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DOE OSTI2019

Multireference Ab Initio Studies of Magnetic Properties of Terbium-Based Single-Molecule Magnets

Here, we explore how different chemical environments influence magnetic properties of terbium(III) (Tb)-based single-molecule magnets (SMMs), using first-principles relativistic multireference methods. Recent experiments showed that Tb-based SMMs can have exceptionally large magnetic anisotropy and that they can be used for experimental realization of quantum information applications, with a judicious choice of chemical environment. Here, we perform complete active space self-consistent field calculations including relativistic spin–orbit interaction for representative Tb-based SMMs such as TbPc 2 and TbPcNc in three charge states. We calculate the low-energy electronic structure from which we compute the Tb crystal-field (CF) parameters and construct an effective pseudospin Hamiltonian. Our calculations show that the ligand type and fine points of molecular geometry do not affect the gap between the ground-state and first-excited doublets, whereas the latter varies weakly with oxidation number. On the other hand, higher-energy levels have a strong dependence on all these characteristics. For neutral TbPc 2 and TbPcNc molecules, the Tb magnetic moment and ligand spin are parallel to each other and the coupling strength between them does not depend much on the ligand type and details of the atomic structure. However, ligand distortion and molecular symmetry play a crucial role in transverse CF parameters which lead to tunnel splitting. The tunnel splitting induces quantum tunneling of magnetization by itself or by combining with other processes. Our results provide insights into the mechanisms of magnetization relaxation in the representative Tb-based SMMs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Sputter-Coated TiO 2 Films as Passivation and Hole Transfer Layers for Improved Energy Conversion with Solar Fuel WO 3 /CuWO 4 Photoanodes

Atomic layer deposited (ALD) “leaky” TiO 2 have gained interest as charge-selective protection layers for semiconductor solar fuel electrodes. Here we demonstrate the use of sputter-deposited TiO 2 layers as hole selective contacts for WO 3 /CuWO 4 type 2 heterojunction water oxidation photoanodes for the first time. TiO 2 protection layers with varying thicknesses (2 to 128 nm) were deposited using the RF magnetron sputtering technique. The resulting TiO 2 films are amorphous based on Raman spectroscopy and powder XRD. Photoelectrochemical scans and Vibrating Kelvin probe photovoltage spectroscopy show that 2-8 nm TiO 2 layers nearly double the photocurrent to 0.97 mA cm -2 under AM 1.5 illumination (19% AQE at 350 nm), increase the surface photovoltage signal by 25%, and increase the WO 3 /CuWO 4 bandgap. These effects can be attributed to the selectivity of TiO 2 for photoholes. Additionally, SPV data suggest that TiO 2 overlayers suppress copper-based surface recombination defects. Reduced photocurrent and the photovoltage are seen in thicker TiO 2 films (16 to 128 nm) as a result of an increasing hole transfer resistance and because of light shading effects according to photoaction spectra. The TiO 2 films also improve the stability of the WO 3 /CuWO 4 photoelectrodes, allowing nearly constant O 2 evolution over 3 hours after an initial 20-35% loss. Overall, this work establishes RF magnetron sputtering as a useful method to install amorphous TiO 2 passivation layers for improved WO 3 /CuWO 4 solar fuel photoelectrodes. Furthermore, we show how the combination of PEC with SPV measurements provides insight into the function of the TiO 2 coatings.

CuWO4↗

DOE OSTI2025

Spontaneous magnon decays from nonrelativistic time-reversal symmetry breaking in altermagnets

Quasiparticles are central to condensed matter physics, but their stability can be undermined by quantum many-body interactions. Magnons, i.e., quasiparticles in quantum magnets, are particularly intriguing because their properties are governed by both real and spin space. While crystal symmetries may be low, spin interactions often remain approximately isotropic, limiting spontaneous magnon decay. Textbook wisdom holds that collinear Heisenberg magnets follow a dichotomy: ferromagnets host stable magnons, while antiferromagnetic magnons may decay depending on dispersion curvature. Up to now, relativistic spin-orbit coupling and noncollinear order that connect spin space to real space were shown to introduce more complex magnon instability mechanisms. Here, we show that even in nonrelativistic isotropic collinear systems, this conventional dichotomy is disrupted in altermagnets. Altermagnets, a newly identified class of collinear magnets, exhibit compensated spin order with nonrelativistic time-reversal symmetry breaking and even-parity band splitting. Using kinematic analysis, nonlinear spin-wave theory, and quantum simulations, we reveal that even weak band splitting opens a decay phase space, driving quasiparticle breakdown. Additionally, 𝑑-wave altermagnets form a rare “island of stability” at the Brillouin-zone center. Furthermore, our findings establish a quasiparticle stability trichotomy in collinear Heisenberg magnets and position altermagnets as a promising platform for unconventional spin dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Simultaneously improved reversibility and hydrogen production of solid oxide cells through infiltrating air electrode

Among the various fuel cells, solid oxide cells (SOCs) are the unique type that can principally operate reversibly as either fuel cells to produce electricity or as an electrolyser to split water and produce green hydrogen (H 2 ). Nevertheless, the SOCs' reversibility presents enormous challenges that are manifested by the fast degradation through the cycling between fuel cell and electrolysis mode. While the La 0.8 Sr 0.2 MnO 3 /yttria-stabilized zirconia (LSM/YSZ) air electrode possesses significant advantages in terms of high electrical conductivity and high thermal stability under fuel cell mode, the SOCs with the LSM/YSZ air electrode experience rapid performance degradation with catastrophic electrode delamination shortly after switching from fuel cell to electrolysis mode. To prevent such catastrophic delamination and enable the electrolysis H 2 production, a chemical solution with the designed chemistry of SrFe 2 O 4-d was infiltrated into the LSM/YSZ air electrode. The infiltration immediately mitigates the catastrophic delamination, and the infiltrated cells exhibit significantly improved reversibility upon the electrochemical operation. Nanostructure examination reveals nanoscale cracks and second-phase nanograins formed in the air electrode from the baseline cell. By contrast, no delamination was observed at either the micron or the nanoscale for the infiltrated cell, which is attributed to the increased ion conductivity of the Fe-doped LSM mixed conductor induced by the significant interdiffusion between the LSM backbone and infiltrates. Here, this study presents a viable method for preventing electrode delamination while enhancing the durability of H 2 production and power generation for reversible fuel cell/electrolysis cell operation. It further opens new research directions of modifying the electrochemical activity of the electrode of inherently functional cells through the infiltration of the solutions with different chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Self-consistency in GWΓ formalism leading to quasiparticle-quasiparticle couplings

Within many-body perturbation theory, Hedin's formalism offers a systematic way to iteratively compute the self-energy Σ of any dynamically correlated interacting system, provided one can evaluate the interaction vertex Γ exactly. This is, however, impossible, in general, for it involves the functional derivative of Σ with respect to the Green's function. Here, we analyze the structure of this derivative, splitting it into four contributions and outlining the type of quasiparticle interactions that each of them generate. Moreover, we show how, in the implementation of self-consistency, the action of these contributions can be classified into two: A quantitative renormalization of previously included interaction terms and the inclusion of qualitatively distinct interaction terms through successive functional derivatives of Γ itself. Implementing this latter type of self-consistency can extend the validity of perturbative approximations based on Hedin's equations toward the high interaction limit, as we show in the example of the Hubbard dimer. Furthermore, our analysis also provides a unifying perspective on the perturbation theory landscape, showing how the T-matrix approach is completely contained in Hedin's formalism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1989

Product assurance technology for procuring reliable, radiation-hard, custom LSI/VLSI electronics

Advanced measurement methods using microelectronic test chips are described. These chips are intended to be used in acquiring the data needed to qualify Application Specific Integrated Circuits (ASIC's) for space use. Efforts were focused on developing the technology for obtaining custom IC's from CMOS/bulk silicon foundries. A series of test chips were developed: a parametric test strip, a fault chip, a set of reliability chips, and the CRRES (Combined Release and Radiation Effects Satellite) chip, a test circuit for monitoring space radiation effects. The technical accomplishments of the effort include: (1) development of a fault chip that contains a set of test structures used to evaluate the density of various process-induced defects; (2) development of new test structures and testing techniques for measuring gate-oxide capacitance, gate-overlap capacitance, and propagation delay; (3) development of a set of reliability chips that are used to evaluate failure mechanisms in CMOS/bulk: interconnect and contact electromigration and time-dependent dielectric breakdown; (4) development of MOSFET parameter extraction procedures for evaluating subthreshold characteristics; (5) evaluation of test chips and test strips on the second CRRES wafer run; (6) two dedicated fabrication runs for the CRRES chip flight parts; and (7) publication of two papers: one on the split-cross bridge resistor and another on asymmetrical SRAM (static random access memory) cells for single-event upset analysis.

Buehler, M. G.↗

DOE OSTI2019

A generalized massively parallel ultra-high order FFT-based Maxwell solver

Dispersion-free ultra-high order FFT-based Maxwell solvers have recently proven to be paramount to a large range of applications, including the high-fidelity modeling of high-intensity laser–matter interactions with Particle-In-Cell (PIC) codes. To enable a massively parallel scaling of these solvers, a novel parallelization technique was recently proposed, which consists in splitting the simulation domain into several processor sub-domains, with guard regions appended at each sub-domain boundary. Maxwell's equations are advanced independently on each sub-domain using local shared-memory FFTs (instead of a single distributed global FFT). This implies small truncation errors at sub-domain boundaries, the amplitude of which depends on guard regions sizes and order of the Maxwell solver. For moderate guard region sizes, this ’local’ technique proved to be highly scalable on up to a million cores and notably enabled the 3D modeling of so-called plasma mirrors, for which 8 guard cells only were enough to prevent truncation error growth. Yet, for other applications, the required number of guard cells might be much higher, which would severely limit the parallel efficiency of this technique due to the large volume of guard cells to be exchanged between sub-domains. In this context, we propose a novel parallelization technique that ensures very good scaling of FFT-based solvers with an arbitrarily high number of guard cells. Our ’hybrid’ technique consists in performing distributed FFTs on local groups of processors with guard regions now appended to boundaries of each group of processors. It uses a dual domain decomposition method for the Maxwell solver and other parts of the PIC cycle to keep the simulation load-balanced. This ’hybrid’ technique was implemented in the open source exascale library PICSAR. Benchmarks show that for a large number of guard cells (>16), the ’hybrid’ technique offers up to ×3 speed-up and ×8 memory savings compared to the ’local’ one.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Clathrate BaNi 2 P 4 : An Interplay of Heat and Charge Transport Due to Strong Host–Guest Interactions

Heat and charge transport properties of the metallic unconventional clathrate BaNi 2 P 4 , hosting Ba cations in oversized Ni 8 P 16 cages, are investigated. A novel method of single-crystal growth was developed, yielding 2–3 mm sized crystals of BaNi 2 P 4 . We also developed a setup to accurately measure thermal conductivity and electrical resistivity of the synthesized single crystals in a wide temperature range avoiding crystal remounting. BaNi 2 P 4 has a metallic temperature dependence of its electrical resistivity (decreasing with decreasing temperature) and manifests an unconventional T 2 power law for 50 K < T < 300 K; below 50 K, the power-law exponent increases gradually such that below 10 K the power law is T 5 , a predicted but extremely rarely experimentally observed dependence for peculiar electron–phonon interactions. Furthermore, electronic band structure calculations, consistent with measurements of de Haas–van Alphen oscillations, show large band dispersions with significant contributions of Ba orbitals to states near the Fermi level, which is atypical for clathrates. The thermal properties of BaNi 2 P 4 were probed using a combination of variable-temperature single-crystal X-ray diffraction experiments, heat capacity measurements, first-principles phonon dispersion calculations, and inelastic neutron scattering measurements. BaNi 2 P 4 exhibits significant hybridization of the Ba-guest and Ni–P-framework vibrational modes, which may be enhanced via the detected split of the Ba position, which results in strong Ba-framework interactions.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Andreev reflection at the altermagnet-superconductor interface

Altermagnets are a new class of magnetic materials, which exhibit large spin splitting, but due to the combined spin and real space group symmetry protection maintain zero net macroscopic magnetization. Such a characteristic may prove them to be superior in applications in superconducting heterostructures and thus here we investigate the Andreev reflection at the altermagnet/superconductor interface. We compare and contrast altermagnets to other magnetic materials, revealing qualitative differences in the behavior of altermagnetic junction depending on the Fermi surface orientation. We study the resonant states arising in setups with strong tunneling barriers and show that sensitivity to nonmagnetic disorder is also dependent on the orientation. In conclusion, our results provide a building block for altermagnetic superconducting heterostructures such as Josephson π junctions with superior properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

Anisotropy as an indicator for reservoir changes: example from the Rotokawa and Ngatamariki geothermal fields, New Zealand

We investigate the relation between geothermal field production and fracture density and orientation in the Ngatamariki and Rotokawa geothermal fields, located in the Taupo Volcanic Zone, New Zealand using shear wave splitting (SWS). We determine the SWS parameters for 17 702 microseismic events across 38 stations spanning close to 4 yr from 2012 to 2015. We compare the strength of anisotropy to changes in field production and injection. We also compare the orientation of the anisotropy to in situ and regional measurements of maximum horizontal stress orientation. ($S_{\mathrm{ H}_{\mathrm{ max}}}$). Due to the volume of unique events (approximately 160 000), shear wave phases are picked automatically. We carry out automatic SWS measurements using the Multiple Filter Automatic Splitting Technique (MFAST). The SWS measurements are interpreted in the context of stress aligned microcracks. Outside both fields and within Ngatamariki, fast polarizations align with the NE–SW regional orientation of $S_{\mathrm{ H}_{\max}}$. Within Rotokawa a greater complexity is observed, with polarizations tending toward N–S. We observe increases in per cent anisotropy coinciding with the start of production/injection in Ngatamariki and then a later correlated drop in per cent anisotropy and v P /v S ratios in southern Ngatamariki as injection is shifted to the north. This relationship is consistent with pore fluid pressure within the reservoir being affected by local changes in production and injection of geothermal fluids causing cracks to open and close in response.

58 GEOSCIENCES↗

DOE OSTI2025

CO 2 Transport Infrastructure Outlook in the United States

Carbon capture and storage (CCS) represents one of the most important methods to mitigate anthropogenic carbon emissions at a large scale, playing a key role in meeting climate change targets (Bui et al., 2018) and for net-zero CO 2 by 2050 scenarios in the United States (Browning et al., 2023). This technology involves capturing CO 2 emissions from industrial processes, transporting them via pipelines, trucks, rails, or ships, and ultimately storing them in underground geological sites, such as saline aquifers or depleted oil reservoirs. Thus, to encourage carbon reduction initiatives, the U.S. Congress enacted the Bipartisan Budget Act in 2018, reforming the 45Q tax credit to benefit operators storing CO 2 in geologic formations (Jones and Sherlock, 2021). Additionally, the 2022 Inflation Reduction Act further expanded these incentives, providing additional support for CCS initiatives (Hackett and Kuehn, 2023). Although numerous studies describe the importance of optimal CO 2 transportation to support the decision-making of CCS projects aligned with the objective of net-zero emissions by 2050 (Abramson and Christensen, 2021; Chen and Pawar, 2023; Greig and Pascale, 2021), further efforts are required to optimize the transport infrastructure for national-scale CCS deployment. Therefore, in this study, we examine three nationwide scenarios with the SimCCS 3.0 tool (Ma et al., 2022, 2023, 2024) along with a novel geospatial splitting approach developed by Velasco-Lozano et al. (Velasco- Lozano et al., 2024a, 2024b). We present optimized pipeline networks that meet the dynamic evolution of annual capture amounts, describing the required total pipeline lengths at each stage as a function of the pipeline diameters. Thus, the cases presented demonstrate the feasibility of CO 2 pipeline infrastructure for large-scale CCS projects.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Band structure of germanium carbides for direct bandgap silicon photonics

Compact optical interconnects require efficient lasers and modulators compatible with silicon. Ab initio modeling of Ge{sub 1−x}C{sub x} (x = 0.78%) using density functional theory with HSE06 hybrid functionals predicts a splitting of the conduction band at Γ and a strongly direct bandgap, consistent with band anticrossing. Photoreflectance of Ge{sub 0.998}C{sub 0.002} shows a bandgap reduction supporting these results. Growth of Ge{sub 0.998}C{sub 0.002} using tetrakis(germyl)methane as the C source shows no signs of C-C bonds, C clusters, or extended defects, suggesting highly substitutional incorporation of C. Optical gain and modulation are predicted to rival III–V materials due to a larger electron population in the direct valley, reduced intervalley scattering, suppressed Auger recombination, and increased overlap integral for a stronger fundamental optical transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

GaP/GaNP Heterojunctions for Efficient Solar‐Driven Water Oxidation

The growth and characterization of an n‐GaP/i‐GaNP/p + ‐GaP thin film heterojunction synthesized using a gas‐source molecular beam epitaxy (MBE) method, and its application for efficient solar‐driven water oxidation is reported. The TiO 2 /Ni passivated n‐GaP/i‐GaNP/p + ‐GaP thin film heterojunction provides much higher photoanodic performance in 1 m KOH solution than the TiO 2 /Ni‐coated n‐GaP substrate, leading to much lower onset potential and much higher photocurrent. There is a significant photoanodic potential shift of 764 mV at a photocurrent of 0.34 mA cm −2 , leading to an onset potential of ≈0.4 V versus reversible hydrogen electrode (RHE) at 0.34 mA cm −2 for the heterojunction. The photocurrent at the water oxidation potential (1.23 V vs RHE) is 1.46 and 7.26 mA cm −2 for the coated n‐GaP and n‐GaP/i‐GaNP/p + ‐GaP photoanodes, respectively. The passivated heterojunction offers a maximum applied bias photon‐to‐current efficiency (ABPE) of 1.9% while the ABPE of the coated n‐GaP sample is almost zero. Furthermore, the coated n‐GaP/i‐GaNP/p + ‐GaP heterojunction photoanode provides a broad absorption spectrum up to ≈620 nm with incident photon‐to‐current efficiencies (IPCEs) of over 40% from ≈400 to ≈560 nm. The high low‐bias performance and broad absorption of the wide‐bandgap GaP/GaNP heterojunctions render them as a promising photoanode material for tandem photoelectrochemical (PEC) cells to carry out overall solar water splitting.

Kargar, Alireza↗

NASA NTRS1995

Explicit and implicit compact high-resolution shock-capturing methods for multidimensional Euler equations 1: Formulation

Two classes of explicit compact high-resolution shock-capturing methods for the multidimensional compressible Euler equations for fluid dynamics are constructed. Some of these schemes can be fourth-order accurate away from discontinuities. For the semi-discrete case their shock-capturing properties are of the total variation diminishing (TVD), total variation bounded (TVB), total variation diminishing in the mean (TVDM), essentially nonoscillatory (ENO), or positive type of scheme for 1-D scalar hyperbolic conservation laws and are positive schemes in more than one dimension. These fourth-order schemes require the same grid stencil as their second-order non-compact cousins. One class does not require the standard matrix inversion or a special numerical boundary condition treatment associated with typical compact schemes. Due to the construction, these schemes can be viewed as approximations to genuinely multidimensional schemes in the sense that they might produce less distortion in spherical type shocks and are more accurate in vortex type flows than schemes based purely on one-dimensional extensions. However, one class has a more desirable high-resolution shock-capturing property and a smaller operation count in 3-D than the other class. The extension of these schemes to coupled nonlinear systems can be accomplished using the Roe approximate Riemann solver, the generalized Steger and Warming flux-vector splitting or the van Leer type flux-vector splitting. Modification to existing high-resolution second- or third-order non-compact shock-capturing computer codes is minimal. High-resolution shock-capturing properties can also be achieved via a variant of the second-order Lax-Friedrichs numerical flux without the use of Riemann solvers for coupled nonlinear systems with comparable operations count to their classical shock-capturing counterparts. The simplest extension to viscous flows can be achieved by using the standard fourth-order compact or non-compact formula for the viscous terms.

Yee, H. C.↗

NASA NTRS2008

From Informal Safety-Critical Requirements to Property-Driven Formal Validation

Most of the efforts in formal methods have historically been devoted to comparing a design against a set of requirements. The validation of the requirements themselves, however, has often been disregarded, and it can be considered a largely open problem, which poses several challenges. The first challenge is given by the fact that requirements are often written in natural language, and may thus contain a high degree of ambiguity. Despite the progresses in Natural Language Processing techniques, the task of understanding a set of requirements cannot be automatized, and must be carried out by domain experts, who are typically not familiar with formal languages. Furthermore, in order to retain a direct connection with the informal requirements, the formalization cannot follow standard model-based approaches. The second challenge lies in the formal validation of requirements. On one hand, it is not even clear which are the correctness criteria or the high-level properties that the requirements must fulfill. On the other hand, the expressivity of the language used in the formalization may go beyond the theoretical and/or practical capacity of state-of-the-art formal verification. In order to solve these issues, we propose a new methodology that comprises of a chain of steps, each supported by a specific tool. The main steps are the following. First, the informal requirements are split into basic fragments, which are classified into categories, and dependency and generalization relationships among them are identified. Second, the fragments are modeled using a visual language such as UML. The UML diagrams are both syntactically restricted (in order to guarantee a formal semantics), and enriched with a highly controlled natural language (to allow for modeling static and temporal constraints). Third, an automatic formal analysis phase iterates over the modeled requirements, by combining several, complementary techniques: checking consistency; verifying whether the requirements entail some desirable properties; verify whether the requirements are consistent with selected scenarios; diagnosing inconsistencies by identifying inconsistent cores; identifying vacuous requirements; constructing multiple explanations by enabling the fault-tree analysis related to particular fault models; verifying whether the specification is realizable.

Cimatti, Alessandro↗

DOE OSTI2021

Inelastic Scattering of a Photon by a Quantum Phase Slip

Spontaneous decay of a single photon is a notoriously inefficient process in nature irrespective of the frequency range. We report that a quantum phase-slip fluctuation in high-impedance superconducting waveguides can split a single incident microwave photon into a large number of lower-energy photons with a near unit probability. The underlying inelastic photon-photon interaction has no analogs in non-linear optics. Instead, the measured decay rates are explained without adjustable parameters in the framework of a new model of a quantum impurity in a Luttinger liquid. Our result connects circuit quantum electrodynamics to critical phenomena in two-dimensional boundary quantum field theories, important in the physics of strongly-correlated systems. Here, the photon lifetime data represents a rare example of verified and useful quantum many-body simulation.

1-dimensional systems↗

DOE OSTI2024

The mass profiles of dwarf galaxies from Dark Energy Survey lensing

We present a novel approach to extracting dwarf galaxies from photometric data to measure their average halo mass profile with weak lensing. We characterize their stellar mass and redshift distributions with a spectroscopic calibration sample. By combining the ${\sim} 5000\,\mathrm{deg}^2$ multiband photometry from the Dark Energy Survey and redshifts from the Satellites Around Galactic Analogs Survey with an unsupervised machine learning method, we select a low-mass galaxy sample spanning redshifts $z\lt 0.3$ and divide it into three mass bins. From low to high median mass, the bins contain [146 420, 330 146, 275 028] galaxies and have median stellar masses of $\log _{10}(M_*/\text{M}_\odot)=\left[8.52\substack{+0.57 -0.76},\, 9.02\substack{+0.50 -0.64},\, 9.49\substack{+0.50 -0.58}\right]$ . We measure the stacked excess surface mass density profiles, $\Delta \Sigma (R)$, of these galaxies using galaxy–galaxy lensing with a signal-to-noise ratio of [14, 23, 28]. Through a simulation-based forward-modelling approach, we fit the measurements to constrain the stellar-to-halo mass relation and find the median halo mass of these samples to be $\log _{10}(M_{\rm halo}/\text{M}_\odot)$ = [$10.67\substack{+0.2 -0.4}$, $11.01\substack{+0.14 -0.27}$, $11.40\substack{+0.08 -0.15}$]. The cold dark matter profiles are consistent with NFW (Navarro, Frenk, and White) profiles over scales ${\lesssim} 0.15 \, {h}^{-1}$ Mpc. We find that ${\sim} 20$ per cent of the dwarf galaxy sample are satellites. This is the first measurement of the halo profiles and masses of such a comprehensive, low-mass galaxy sample. The techniques presented here pave the way for extracting and analysing even lower mass dwarf galaxies and for more finely splitting galaxies by their properties with future photometric and spectroscopic survey data.

dark matter↗

DOE OSTI2025

Tactical Analysis for Calculating Contextual Risk at Boundaries: Summary of Laboratory Directed Research & Development Effort

The Tactical Analysis for Calculating Contextual Risk at Boundaries (TACCRAB) tool is an innovative digital twin (DT) platform and automated risk algorithm designed to transform operational decision-making in structured screening environments, with an initial focus on Southern Border Land Ports of Entry (POEs). The invention provides integration points for advanced artificial intelligence, predictive modeling, and real-time data analysis to produce a comprehensive risk management tool that enables proactive, data-informed security strategies. The core inventive features of TACCRAB center on its unique risk algorithm, which dynamically calculates contextual risk by synthesizing historical data, near real-time streaming data from the checkpoints themselves, and AI-generated predictions. Unlike traditional risk assessment methods, TACCRAB utilizes a DT to provide comprehensive operational insights, allowing stakeholders to visualize, simulate, and optimize checkpoint configurations with unprecedented speed and contextual awareness. TACCRAB's key innovation lies in its ability to combine multiple complex inputs - including technology detection probabilities, resource availability, screening pathway characteristics, and threat actor behavioral patterns - into a unified risk calculation and update these inputs based on changing operational and environmental conditions. By leveraging a DT that continuously updates and learns from linked data, TACCRAB can suggest adaptive mitigation strategies that minimize risk while maintaining operational efficiency. Particularly novel is the platform's approach to decision support, which goes beyond static risk assessment. The DT provides dynamic metrics such as wait times, resource allocation effectiveness, and potential emerging threat scenarios, enabling users to view sophisticated, relevant what-if simulations and optimize checkpoint operations in near real-time. The system's architecture allows for generalized application across different screening environments, such as secure facilities, ports of entry, and soft targets, making it a versatile tool for security and operational management. The invention distinguishes itself through its comprehensive integration of predictive modeling, AI-driven pattern discovery, and user-friendly interface design. By combining these elements, TACCRAB transforms complex risk data into actionable insights, supporting decision-makers at various organizational levels - from booth agents making split-second screening decisions to checkpoint managers optimizing the day's resource allocation to strategic planners managing long-term investments.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗