Categorization of incongruent TPMS by geometric features using manifold learning and clustering
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Abstract Nanocrystals (NCs) of various compositions have made important contributions to science and technology, with their impact recognized by the 2023 Nobel Prize in Chemistry for the discovery and synthesis of semiconductor quantum dots (QDs). Over four decades of research into NCs has led to numerous advancements in diverse fields, such as optoelectronics, catalysis, energy, medicine, and recently, quantum information and computing. The last 10 years since the predecessor perspective “Prospect of Nanoscience with Nanocrystals” was published in ACS Nano have seen NC research continuously evolve, yielding critical advances in fundamental understanding and practical applications. Mechanistic insights into NC formation have translated into precision control over NC size, shape, and composition. Emerging synthesis techniques have broadened the landscape of compounds obtainable in colloidal NC form. Sophistication in surface chemistry, jointly bolstered by theoretical models and experimental findings, has facilitated refined control over NC properties and represents a trusted gateway to enhanced NC stability and processability. The assembly of NCs into superlattices, along with two-dimensional (2D) photolithography and three-dimensional (3D) printing, has expanded their utility in creating materials with tailored properties. Applications of NCs are also flourishing, consolidating progress in fields targeted early on, such as optoelectronics and catalysis, and extending into areas ranging from quantum technology to phase-change memories. In this perspective, we review the extensive progress in research on NCs over the past decade and highlight key areas where future research may bring further breakthroughs.
The transient and quasi-steady flame structures of Dimethyl Ether (DME) fuel sprays, produced by a single-hole injector (Spray D), were investigated using Planar Laser-Induced Fluorescence (PLIF) and chemiluminescence imaging in a constant-volume chamber under Engine Combustion Network (ECN) Spray A conditions (900 K ambient temperature, 60 bar ambient pressure, 1500 bar injection pressure, and 22.8 kg/m 3 ambient density). Low-temperature chemical reaction zones were visualized using formaldehyde (CH 2 O) PLIF with 355 nm excitation, while high-temperature flame regions were captured via chemiluminescence imaging of excited-state hydroxyl radicals (OH*). Both transient and quasi-steady flame structures clearly show the transition from CH 2 O to OH*, highlighting the progression from low- to high-temperature combustion, while the position of the flame is displaced for DME compared to reference hydrocarbon n-dodecane. Homogeneous reactor calculations with detailed chemistry and using adiabatic mixing for initial temperature show that CH 2 O peaks are significantly higher for DME at the same equivalence ratio, with a higher heat-release during the cool-flame regime with respect to the fuel heating value. Thus, the cool-flame dynamic as a precursor to high-temperature combustion and flame stabilization exhibit distinct behavior for DME relative to conventional hydrocarbons, and these phenomena are effectively resolved through the soot-free nature of DME and the high-speed, time-resolved diagnostics.
The advent of wurtzite ferroelectrics is enabling new ferroelectric devices for computer memory that have the potential to bypass the von Neumann bottleneck due to their robust polarization and silicon compatibility. However, the atomistic switching mechanism of wurtzites is still undetermined due to the limitations of density functional theory simulation size and experimental temporal and spatial resolution. Thus, physics-informed materials engineering to reduce coercive field and breakdown in these devices has been limited. In this work, the atomistic mechanism of domain wall migration and domain growth in aluminum nitride-based wurtzites is uncovered using molecular dynamics and Monte Carlo simulations. We reveal the anomalous switching mechanism of fast 1D single columns of atoms propagating from a slow-moving 2D fractallike domain wall. We find that the critical nucleus is a single aluminum ion that breaks its bond with one nitrogen and bonds to another nitrogen; this creates a cascade that flips atoms directly only in the same column, due to the extreme locality (sharpness) of the domain walls in wurtzites. We further show how the fractallike shape of the domain wall in the 2D plane breaks assumptions in the Kolmogorov, Avrami, and Ishibashi (KAI) model and leads to the anomalously fast switching in wurtzite structured ferroelectrics.
The Molokai, Hawaii, Energy to Communities (E2C) Energyshed project represents a collaborative effort between the National Laboratory of the Rockies, Shake Energy Collaborative, the Molokai Clean Energy Hui, Sustainable Molokai, and Ho'ahu Energy Cooperative Molokai to advance Molokai's Community Energy Resilience Action Plan (CERAP). Supported by Hawaiian Electric Company and the Hawaii State Energy Office, the initiative aims to develop a community-defined portfolio of renewable energy solutions that enhance energy resilience while aligning with the Hawaiian Electric Integrated Grid Plan (IGP) and Molokai's energy goals. Phase 1 focused on technical analyses and community engagement to co-design feasible energy scenarios. Challenges such as grid upgrades, storage sizing, and inverter ride-through standards were addressed to align technical and operational requirements with community preferences. The project equips Molokai with actionable data and insights to implement energy initiatives while ensuring resilient and culturally informed solutions. Future efforts aim to finalize project designs, secure interconnection agreements, and deploy energy projects that reflect community priorities and technical feasibility.
Through progressive reduction of the three-dimensional (3D) covalent network of Cu 4 TiS 4 , we isolate seven new members of the A n Cu 4–n TiS 4 family (A = alkali metal; n = 0–4), spanning 3D, 2D, 1D, and 0D structural fragments. The dimensional reduction is rational, as it preserves the edge-sharing connectivity between [CuS 4 ] 7– and [TiS 4 ] 4– tetrahedra across the series. This structural evolution is driven by the stepwise substitution of Cu with alkali metals, guiding the formation of fragments with reduced dimensionality. The effects of “n” and “A” on the crystal structures, stabilities, electronic structures, and optoelectronic properties are profound, demonstrating that the manipulation of alkali metal size and A n Cu 4–n TiS 4 stoichiometry enables predictable variations in structure and properties. For example, the n = 0 and n = 4 end members of the A n Cu 4–n TiS 4 family set the range of achievable band gaps with 2.00 eV for Cu 4 TiS 4 , 2.60 eV for Na 4 TiS 4 , and intermediate values for the n = 1–3 members. Notably, CsCu 3 TiS 4 exhibits exceptional air stability and congruent melting, with density functional theory (DFT) calculating moderate hole and electron effective masses in specific crystallographic directions (mh = 1.24m 0 , me = 0.87m 0 ). Additionally, A 3 CuTiS 4 (A = Na, K, Rb) displays direct band gap behavior and long photoluminescence lifetimes of 2.3–8.6 μs, and K 3 CuTiS 4 has a PLQY of 5.19%. These findings underscore the potential of the A n Cu 4–n TiS 4 family for applications in optoelectronics and demonstrate widely applicable design concepts that unveil rational stoichiometries within a given composition space to generate a series of crystal structures related through an evolving covalent dimensionality that corresponds to a predictable electronic structure and property progression.
Chemical characterization of atmospheric organic aerosols using gas chromatography with 70 eV electron ionization mass spectrometry (GC/EI-MS) has been used for decades in advancing molecular marker detection and identification, though primarily through suspect screening and/or targeted analyses. To advance non-targeted analyses of environmental samples, we have catalogued approximately 27 000 mass spectra (MS) of the trimethylsilyl derivatives of semi-volatile organic aerosol (OA) analytes in the open-access University of California Berkeley Goldstein Library of Organic Biogenic Environmental Spectra (UCB-GLOBES). Analytes were observed in ambient samples from the U.S. and the Central Amazon and/or laboratory simulations of secondary OA (SOA) formation. These samples are representative of OA under urban and biomass burning influences as well as SOA derived from biogenic precursors (e.g., isoprene, monoterpenes, sesquiterpenes) and biomass burning intermediates. MS are documented in UCB-GLOBES without regard to known chemical identity, annotated with extensive metadata such as sample source/experimental conditions, any structural information gained from MS analyses, and predicted chemical properties such as average carbon oxidation state and carbon number. UCB-GLOBES MS are compatible for importing into the NIST MS Search program, and we have also provided a Jupyter Notebook for MS visualization and comparisons. We demonstrate the utility of UCB-GLOBES through MS reanalyses of prior analytes observed in ambient data, finding a 20 % reduction in the number of analytes assigned to OA source categories reliant solely on time series correlation and an overall 11 % increase in new MS-based OA source categorization for the Southeast U.S. For 1513 analytes observed previously in the Central Amazon, we found 375 MS matches using UCB-GLOBES vs. 136 MS matches during prior analyses, representing a 14 % gain in newly confirmed or newly categorized OA species. While OA from laboratory oxidation experiments in UCB-GLOBES are highly diverse chemically, on average only 29 % of UCB-GLOBES MS have a mass spectral match to another MS entry in UCB-GLOBES and/or in databases of known compounds (i.e. NIST MS Database, Adams Essential Oil, MANE Flavor and Fragrance Company). This indicates that roughly 70 % of UCB-GLOBES MS are unique thus far, not observed more than once among the laboratory oxidation samples and ambient data in UCB-GLOBES MS. Further, only 18 % can be positively identified using these databases or known authentic standards. This points to a large gap between these laboratory simulations and ambient OA. Overall, the UCB-GLOBES database can be utilized for improving confidence in OA source categorization and/or identification, novel chemical marker discovery, tracking chemical diversity, de novo structure and properties prediction, and improving MS search and matching algorithms. This can ultimately inform future research priorities for the chemical characterization of atmospheric organic samples.
The Gear Test Assembly (GTA) is an experimental test apparatus built and installed in the Mechanisms and Engineering Test Loop (METL) at Argonne National Laboratory (ANL). While designed to accommodate a variety of components intended for use in advanced compact in-vessel transfer machine, the focus of GTA been the testing of large radial spur gears. The performance of the components used in GTA motivates the choices made in the design, components, and material choices for the forthcoming METL test articles; the Gripper Test Assembly (GrTA), and the Bearing Test Assembly (BTA). To date, GTA has completed nine experimental testing campaigns and achieved over 21 million revolutions under prototypic sodium fast reactor loads and operating conditions. This report provides an overview and results for the two most recent experiments Campaign #8 and Campaign #9. `Campaign #8 was the first campaign to make use of a set of nickel alloy radial spur gears, made from Hastelloy C-22HS, and combined with heat-treated tapered roller bearings. The bearings and torque profile used allowed Campaign #8 to be directly compared with Campaign #1 where Inconel 718 gears were used instead. Campaign #8 attained 1,058,880 shaft revolutions within 23% of the 1,314,855 revolutions achieved in Campaign #1. These results demonstrate that the heat-treated tapered roller bearings show consistent increased lifetimes, approximately three times longer than for non heat-treated taper rollers, and that the particular material of the gear does not play a substantial role in performance. Similar to Campaign #7 where bearing failure resulted in fragmentation and transport of bearing material into the gear teeth led to tooth damage in the Inconel gears, a similar process led to the damage of the Hastelloy gears. Subsequent NDE analysis showed that the damage was only limited to the tooth surface and does not extend into the gear interiors. Based on the NDE reports, the Hastelloy gears can be reconditioned and put back into service for future campaigns as was done for the Inconel gears. Reconditioned Inconel 718 gears damaged in Campaign #7 were returned to service in Campaign #9 and paired with non heat-treated tapered roller bearings. In Campaign #9 a novel set of operating conditions were implemented whereby the gears and bearings were cycled between hot, submerged refueling conditions where fuel handling operations occurred and cold, dry, and inert conditions where the sodium was drained and the vessel was allowed to cool simulating long, ex-vessel storage of the fuel handling machine. A total of eight of these operating cycles were achieved before a bearing failure occurred after the accumulation of 475,692 shaft revolutions were achieved. During Campaign #9, one of the drive motors was damaged and over the course of a 240 day standby period, the entire GTA drive system was upgraded from a 480VAC system to a 240VAC system that provided the opportunity to consolidate wall-space in the METL facility and provide more space for additional test articles being installed in the coming year. The over 475,000 shaft revolutions achieved in Campaign #9 eclipses the previous record for lifetime of non heat-treated tapered roller bearings held by Campaign #3 of 392,000 shaft revolutions. Further analysis and future campaigns hope to shed light on the cause of this approximately 17% increase in lifetime.
We demonstrate the readout of a superconducting $LC$ resonator, with $Q \approx 2 \times 10^{6}$ at approximately 250 kHz, using a dc SQUID followed by a SQUID series-array amplifier readout chain. We find that $Q$ depends on the SQUID flux-bias point, increasing near the shallow-slope point of the SQUID modulation curve and decreasing near the steep-slope point, consistent with the previously observed SQUID damping effects. From this variation, we infer the SQUID effective input impedance. We further infer the effective temperature of the resonator circuit from the resonance peak in the noise spectrum and show that it also depends on the SQUID flux-bias point, suggesting a possible contribution from SQUID back-action noise. This system provides a working prototype for future experiments based on lumped-element resonators with SQUID readout, in particular low-mass axion searches within the DMRadio program.
During long-distance sound propagation in planetary atmospheres, acoustic waves may reflect off the air/surface interface one or more times. For low sound frequencies and flat interfaces, the incident and reflected wave tend to be nearly identical. However, this may not be the case when the downgoing acoustic wave encounters topography. Here, we describe a set of direct and reflected acoustic signals recorded on free-flying balloons during the hypersonic entry of the OSIRIS-REx sample return capsule (SRC). In two of the three cases presented here, an impulsive reflected arrival similar in form to the direct sonic boom of the SRC is observed, followed by a diffuse coda. In contrast, one of the floating stations lacked an impulsive reflection entirely, with only the coda present. We use full waveform modeling to show how reflection in the presence of complex topography can explain coda seen in all three examples as well as the lack of impulsive arrival on the third. Our results indicate that the complex signals often observed in long range acoustic propagation could be due, in part, to interactions with topography during transmission.
The rapid growth in the use of lithium-ion batteries (LIBs) in electric vehicles, consumer electronics, and renewable energy storage has made effective end-of-life management essential. Recycling LIBs is critical not only for resource recovery and environmental protection but also for ensuring safety and economic viability. This review focuses on the preprocessing technologies that precede typical recovery processes, including disassembly, sorting, discharging, electrolyte removal, dismantling, thermal treatment, separation, and flotation. These steps play a foundational role in determining the efficiency, safety, and environmental impact of LIB recycling. LIBs pose substantial fire and explosion risks due to residual charge, flammable electrolytes, and reactive materials. The conditions and successive progression of the exothermic reactions which lead to thermal runaway has been discussed. It also explores secure deactivation techniques such as external circuit discharge, saline immersion, and thermomechanical methods, alongside fire prevention strategies including the use of flame retardants, elimination of oxidants, and reduction of heat generation and accumulation. Challenges and future directions are outlined, highlighting the need for standardized designs, automation, and safer, more sustainable recycling infrastructure. Furthermore, this review is distinguished by its focused analysis of preprocessing and deactivation steps, with particular attention to the thermal safety engineering aspects of LIB recycling.
Thermoelectric responses in two-dimensional electron gases subjected to magnetic fields have the potential to provide unique information about quasiparticle statistics. In this study, we show that chiral edge states play a key role in thermoelectric Hall bar measurements by completely controlling the direction of the internal thermal gradient. To this end, we perform measurements of the magnetothermoelectric responses of cadmium arsenide quantum wells. The magnetothermoelectric responses in the quantum Hall regime agree with theoretical predictions if one considers the role of chiral edge states, which flow in opposite directions on either side of the Hall bar and establish an internal temperature gradient that is perpendicular to the externally applied thermal gradient. We show that the results are self-consistent within this picture under different measurement conditions. We discuss potential applications of the findings, such as in nanoscale control of local temperature gradients and thermoelectric effects along with the characterization of other topological systems with chiral edges states.
ABSTRACT We study galaxy interactions in the large-scale environment around A2670, a massive (M200 = $8.5 \pm 1.2~\times 10^{14} \, \mathrm{{M}_{\odot }}$) and interacting galaxy cluster at z = 0.0763. We first characterize the environment of the cluster out to 5× R200 and find a wealth of substructures, including the main cluster core, a large infalling group, and several other substructures. To study the impact of these substructures (pre-processing) and their accretion into the main cluster (post-processing) on the member galaxies, we visually examined optical images to look for signatures indicative of gravitational or hydrodynamical interactions. We find that ∼21 per cent of the cluster galaxies have clear signs of disturbances, with most of those (∼60 per cent) likely being disturbed by ram pressure. The number of ram-pressure stripping candidates found (101) in A2670 is the largest to date for a single system, and while they are more common in the cluster core, they can be found even at >4 × R200, confirming cluster influence out to large radii. In support of a pre-processing scenario, most of the disturbed galaxies follow the substructures found, with the richest structures having more disturbed galaxies. Post-processing also seems plausible, as many galaxy–galaxy mergers are seen near the cluster core, which is not expected in relaxed clusters. In addition, there is a comparable fraction of disturbed galaxies in and outside substructures. Overall, our results highlight the complex interplay of gas stripping and gravitational interactions in actively assembling clusters up to 5 × R200, motivating wide-area studies in larger cluster samples.
The Palisades Nuclear Generating Station included in its original surveillance program a surveillance capsule, designated A-60. The capsule was removed from its surveillance position in early 1995 and has been resident in the spent fuel pool since that time. It was harvested to perform characterization of surveillance specimens in this capsule in 2023. This capsule was irradiated to a fluence of 1.96x1020 n/cm2 (E> 1MeV) that is equivalent for more than 150 effective full power years for the current US reactor pressure vessel (RPV) fleet. This capsule contained several materials, including Charpy specimens of standard reference material (SRM) from Heavy-Section Steel Technology (HSST) A533-B Plate 01. To perform Charpy testing of this highly irradiated material, the new Charpy specimen transfer system was designed and implemented on Charpy impact testing machine in the hot cell to accommodate remote testing of these specimens. This new transfer system includes integrated environmental chamber to cool or heat Charpy specimens to the desired temperature. Testing of this highly irradiated material revealed very large shift of Charpy transition temperature, 188oC.
The double shell is a volume-burn inertial confinement fusion concept consisting of two concentric shells: a low-Z outer shell that collides with and transfers momentum to a high-Z inner shell which compresses and heats the thermonuclear fuel. The increased number of capsule interfaces and severe hydrodynamic instability of the high-density pusher during its acceleration phase provide challenges to the success of the double shell. Two-dimensional radiation-hydrodynamics simulations predict the hydrodynamic instability growth on the outer surface of the pusher can be greatly reduced through appropriate timing of two shocks that cross this interface. One of these shocks, unique to multi-shell designs, arises from radiation-driven ablation of the inner shell ahead of the main shock, the second shock of concern. The shock timing is optimized by increasing the thickness of a low-Z tamper layer exterior to the pusher, resulting in only minimal changes to the implosion timing. Reducing the instability growth on the outer surface of the high-Z pusher can dramatically decrease the modulations that feedthrough to the pusher inner surface, improving the efficacy of radiation trapping in the thermonuclear fuel and increasing the predicted thermonuclear yield by ≳20×.
This study examines the impact of helium-ion irradiation on the thermal conductivity of ß-Ga2O3. A laser-based spatial domain thermoreflectance technique is used to investigate thermal conductivity map for both un-irradiated and irradiated ß-Ga2O3, which are then validated against simulation results derived from density functional theory-based phonon transport simulations. Since helium bubble evolution was ob- served at the nanoscale using transmission electron microscopy, the simulation study was carried out on eight distinct helium-induced sites in ß-Ga2O3. Our findings indicate a reduction in thermal conductivity for the irradiated samples. Experimental results show a significant reduction in thermal conductivity in irradiated samples, with de- creases of approximately 25% along the [100] direction and 40% along [001] directions. Phonon transport simulations closely replicate these findings, particularly when helium occupying interstitial sites, predicting reductions of ˜53% along [100] and ˜50% along [001] directions. This work underscores the role of irradiation-induced microstructural changes in the heat transport properties of ß-Ga2O3 which is crucial for its application in sensor devices in extreme environments.
Summertime tropical upper-tropospheric troughs (TUTTs) provide a unified framework to better understand how extratropical and tropical forcings jointly modulate basin-scale tropical cyclone (TC) activity. In this study, we examine future changes in TUTTs and their implications for TC activity. Multimodel ensemble-mean projections from 45 Coupled Model Intercomparison Project phase 6 (CMIP6) models suggest a contraction of the Pacific TUTT and an expansion of the Atlantic TUTT as the climate warms. Consistently, future changes in environment-based TC indices indicate that the large-scale conditions will become more favorable for TC genesis and intensification over the central North Pacific but less favorable over the tropical North Atlantic and Gulf of Mexico. Utilizing a TC-permitting large-ensemble dataset [i.e., the Database for Policy Decision-Making for Future Climate Change (d4PDF)] that adequately captures the observed interannual TUTT–TC relationships, we further confirm the impacts of projected TUTT changes on the TC activity in a warmer climate. In contrast, the TUTT–TC relationship is poorly represented in most CMIP6 High-Resolution Model Intercomparison Project (HighResMIP) models; such deficiencies call for caution when assessing future TC risk based on explicitly tracked TCs in these models. Additionally, CMIP6 projections show large intermodel spread in TUTT changes, implying uncertainty in projected TC activity, especially over the central-to-eastern Pacific and the North Atlantic. This intermodel spread is associated with interhemispheric sea surface temperature warming asymmetry, which leads to a meridional shift of the intertropical convergence zone (ITCZ) and the simultaneous weakening or strengthening of TUTTs in the North Pacific and North Atlantic. The potential contributions of anthropogenic aerosol forcing and oceanic circulation to this interhemispheric warming asymmetry are briefly examined.
Numerical studies of core-collapse supernovae have demonstrated the importance of nonradial motions in precollapse progenitors on the explosion outcome. We use the Chimera neutrino radiation hydrodynamics code running seven two-dimensional simulations of 15 M⊙ progenitors with different progenitor structures introduced by different one- and two-dimensional precollapse stellar evolution environments to examine the impacts of stellar structure and nonspherical motion in the precollapse progenitor on the development of explosions. We compare the explosion evolution of these models in terms of shock dynamics, diagnostic energy, neutrino heating, accretion, explosion geometry, nuclear abundances, and turbulent convection. We also analyze how stochastic variation impacts our simulations. Contrary to results reported in prior studies examining the impacts of multidimensional progenitors, we observe similar shock revival times and explosion development in our simulations despite differences in initial compositions and structures. We find no discernible impact from the accretion of nonradial perturbations from a multi-D progenitor onto the stalled shock in the revival and strength of explosion, as fully developed neutrino-driven convection behind the stalled shock is similar for all our models. For models with physically sourced noise in the iron core, a strong oscillation of the shock occurs after bounce and deflects infall laterally, and accelerates the saturation of the lateral turbulent kinetic energy. An examination of model stochasticity shows that any prior expected impacts on explosive outcome due to convection-related perturbations lie below the detectable threshold of numerical variation.