co 2 TeO 6
We have investigated the magnetic properties and mapped out the phase diagram of the honeycomb magnet Na 2 Co 2 TeO 6 with Co 3d 7 in out-of-plane magnetic fields. This material has previously been proposed to show nearest-neighbor Kitaev interactions between Co spins and maybe even Kitaev quantum spin liquid behavior in high fields. At 0.01 T, we observe a thermal phase transition at T N = 27K, transitioning from a paramagnetic state to a canonical ferrimagnetic state. Upon increasing the magnetic field, a spin-floplike phase transition occurred before saturation of J = 1/2 between 10 K and T N . Below 10 K, a peak-dip-peak structure emerges between 10 and 17 T in the magnetic susceptibility (dM/dH) before the magnetic saturation, reminiscent of magnetization plateau behavior. The measurement of the magnetocaloric effect also shows dip-peak-dip behavior in this field range. Our data can be explained by an XXZ model with a single ion anisotropy and possibly small Kitaev and Γ exchange interactions. Finally, we also determined the magnetization saturation field that helps constrain the energy scale of the exchange interactions.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Rupture Model of the 5 April 2024 Tewksbury, New Jersey, Earthquake Based on Regional Lg -Wave Data
On 5 April 2024, an earthquake of magnitude 4.8 occurred in Tewksbury, New Jersey. It was the largest instrumentally recorded event since 1900 in New Jersey and southern New York. Millions of people around New York City, ~65 km east–northeast of Tewksbury, felt the shaking from the mainshock, but the epicentral area experienced no known significant property damages. We determine the focal mechanism, which is oblique faulting, and retrieve the Lg–wave relative source time functions (RSTFs) from the stations at regional distances to understand rupture processes and ground motions. Our fault–slip models well explain azimuthal variations of the RSTFs. The models show the rupture propagating toward the east–northeast (~50° to 60°), not along the fault strike. The slip distribution on the nodal plane striking north and dipping to the east shows a slip area of 1.1 km radius with the rupture propagating down–dip. The down–dip rupture may account for the observed lack of strong shaking in the epicentral area.
58 GEOSCIENCES↗
Bubbler Design Updates for Nuclear Safeguards Applications
The accurate monitoring of molten salt compositions is crucial for nuclear safeguards, particularly in the context of mixtures used in molten salt reactors as well as pyroprocessing. However, for nuclear material accountancy in actinide bearing molten salts, the solution volume is also needed to determine the total mass of material in the salt. This study explores the effectiveness of two bubbler configurations, triple and single, for density and level measurements within these molten salts for salt volume determinations. The triple bubbler system utilizes three gas dip-tubes strategically positioned at different heights within the molten salt. With this design, the molten salt level, density, and surface tension can be determined simultaneously. The single bubbler configuration, on the other hand, relies on a dynamic single dip-tube to determine the density and level. Both configurations will be tested in aqueous solutions as well as in LiCl-KCl and NaCl-MgCl2 molten salts between 450°C and 750°C. Dip-tube diameters and bubbler inferences will also be explored. A new bubbler is being designed based on results. The findings of this study will provide valuable insights into the optimal bubbler design and configuration for ensuring representative sampling of molten salt compositions in nuclear safeguards applications. This will contribute to enhanced accountability and transparency in the monitoring of actinide bearing molten salts, promoting nuclear safeguards objectives.
11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Unconventional Anomalous Hall Effect Driven by Self‐Intercalation in Covalent 2D Magnet Cr 2 Te 3
Covalent 2D magnets such as Cr 2 Te 3 , which feature self-intercalated magnetic cations located between monolayers of transition-metal dichalcogenide material, offer a unique platform for controlling magnetic order and spin texture, enabling new potential applications for spintronic devices. Here, it is demonstrated that the unconventional anomalous Hall effect (AHE) in Cr 2 Te 3 , characterized by additional humps and dips near the coercive field in AHE hysteresis, originates from an intrinsic mechanism dictated by the self-intercalation. This mechanism is distinctly different from previously proposed mechanisms such as topological Hall effect, or two-channel AHE arising from spatial inhomogeneities. Crucially, multiple Weyl-like nodes emerge in the electronic band structure due to strong spin-orbit coupling, whose positions relative to the Fermi level is sensitively modulated by the canting angles of the self-intercalated Cr cations. These nodes contribute strongly to the Berry curvature and AHE conductivity. This component competes with the contribution from bands that are less affected by the self-intercalation, resulting in a sign change in AHE with temperature and the emergence of additional humps and dips. The findings provide compelling evidence for the intrinsic origin of the unconventional AHE in Cr 2 Te 3 and further establish self-intercalation as a control knob for engineering AHE in complex magnets.
2D magnets↗
3D seismic imaging of a fracture damage zone controlling reservoir compartmentalization at the Raft River EGS using multi-azimuth walkaway VSP
Accurate imaging of steeply dipping fracture zones in crystalline enhanced geothermal systems (EGS) is critical for constraining permeability architecture and guiding stimulation design. However, such structures remain poorly resolved by conventional surface seismic methods. We present a fully three-dimensional (3D) elastic-waveform inversion-migration workflow applied to multi-azimuth walkaway vertical seismic profiling (VSP) data acquired in a deviated borehole at the Raft River EGS. The workflow integrates first-arrival traveltime tomography, multi-scale elastic waveform inversion (EWI), and elastic least-squares reverse-time migration (ELSRTM) to recover high-resolution compressional-and shear-wave velocity models and to image structural discontinuities in the crystalline basement. The results reveal a laterally continuous low-velocity anomaly, with shear-wave velocity reductions of 25-30%, consistent with fractureinduced mechanical weakening. Two steeply dipping discontinuities bound a 50-80 m wide fracture damage zone. Independent constraints from microseismic clustering and geochemical compartmentalization corroborate the geometry and structural significance of this feature. Synthetic modeling further confirms that structures of this scale are resolvable (~30 m). These findings indicate that the Narrows structure is a distributed fracture damage zone rather than a discrete fault plane. By resolving fracture-zone geometry at the tens-of-meters scale using a single borehole, this workflow provides a practical and transferable approach for improving structural characterization, reducing uncertainty in permeability architecture, and supporting reservoir modeling and stimulation design in fractured crystalline EGS reservoirs.
58 GEOSCIENCES↗
Inferring fracture dilation and shear slip from surface deformation utilising trained surrogate models
An important task in energy and CO 2 storage (sequestration) in the subsurface is to verify that the surrounding fractures and faults are not activated, acting as leakage pathways. This is achievable through effective and efficient Measurement, Monitoring and Verification (MMV) plans. In this work, two surrogate models are trained to captures dilation (opening) and shear deformation of fractures, and the associated surface deformation. The trained surrogate model, based on conditional Generative-Adversarial Networks (cGAN) receives fracture apertures from dilational fractures together with fracture slips from shear fractures and predicts the combined surface deformation. An inversion algorithm based on Bayesian framework is proposed to identify the geometry of both types of fractures, as well as volume of dilational fractures and deformation moment induced by shear fractures, all from the measured surface deformation data. The inversion algorithm utilises the Differential Evolution (DE) optimisation technique that has the superior performance in finding the global minimum of cost function. The proposed surrogate-assisted inversion successfully inferred the unknown dip, dip direction and the volume of the dilational fractures as well as the induced deformation moment in shear fractures. The model was further tested for the inversion of a field hydraulic fracturing tilt dataset applying different scenarios with varying unknowns to show the model's performance, as well as incorporating shear deformation for better match with the observed data.
Dilation and shear↗
Complex spin structure in co-trimer-chain Li 2 Co 3 Se 4 O 12
Complex magnetic materials are extremely attractive for revealing unconventional spin states and novel magnetic excitations. Here, we report the structural, thermodynamic, and magnetic properties of a novel magnetic material Li 2 Co 3 Se 4 O 12 based on x-ray and neutron diffraction, specific heat, magnetization, and x-ray photoelectron spectroscopy measurements. X-ray and neutron diffraction refinements reveal two Co sites Co (1) and Co (2) even though both are in the octahedral environment. While they are not connected along the b and c directions, these octahedra are edge-shared forming the Co (2) – Co (1) – Co (2) trimer chain along the a direction. The magnetic susceptibility exhibits the Curie-Weiss (CW) temperature dependence at high temperatures (above ∼50 K) with the negative CW temperature, a dip centered at T ⁎ ∼ 8.0 K, and an antiferromagnetic transition at T N = 3.3 K. The specific heat confirms that there is a phase transition at T N and a hump at T ⁎ . The long-range magnetic transition at T N implies that, in addition to the intra-chain interaction, there is strong inter-chain interaction, which is likely due to polarized SeO 3 bridging between chains. Single crystal neutron diffraction refinement reveals a complex magnetic structure with the angle between Co (1) and Co (2) moments ∼105°. Within the Co (2) – Co (1) – Co (2) trimer, two Co (2) moments are parallelly aligned. Surprisingly, the Co (1) moment (1.92μB) is only half of the Co (2) moment (3.96μB). There is likely the spin-state change for Co (1) from the high-spin state at T > T ⁎ to the low-spin state at T < T ⁎ , causing a dip in the magnetic susceptibility and a hump in the specific heat. When the magnetic field is applied, multiple metamagnetic transitions are found in all directions, implying field-driven magnetic excitations. Our results demonstrate rich magnetic properties of Li 2 Co 3 Se 4 O 12 that are sensitive to the external stimuli such as the magnetic field.
Antiferromagnetism↗
Pu(IV) quantification via visible–near-infrared absorption spectroscopy: tackling interferences using D-optimal design and partial least squares
Here, this study presents a novel analytical approach for quantifying Pu(IV) in glove box environments using fiber-optic-based visible–near-infrared absorption spectroscopy in combination with partial least squares regression (PLSR) and design of experiments. The method addresses significant challenges posed by overlapping spectral features arising from Nd(III), which is a common fission product impurity, and the speciation variability of Pu(IV) nitrato complexes in HNO 3 concentrations ranging from 2.5 to 11 M. A curated training set consisting of data from 20 samples was developed via D-optimal design to enable robust PLSR model calibration for Pu(IV) using the near-infrared band near 1050 nm. The training set was acquired from samples in cuvettes with a 1-cm path length and was used to build the PLSR model. The robustness of the model was validated with data collected using a dip probe with a 1-cm path length and varying Pu(IV) concentrations. The strong performance of the model indicates good model transfer from cuvette to dip probe and highlights the potential for in situ measurements and online monitoring of reactions in a crystallization reactor vessel. The results demonstrate that this combined spectroscopic and chemometric approach can accurately and simultaneously quantify Pu(IV) and HNO 3 , thereby offering a promising tool for real-time monitoring in process environments.
Actinide↗
Deposition-Dependent Coverage and Performance of Phosphonic Acid Interface Modifiers in Halide Perovskite Optoelectronics
In this work, we study the effect of various deposition methods for phosphonic acid interface modifiers commonly pursued as self-assembled monolayers in high-performance metal halide perovskite photovoltaics and light-emitting diodes. We compare the deposition of (2-(3,6-diiodo-9H-carbazol-9-yl)ethyl)phosphonic acid onto indium tin oxide (ITO) bottom contacts by varying three parameters: the method of deposition, specifically spin coating or prolonged dip coating; ITO surface treatment via HCl/FeCl3 etching; and use in combination with a second modifier, 1,6-hexylenediphosphonic acid. We demonstrate that varying these modification protocols can impact time-resolved photoluminescence carrier lifetimes and quasi-Fermi level splitting of perovskite films deposited onto the phosphonic acid-modified ITO. Ultraviolet photoelectron spectroscopy shows an increase in the effective work function after phosphonic acid modification and clear evidence for photoemission from carbazole functional groups at the ITO surface. We used X-ray photoelectron spectroscopy to probe differences in phosphonic acid coverage on the metal oxide contact and show that perovskite samples grown on ITO with the highest phosphonic acid coverage exhibit the longest carrier lifetimes. Finally, we establish that device performance follows these same trends. These results indicate that the reactivity, heterogeneity, and composition of the bottom contact help to control recombination rates and therefore power conversion efficiencies. ITO etching, prolonged deposition times for phosphonic acids via dip coating, and the use of a secondary, more hydrophilic bisphosphonic acid all contribute to improvements in surface coverage, carrier lifetime, and device efficiency. Furthermore, these improvements each have a positive impact, and we achieve the best results when all three strategies are implemented.
contact engineering↗
Prediction of Complex Observed Shear Wave Splitting Patterns at Ryukyu Subduction Zone Using a Strong Intra-Slab Anisotropy Model
Complex shear wave splitting (SWS) patterns in subduction zones are often interpreted geodynamically as resulting from complex mantle flow; however, this may not always be necessary. We analyzed 7,093 high-quality SWS measurements from teleseismic S waves recorded by Hi-net stations across the Ryukyu arc in Japan. Our findings show a systematic rotation of the fast S polarization from trench-parallel to trench-perpendicular depending on the earthquake backazimuth. For the same earthquake, the measured splitting patterns also vary spatially across the southwest Japan. Using full-wave seismic modeling, we showed that a dipping slab with ~30% shear anisotropy of the tilted transverse isotropy (TTI) type, with a symmetry axis perpendicular to the slab interface, can predict the observed delay times and polarization rotation. Our results highlight the importance of considering dipping anisotropic slabs in interpreting SWS at subduction zones.
58 GEOSCIENCES↗