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DOE OSTI2024

Identifying Topological Defects in Lamellar Phases through Contour Analysis of Complex Wave Fields

Lamellar phases frequently contain structural imperfections that significantly affect their behaviors and properties. Our previous research successfully reconstructed real-space configurations of defective lamellar phases from diffuse scattering patterns, indicating the presence of phase vortices as a potential method for identifying topological defects disrupting the smectic ordering. Here, this report presents a mathematical framework using regularized wave fields to represent defective lamellar structures in real space. Phase singularities, resulting from the interference of random waves and indicating lamellar order disruption, are identified through a contour integral. These wave fields, derived from coherent scattering in reciprocal space, were validated via computational benchmarks analyzing small-angle neutron scattering data from AOT surfactant solutions, facilitating further statistical analysis of the defects. Our study highlights the potential to extract meaningful information about topological defects in lyotropic phases by inversely analyzing experimentally measured two-point static correlations. Our method allows for detailed structural analysis of various lyotropic phases, both particulate and nonparticulate, in their quiescent states and facilitates quantitative investigation of defects’ role in phase transitions. By integrating small-angle scattering, deep learning, and vortex tangle analysis, our comprehensive approach shows promise in addressing complex challenges in the structural analysis of soft matter systems.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Microstructural Evolution of Steel During Magnetic Field-Assisted Processing

Advancing magnetic field-assisted processing, as an energy-efficient method for tailoring steel microstructures, requires a thorough understanding of how the high magnetic field impacts microstructural evolution, particularly its effect on prior austenite grain structures. The current investigation of a near-eutectoid composition, Fe-C alloy, uses electron backscatter diffraction to examine the morphology and orientation of martensite and pearlite microstructures, and to reconstruct the parent austenite microstructures present during equivalent heating under varied magnetic field strengths (0-T, 2-T, 5-T, and 9-T). It was observed that the magnetic field has a negligible effect on martensite lath/block width, slightly decreases prior austenite grain size, and increases the fraction of austenite grains with annealing twins. Additionally, the magnetic field increases the phase fraction of proeutectoid ferrite but has a negligible effect on pearlite block size and the distribution of boundary misorientation angles. No preferred texture was induced by the magnetic field, regardless of the applied field direction, in the proeutectoid ferrite phase or the martensite and prior austenite microstructures. Furthermore, the observed results contradict previous literature, and the differences are discussed.

Magnetic Materials↗

DOE OSTI2024

General guide concepts for compact, high-brilliance neutron moderators

The trend in neutron sciences is toward integrating compact, high-brightness moderators into new or upgraded facilities. Transporting neutrons from the source to the sample position with a phase-space distribution tailored to specific requirements is crucial to leverage high source brilliance. Here we have investigated four guide concepts using Monte Carlo ray tracing simulations: Montel beamline with nested Kirkpatrick–Baez mirrors, curved-tapered beamline with a bender and straight sections, straight-elliptical beamline, and curved-elliptical beamline. The straight-elliptical (curved-elliptical) beamline features two half-ellipse guides connected by a straight (non-straight) guide section. The neutron transport efficiency and phase space homogeneity have been quantitatively compared. Our results show that the straight-elliptical beamline performs best because of few neutron bounces on the guide surface with small reflection angles, minimizing flux loss. The Montel beamline provides the best spatial confinement of neutrons within the desired region; however, there is a high thermal-neutron loss due to large reflection angles. The curved-tapered beamline suffers from significant flux loss due to high bounces, and it shows a non-uniform angular distribution related to broad ranges of bounces and reflection angles. The non-straight guide section of the curved-elliptical beamline increases the phase space inhomogeneity, leading to a spatially non-uniform beam profile. The results apply to general neutron instruments that require transporting thermal and cold neutrons from a compact, high-brilliance moderator to the sample location with a moderate phase-space volume.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Optical evolution of AT 2024wpp: the high-velocity outflows in Cow-like transients are consistent with high spherical symmetry

ABSTRACT We present the analysis of optical/near-infrared (NIR) data and host galaxy properties of a bright, extremely rapidly evolving transient, AT 2024wpp, which resembles the enigmatic AT 2018cow. AT 2024wpp rose to a peak brightness of $c=-21.9$ mag in 4.3 d and remained above the half-maximum brightness for only 6.7 d. The blackbody fits to the photometry show that the event remained persistently hot ($T\gtrsim 20\, 000$ K) with a rapidly receding photosphere ($v\sim 11\, 500$ km s$^{-1}$), similarly to AT 2018cow albeit with a several times larger photosphere. $JH$ photometry reveals an NIR excess over the thermal emission at $\sim +20$ d, indicating a presence of an additional component. The spectra are consistent with blackbody emission throughout our spectral sequence ending at $+21.9$ d, showing a tentative, very broad emission feature at $\sim 5500$ Å – implying that the optical photosphere is likely within a near-relativistic outflow. Furthermore, reports of strong X-ray and radio emission cement the nature of AT 2024wpp as a likely Cow-like transient. AT 2024wpp is the second event of the class with optical polarimetry. Our $BVRI$ observations obtained from $+6.1$ to $+14.4$ d show a low polarization of $P\lesssim 0.5$ per cent across all bands, similar to AT 2018cow that was consistent with $P\sim 0$ per cent during the same outflow-driven phase. In the absence of evidence for a preferential viewing angle, it is unlikely that both events would have shown low polarization in the case that their photospheres were aspherical. As such, we conclude that the near-relativistic outflows launched in these events are likely highly spherical, but polarimetric observations of further events are crucial to constrain their ejecta geometry and stratification in detail.

Pursiainen, M.↗

DOE OSTI2026

Ferrimagnetic Order in Tetragonal Antiperovskite Mn3GeN

The crystal and magnetic structures of the nitride antiperovskite M⁢n3⁢GeN reveals ferrimagnetic order stemming from a distorted kagome-derived lattice of the Mn atoms. Polycrystalline M⁢n3⁢GeN was synthesized via a solid-state reaction and characterized using neutron powder diffraction, dc magnetometry, and first-principles calculations. Rietveld refinement reveals near-stoichiometric composition (M⁢n3⁢Ge⁢N0.992⁢(7)) adopting a tetragonal 𝐼⁢4/𝑚⁢𝑐⁢𝑚 structure at 𝑇=500K and below, featuring axially distorted and tilted [NM⁢n6] octahedra that result in a buckled Mn kagome lattice. On heating, the tetragonal distortion and octahedral tilt angle decrease continuously before transitioning to the cubic 𝑃⁢𝑚⁢3⁢𝑚 antiperovskite phase at 𝑇≈527K. Neutron diffraction and magnetometry together reveal noncollinear ferrimagnetic ordering. For 30K≤𝑇≤500K, the magnetic structure is described by magnetic space group 𝐼⁢𝑏⁢𝑎′⁢𝑚′ (72.544), with inequivalent Mn1 and Mn2 sublattices that couple antiferromagnetically to yield a net moment. Density-functional theory-based calculations show that the different local moments originate from the bandwidths associated with distinct Mn–N bond lengths. Temperature-dependent refinements reveal distinct differences in the thermal disordering profiles of the Mn1 and Mn2 sublattices. These findings reveal a subtlety in the magnetic and structural behavior of M⁢n3⁢GeN, highlighting the interplay between structural distortions, magnetic ordering, and electronic structure in kagome-derived antiperovskite materials.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Event Selections in the NOvA 2024 Analysis

The NuMI Off-axis $\nu_e$ Experiment (NOvA) is a long-baseline neutrino oscillation experiment that studies a neutrino beam produced by the Neutrinos at the Main Injector (NuMI) facility at Fermilab to constrain the PNFS mixing angles, the neutrino mass hierarchy, and the CP-violating phase $\delta_{CP}$. These parameters are extracted by comparing the spectra of muon neutrinos and electron neutrinos measured at the near and far detectors, using an extrapolation of the Near Detector spectra. Accurate event selection is critical to this process, as only interactions with well-reconstructed energies and interaction types should be included in the oscillation analysis to reduce systematic uncertainties. In this work, we describe the selection criteria used for muon and electron neutrinos in the Near and Far Detector. We demonstrate the effectiveness of the criteria by examining the efficiency and purity of the event selections as well as their impact on key variables used in the oscillation analysis.

Chen, Hanyi [Indiana U.]↗

DOE OSTI2024

Quantification of carbon phases in detonation soot

Soot is a powdery substance composed of solid residues that results from the incomplete combustion of hydrocarbons. Soot holds valuable information because its chemical makeup can provide answers for condensed carbon kinetics in HE detonations by quantitively identifying what carbon species remain. For carbon-rich explosives, this is particularly important because carbon kinetics is a major pathway for energy release. Current efforts have been able to qualitatively identify the carbons and confirm their presence, but we haven’t been able to successfully quantify them. For example, small angle x-ray diffraction has been fielded to qualitatively identify carbon phases as a function of time during a detonation (work by Trevor Willey and Mike Nielson). Other work (ice experiments) has focused on measuring the “effective” static cold curve equation of state (EOS) of the recovered carbon soots.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Nanometric modulations of the magnetic structure of the element Nd

The rare earth neodymium arguably exhibits the most complex magnetic ordering and series of magnetic phase transitions of the elements. Here we report the results of small-angle neutron scattering (SANS) measurements as a function of temperature and applied magnetic field to study magnetic correlations on nanometer length scales in Nd. We support these results with additional neutron diffraction, thermodynamic and synchrotron x-ray measurements. The SANS measurements reveal the presence of modulation vectors characterizing the ordered spin configuration which exhibit changes in magnitude and direction that are phase dependent. Between 5.9 and 7.6 K an additional modulation vector is observed with magnitude Q = 0.12 Å -1 . This scattering appears to originate from order of the Nd layers which contain a center of inversion. Tracking this modulation vector as a function of magnetic field indicates a phase boundary at ≈1 T. The modulation vectors observed in this study establish the presence of nanometer length scale spin textures which are likely stabilized by frustrated Ruderman–Kittel–Kasuya–Yosida (RKKY) interactions.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Observation of stacking engineered magnetic phase transitions within moiré supercells of twisted van der Waals magnets

Abstract Recent demonstrations of moiré magnetism, featuring exotic phases with noncollinear spin order in the twisted van der Waals (vdW) magnet chromium triiodide CrI 3 , have highlighted the potential of twist engineering of magnetic (vdW) materials. However, the local magnetic interactions, spin dynamics, and magnetic phase transitions within and across individual moiré supercells remain elusive. Taking advantage of a scanning single-spin magnetometry platform, here we report observation of two distinct magnetic phase transitions with separate critical temperatures within a moiré supercell of small-angle twisted double trilayer CrI 3 . By measuring temperature-dependent spin fluctuations at the coexisting ferromagnetic and antiferromagnetic regions in twisted CrI 3 , we explicitly show that the Curie temperature of the ferromagnetic state is higher than the Néel temperature of the antiferromagnetic one by ~10 K. Our mean-field calculations attribute such a spatial and thermodynamic phase separation to the stacking order modulated interlayer exchange coupling at the twisted interface of moiré superlattices.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Quantum Anomalous Hall Crystal at Fractional Filling of Moiré Superlattices

We predict the emergence of a state of matter with intertwined ferromagnetism, charge order, and topology in fractionally filled moiré superlattice bands. Remarkably, these quantum anomalous Hall crystals exhibit a quantized integer Hall conductance that is different than expected from the filling and Chern number of the band. Microscopic calculations show that this phase is robustly favored at half-filling (𝜈 =1/2) at larger twist angles of the twisted semiconductor bilayer 𝑡⁢MoTe 2 .

Exact diagonalization↗

DOE OSTI2026

Side-Chain Nanophase Separation Broadens the Double-Gyroid Stability Window in PS–PODMA Diblock Copolymers

Expanding access to bicontinuous network phases in block copolymers remains an important challenge because the double gyroid (DG) phase is usually stable only within a narrow composition window in conventional diblock copolymers. Here, we show that poly(styrene-block-octadecyl methacrylate) (PS-b-PODMA) exhibits an unusually broad DG window. Small-angle X-ray scattering measurements across a wide composition range reveal lamellar and hexagonally packed cylindrical phases at higher polystyrene fractions. In contrast, the DG phase appears over 0.22 ≤ fPS ≤ 0.35, with DG/BCC and DG/HEX coexistence near fPS = 0.18 and 0.40, respectively. This broad DG window is much wider than those reported for neat diblock copolymers and is not readily explained by conformational asymmetry alone. Wide-angle X-ray scattering detects a characteristic signature of nanophase separation within the PODMA-rich domains, indicating that side-chain ordering introduces an additional internal length scale. These results suggest that hierarchical side-chain nanophase separation modifies packing frustration and curvature selection, thereby broadening DG stability and providing a new molecular design strategy for stabilizing complex network morphologies.

Seko, Tamio↗

DOE OSTI2025

Skyrmion-skyrmionium phase separation and laning transitions via spin-orbit torque currents

Many driven binary systems can exhibit laning transitions when the two species have different mobilities, such as colloidal particles with opposite charges in electric fields. Another example is pedestrian or active-matter systems, where particles moving in opposite directions form a phase-separated state that enhances the overall mobility. In this work, we use atomistic simulations to demonstrate that mixtures of skyrmions and skyrmioniums also exhibit pattern formation and laning transitions. Skyrmions move more slowly and at a finite skyrmion Hall angle compared to skyrmioniums, which move faster and without a skyrmion Hall effect. At low drives, the system forms a partially jammed phase where the skyrmioniums are dragged by the surrounding skyrmions, resulting in a finite angle of motion for the skyrmioniums. At higher drives, the system transitions into a laned state, but unlike colloidal systems, the lanes in the skyrmion-skyrmionium mixture are tilted relative to the driving direction due to the intrinsic skyrmion Hall angle. In the laned state, the skyrmionium angle of motion is reversed when it aligns with the tilted lane structure. At even higher drives, the skyrmioniums collapse into skyrmions. Below a critical skyrmion density, both textures can move independently with few collisions, but above this density, the laning state disappears entirely, and the system transitions to a skyrmion-only state. We map out the velocity and Hall responses of the different textures and identify three distinct phases: partially jammed, laned, and skyrmion-only moving crystal states. In conclusion, we compare our results to recent observations of tilted laning phases in pedestrian flows, where chiral symmetry breaking in the particle interactions leads to similar behavior.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Unraveling Anion-Specific Inhibition and Structural Modulation of Gibbsite Crystallization: Implications for Aluminum Mobility in Natural and Engineered Systems

Gibbsite (α-Al(OH) 3 , sometimes designated as γ-Al(OH) 3 ) plays a crucial role in the chemistry of aluminum in the environment and industry, yet its crystallization behavior under multianionic conditions is not well understood. Here, in this study, we investigate how six common anions─fluoride (F – ), chloride (Cl – ), bromide (Br – ), nitrate (NO 3 – ), sulfate (SO 4 2– ), and phosphate (PO 4 3– )─influence the mineralization, structure, and morphology of gibbsite at room temperature. The results show that PO 4 3– , SO 4 2– , and F – strongly inhibit gibbsite formation, stabilizing amorphous or alternative crystalline phases such as nordstrandite and cryolite. On the contrary, Cl – , Br – , and NO 3 – allow partial to complete crystallization of gibbsite without significant morphological changes. Solid-state 27 Al magic angle spinning nuclear magnetic resonance provides crucial insight into aluminum coordination environments in both crystalline and amorphous phases, distinguishing between octahedral, pentahedral, and tetrahedral Al species. The density functional theory calculations reveal a direct correlation between the Al–X bond strength and the inhibition of crystallization, following the order: PO 4 3– > SO 4 2– > F – > NO 3 – > Cl – > Br – . These findings offer molecular-scale insights into anion-specific effects on aluminum hydroxide nucleation and transformation, improving the understanding of gibbsite formation and aluminum cycling in soils, phosphate retention, contaminant immobilization, and waste treatment strategies in nuclear and industrial settings. These insights can also guide the controlled synthesis of aluminum hydroxide materials with tailored crystallinity and morphology via liquid-assisted methods.

Anions effect↗

DOE OSTI2024

Latest Three Flavor Neutrino Oscillation Results from the NOvA Experiment.

NOvA, is a two-detector, long-baseline neutrino oscillation experiment located at Fermilab, Batavia, IL, USA. It is designed primarily to constrain neutrino oscillation parameters such as the atmospheric mass squared splitting, $\Delta m^2_{32}$, the mixing angle, $\theta_{23}$, neutrino mass hierachy, and the CP-violating phase, $\delta_{CP}$, using $\nu_\mu \ (\bar{\nu}_\mu)$ disappearance and $\nu_e \ (\bar{\nu}_e)$ appearance data. NOvA receives a high purity instense beam of neutrinos and anti-neutrinos from Fermilab's Neutrinos at Main Injector (NuMI) beamline. The NOvA near detector (ND) observes un-oscillated $\nu_\mu \ (\bar{\nu}_\mu)$ and beam $\nu_e \ (\bar{\nu}_e)$ events, while the far detector (FD), which is situated 810 km away from the near detector, records un-oscillated $\nu_\mu \ (\bar{\nu}_\mu)$ and oscillated $\nu_e \ (\bar{\nu}_e)$ events. The best fit values of the oscillation parameters are extracted by performing a joint fit of the far detector predicted events to data from $\nu_\mu \to \nu_\mu$, $\bar{\nu}_\mu \to \bar{\nu}_\mu$, $\nu_\mu \to \nu_e$, and $\bar{\nu}_\mu \to \bar{\nu}_e$ oscillation channels. We present latest joint fit results from NOvA based on a neutrino-beam exposure of $27.24 \times 10^{20}$ POT and an anti-neutrino beam exposure of $12.55\times 10^{20}$ POT and improved simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Three-Flavor Neutrino Oscillations at NOvA

NOvA, is a two-detector, long-baseline neutrino oscillation experiment located at Fermilab, Batavia, IL, USA. It is designed primarily to constrain neutrino oscillation parameters such as the atmospheric mass squared splitting, $\Delta m^2_{32}$, the mixing angle, $\theta_{23}$, neutrino mass hierachy, and the CP-violating phase, $\delta_{CP}$, using $\nu_\mu \ (\bar{\nu}_\mu)$ disappearance and $\nu_e \ (\bar{\nu}_e)$ appearance data. NOvA receives a high purity 900 KW instense beam of neutrinos and anti-neutrinos from Fermilab's Neutrinos at Main Injector (NuMI) beamline. NOvA used functionally identical finely granulated liquid scintillation detectors, both situated 14.6 mrad off-axis to the beam direction. The NOvA near detector observes un-oscillated $\nu_\mu \ (\bar{\nu}_\mu)$ and beam $\nu_e \ (\bar{\nu}_e)$ events, while the far detector, which is situated 809 km away from the near detector, records un-oscillated $\nu_\mu \ (\bar{\nu}_\mu)$ and oscillated $\nu_e \ (\bar{\nu}_e)$ events. We will discuss the neutrino oscillation analysis strategy at NOvA and the latest three-flavor oscillation results from 10 years of NOvA data in this talk.

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

Tests of LBNF Beam Monitor Prototypes for the DUNE Experiment

The Deep Underground Neutrino Experiment (DUNE) is a long-baseline on-axis neutrino oscillation experiment that will use a beam from the Long-Baseline Neutrino Facility (LBNF) to constrain the mixing angle $$\theta_{23}$, the neutrino mass hierarchy, and the CP violating phase $\delta_{CP}$. To ensure the beam remains on-axis, the LBNF beamline will employ two ionization chamber systems: the Hadron Alignment Detection System (HADeS) for primary beam alignment and the Muon Monitoring System (MuMS) for continuous beam monitoring and neutrino flux estimation. We have constructed prototypes for these systems at the University of Texas at Austin based on a design currently used in the NuMI hadron monitor. These prototypes were tested with a radioactive source and in beam tests at Fermilab's Irradiation Test Area. We present the results of these studies and discuss ongoing efforts to optimize the HADeS and MuMS designs.

Murthy, Chinmay↗

DOE OSTI2024

Latest Three Flavor Neutrino Oscillation Results from the NOvA Experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Dynamics of nanoscale phase decomposition in laser ablation

Abstract Laser ablation is a process that bears both fundamental physics interest and has wide industrial applications. For decades, the lack of probes on the relevant time and length scales has prevented access to the highly nonequilibrium phase decomposition processes triggered by laser excitation. In this study, a close integration of time-resolved probing by intense femtosecond X-ray pulses with large-scale atomistic modeling has yielded unique insights into the ablation dynamics of thin gold films irradiated by femtosecond laser pulses. The emergence and growth of nanoscale density heterogeneities in the expanding ablation plume, predicted in the simulations, are mapped to the rapid evolution of distinct small angle diffraction features. This mapping enables identification of the characteristic signatures of different phase decomposition processes occurring simultaneously in the plume, which are driven by photomechanical and thermodynamic driving forces. Beyond the specific insights into the ablation phenomenon, this study demonstrates the power of joint X-ray probing and atomistic modeling of material dynamics under extreme conditions of thermal and mechanical nonequilibrium.

Sun, Yanwen (ORCID:0000000159266565)↗