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Structural, magnetic and electrical transport properties of YMnAl

The intermetallic compound YMnAl, crystallizing in the cubic C-15 (MgCu 2 -type) structure, was prepared using arc-melting and annealing. Rietveld refinement of the XRD pattern yields a lattice parameter of a = 7.816(1) Å⁠. The system exhibits antiferromagnetic order with a transition temperature of approximately 38 K, along with indications of a spin-glass–like phase. The effective magnetic moment, estimated from Curie–Weiss fitting of the susceptibility versus temperature curve, is 6.06 μ B /f.u. and the Curie–Weiss temperature of −79 K confirming the antiferromagnetic nature. Isothermal magnetization measurements below and above the Néel temperature show no saturation, with a maximum magnetization of 0.09 μ B /f.u observed at an applied field of 9 T. The temperature dependence of resistivity exhibits a negative temperature coefficient, characteristic of dirty metals. Hall effect measurements indicate the absence of an anomalous Hall contribution. The Hall coefficient RH, carrier concentration n, and mobility μ estimated from R XY (H) are -1.05×10 -8 m 3 /C, 5.92×10 26 m -3 and 1.05×10 -3 m 2 /V.s, respectively. Our first-principles calculations indicate that YMnAl in the orthorhombic (Imma) structure has the lowest energy; however, the substitutional disorder occurring during experimental synthesis may favor the formation of the cubic Laves phase.

Crystallography↗

A radar view of ice microphysics and turbulence in Arctic cloud systems

Ice microphysical processes are inherently complex because of their sensitivity to temperature and humidity, the diversity of ice crystal habits, and their interaction with supercooled liquid water (SCL) and turbulence. Long-term surface-based radar observations have been systematically used to unravel the different processes that affect ice particle growth. In this study, we present a statistical analysis of 6.5 years of Ka-band radar observations in Arctic cloud systems, combined with thermodynamic profiles derived from radiosonde measurements. For the first time, ice particle growth and sublimation – diagnosed from vertical gradients of radar reflectivity and mean Doppler velocity – are systematically mapped across a broad range of temperature and moisture conditions. These vertical gradients correspond closely to saturation levels relative to ice and exhibit a strong temperature dependence in supersaturated regions. Notably, distinct signatures near −15 °C are indicative of dendritic growth. Turbulence, quantified via the eddy dissipation rate (EDR), is most frequently observed in regions containing SCL. The co-occurrence of SCL and elevated turbulence results in significantly enhanced ice particle growth compared to conditions in which either is present alone. This work provides new observational constraints that are critical for improving the representation of ice microphysics in atmospheric models.

54 ENVIRONMENTAL SCIENCES↗

Evidence of decoupling of surface and bulk states in Dirac semimetal Cd 3 As 2

Abstract Dirac semimetals have attracted a great deal of current interests due to their potential applications in topological quantum computing, low-energy electronic devices, and single photon detection in the microwave frequency range. Herein are results from analyzing the low magnetic ( B ) field weak-antilocalization behaviors in a Dirac semimetal Cd 3 As 2 thin flake device. At high temperatures, the phase coherence length l ϕ first increases with decreasing temperature ( T ) and follows a power law dependence of l ϕ ∝ T −0.4 . Below ∼3 K, l ϕ tends to saturate to a value of ∼180 nm. Another fitting parameter α , which is associated with independent transport channels, displays a logarithmic temperature dependence for T > 3 K, but also tends to saturate below ∼3 K. The saturation value, ∼1.45, is very close to 1.5, indicating three independent electron transport channels, which we interpret as due to decoupling of both the top and bottom surfaces as well as the bulk. This result, to our knowledge, provides first evidence that the surfaces and bulk states can become decoupled in electronic transport in Dirac semimetal Cd 3 As 2 .

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Effect of radial pressure corrugations and profile shearing on turbulence in Fusion plasmas

Microturbulence can produce stationary fine-scale radial corrugations on the plasma density and temperature gradients in magnetic confinement fusion devices. We show that these structures play a significant role in regulating turbulent transport. We focus on the pedestal, studying electron-temperature-gradient (ETG) mode destabilisation and saturation in the presence of radial corrugations on the electron temperature gradient that could result from microtearing turbulence. A linear dispersion relation is derived for a shearless slab case, which indicates that in the presence of a sinusoidal background corrugation, each ETG mode splits into three distinct eigenvalues, with one being the original, one being more unstable and one being less unstable. However, despite the presence of more unstable linear modes, nonlinear gyrokinetic simulations of ETG with corrugated background electron temperature show a reduction of fluxes. Our investigation reveals a radial variation of the phase velocity of the modes that is proportional to the diamagnetic drift velocity and the local pressure gradient. The associated profile shearing breaks the turbulent eddies apart, reducing the transport level. This profile shearing resulting from fine-scale pressure corrugations could be a ubiquitous turbulence saturation mechanism not just in Fusion plasmas, but in Astrophysics and other areas.

FOS: Physical sciences↗

Robust antiferromagnetism in Y 2 Co 3

We report on a solution-growth based method to synthesise single crystals of Y 2 Co 3 and on its structural and magnetic properties. We find that Y 2 Co 3 crystallizes in the La 2 Ni 3 -type orthorhombic structure with space group Cmce (No. 64), with Co forming distorted kagome lattices. Y 2 Co 3 orders antiferromagnetically below TN=252 K. Magnetization measurements reveal that the moments are primarily aligned along the b axis with evidence for some canting. Band-structure calculations indicate that ferromagnetic and antiferromagnetic orders are nearly degenerate, at odds with experimental results. Magnetization measurements under pressure up to 1 GPa reveal that the Néel temperature decreases with the slope of -1.69 K/GPa. We observe a field-induced spin-flop transition in the magnetization measurements at 1.5 K and 21 T with magnetic field along the b direction. The magnetization is not saturated up to 35 T, indicating that the antiferromagnetic ordering in Y 2 Co 3 is quite robust, which is surprising for such a Co-rich intermetallic.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Experimental and theoretical investigation of FeCrVAl and related compounds

Abstract We have carried out a combined theoretical and experimental investigation of FeCrVAl, and the effect of Mn and Co doping on its structural, magnetic, and electronic band properties. Our first principles calculations indicate that FeCrVAl, FeCr 0.5 Mn 0.5 VAl, and FeCr 0.5 Co 0.5 VAl exhibit nearly perfect spin polarization, which may be further enhanced by mechanical strain. At the same time, FeCrV 0.5 Mn 0.5 Al and FeCrV 0.5 Co 0.5 Al exhibit a relatively small value of spin polarization, making them less attractive for practical applications. Using arc melting and high vacuum annealing, we synthesized three compounds FeCrVAl, FeCr 0.5 Mn 0.5 VAl, and FeCr 0.5 Co 0.5 VAl, which are predicted to exhibit high spin polarization. The room temperature x-ray diffraction patterns of all samples are fitted with full B2 type disorder with a small amount of FeO 2 secondary phase. All samples show very small saturation magnetizations at room temperature. The thermomagnetic curves M(T) of FeCrVAl and FeCr 0.5 Co 0.5 VAl are similar to that of a paramagnetic material, whereas that of FeCr 0.5 Mn 0.5 VAl indicates ferrimagnetic behavior with the Curie temperature of 135 K. Our findings may be of interest for researchers working on Heusler compounds for spin-based electronic applications.

Physics↗

High Field Transport in (Ultra) Wide Bandgap Semiconductors: Diamond Versus Cubic GaN

We provide an analysis of nonlinear transport in diamond and cubic GaN (c-GaN) with emphasis on the different types of optical phonon scattering [i.e., optical deformation potential (ODP) scattering versus polar optic phonon (POP) scattering] limiting the carrier velocity. Both types of carrier mobilities and carrier saturation (peak) velocities in diamond and c-GaN as functions of different doping types and concentrations are obtained by directly solving the Boltzmann equation. Our model indicates that the nonrandomizing nature of POP scattering causes carrier temperature cooling, resulting in higher carrier drift velocity than with ODP scattering. This effect, in addition to the small carrier effective masses and large optical phonon energies, is responsible for the higher peak velocities in c-GaN, compared to carrier drift velocity in diamond.

42 ENGINEERING↗

Simulations of grain growth in tungsten armor materials under ARC plasma edge operation conditions using an integrated plasma-edge/materials model

An integrated model of grain growth deuterium-exposed tungsten polycrystals, consisting of a two-dimensional vertex dynamics model fitted to atomistic data, has been developed to assess the grain growth kinetics of deuterium-exposed polycrystalline tungsten (W). The model tracks the motion of grain boundaries under the effect of driving forces stemming from grain boundary curvature and differential deuterium concentration accumulation. Here, we apply the model to experimentally synthesized tungsten polycrystals under deuterium-saturated conditions relevant to the ARC concept design. The results indicate rapid grain growth kinetics in the near-surface region adjacent to the plasma, where the temperature reaches 1400 K, whereas the microstructure remains stable deeper in the material with the lower temperature of 1000 K. The combined modeling and analysis further reveal that monolithic tungsten produced via conventional fabrication routes is highly susceptible to grain coarsening at temperatures exceeding 1000 K, largely independent of the magnitude of the applied driving force. Moreover, the accumulation of deuterium near grain boundaries has a pronounced inhibitory effect on grain boundary migration. High-angle grain boundaries ( > 50°) contribute more significantly to the overall grain growth process.

36 MATERIALS SCIENCE↗

Bulk Viscous Damping of Density Oscillations in Neutron Star Mergers

In this paper, we discuss the damping of density oscillations in dense nuclear matter in the temperature range relevant to neutron star mergers. This damping is due to bulk viscosity arising from the weak interaction “Urca” processes of neutron decay and electron capture. The nuclear matter is modelled in the relativistic density functional approach. The bulk viscosity reaches a resonant maximum close to the neutrino trapping temperature, then drops rapidly as temperature rises into the range where neutrinos are trapped in neutron stars. We investigate the bulk viscous dissipation timescales in a post-merger object and identify regimes where these timescales are as short as the characteristic timescale ~10 ms, and, therefore, might affect the evolution of the post-merger object. Our analysis indicates that bulk viscous damping would be important at not too high temperatures of the order of a few MeV and densities up to a few times saturation density.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Reservoir Temperature Estimator (RTEst): A multicomponent geothermometry tool

The Reservoir Temperature Estimator (RTEst) is a multicomponent geothermometry tool for estimating reservoir geochemical parameters including reservoir temperature, CO 2 fugacity, mass of water lost or gained, and a reaction factor. It estimates these parameters and their associated uncertainties by minimizing an objective function that is the weighted sum of squares of the saturation indices of a user-selected set of minerals believed to be equilibrated with the reservoir fluid. RTEst accomplishes these estimates by combining the geochemical modeling capabilities of The Geochemist’s Workbench® with the optimization/parameter estimation resources of PEST®. An included interface aids the user in selecting plausible mineral phases to comprise the objective function and calculates their weighting factors. The working principles of RTEst are described and its efficacy is illustrated by presenting results of its application to various geothermal fields with known conditions. These examples show RTEst can account for the alteration of ascending reservoir fluid by mineral (calcite) re-equilibration with changes in temperature, reconstruct waters with CO 2 loss, correct for the deficit of water and other volatiles (CO 2,gas , H 2 S gas ) from boiling, and determine the amount of mixing of thermal and non-thermal waters. RTEst can use data with basis species below detection limit, missing, or unreliable either by assuming equilibrium with a controlling mineral (fixed-analyte method) or by treating the analyte concentration as an optimization parameter. The inverse of variance weighting method included in RTEst provides more representative results than either the normalization or unit weighting methods. Finally, the ability of RTEst to calculate reservoir temperatures, gas fugacity, and mixing fractions demonstrates its usefulness as a tool for evaluating geothermal systems.

15 GEOTHERMAL ENERGY↗

Weather data at The Morton Arboretum 2017-2023

We have been monitoring long-term weather patterns using two weather stations at The Morton Arboretum to link environmental conditions to tree growth and other tree responses. This data package contains weather data at The Morton Arboretum from 2017-08-23 to 2023-12-31; data is located in the "MortonWeatherData2017_2023.csv" file. The two weather stations are located on each side of The Arboretum (e.g., the Nursery station on the East side and the Ware Field station on the West side; the two weather stations are 3.23 km apart and coordinates are included in the "Location_metadata.csv" file). Measured variables include rain accumulation, air temperature, relative humidity, three soil moisture/temperature measurements at various depths (10, 30, and 50 cm for the Nursery weather station, and 10, 25, and 50 cm for the Ware Field), solar radiation, saturation vapor pressure, and vapor pressure deficit.

54 ENVIRONMENTAL SCIENCES↗

Duke Forest FACE (FACTS-I): Meteorological and Soil Data

This dataset, collected from Duke Forest Free Air CO2 Enrichment (FACE) – Forest-Atmosphere Carbon Transfer and Storage (FACTS-I) experiment, includes variables describing the meteorological conditions above canopy, within canopy, and soil depending on the variable. The Duke FACE experiment was located in a loblolly pine (Pinus taeda L.) plantation established in 1983. Naturally regenerated broadleaved species including sweetgum (Liquidambar styraciflua L.) and tulip poplar (Liriodendron tulipifera L.), mostly in the overstory, and winged elm (Ulmus alata Michx.) and red maple (Acer rubrum L.) were common in the understory. The FACE experiment commenced with two plots (plots 7-8) in 1994 (Oren et al. 2001), with six additional plots (plots 1-6) coming online on 27 August 1996. The CO2 enrichment was terminated on 31 October 2010 and post-enrichment data collection continued through 2012. Complete fertilization was applied annually to half of plots 7-8 from 1998 to 2004. The nutrient addition experiment expanded to half of plot 1-6 with a common protocol of N-fertilization in 2005. N-fertilization continued until 2012. The data range varied by sensor availability. A summary of information about variable name and data range can be found in the ‘FileDescription_[variable_name].txt’ files.

54 ENVIRONMENTAL SCIENCES↗

Low–severity fire as a mechanism of organic matter protection in global peatlands: Thermal alteration slows decomposition

Worldwide, regularly-recurring wildfires shape many peatland ecosystems to the extent that fire-adapted species often dominate plant communities, suggesting that wildfire is an integral part of peatland ecology rather than an anomaly. The most destructive blazes are smoldering fires that are usually initiated in periods of drought and can combust entire peatland carbon stores. However, peatland wildfires more typically occur as low-severity surface-burns that arise in the dormant season when vegetation is desiccated, and soil moisture is high. In such low-severity fires, surface layers experience flash heating, but there is little loss of underlying peat to combustion. This study examines the potential importance of such processes in several peatlands that span a gradient from hemiboreal to tropical ecozones and experience a wide range of fire return intervals. We show that low-severity fires can increase the pool of stable soil carbon by thermally altering the chemistry of soil organic matter (SOM), thereby reducing rates of microbial respiration. Using XPS and FTIR, we demonstrate that low-severity fires significantly increase the degree of carbon-condensation and aromatization of SOM functional groups, particularly on the surface of peat aggregates. Laboratory incubations show lower CO 2 emissions from peat subjected to low-severity fire, and predict lower cumulative CO 2 emissions from burned peat after one to three years. Also, low-severity fires reduce the temperature sensitivity (Q 10 ) of peat, indicating that these fires can inhibit microbial access to SOM. The increased stability of thermally-altered SOM may allow a greater proportion of organic matter to survive vertical migration into saturated and anaerobic zones of peatlands where environmental conditions physiochemically protect carbon stores from decomposition for thousands of years. Furthermore, across latitudes, low-severity fire is an overlooked factor influencing carbon cycling in peatlands, which is relevant to global carbon budgets as climate-change alters fire regimes worldwide.

54 ENVIRONMENTAL SCIENCES↗

Engineering and Application of a Thermostable MHETase for PET Depolymerization

Enzymatic hydrolysis of poly(ethylene terephthalate) (PET) releases mono(2-hydroxyethyl) terephthalate (MHET) as a major product, the accumulation of which can prolong reactor residence times and complicate downstream monomer separations. The use of a MHETase enzyme can enable MHET hydrolysis to the monomers, terephthalic acid and ethylene glycol, but industrial PETases typically operate at thermophilic temperatures and the well-known MHETase from Ideonella sakaiensis is a mesophilic enzyme, thus warranting the development of thermophilic MHETases. Here, we characterize thermostable MHET-active enzymes from a natural diversity screen by applying a hidden Markov model based on the previously reported, archaeal ferulic acid esterase, PET46. We identified enzymes with higher thermostability than PET46 and quantified their MHETase activity in reactions at 70 °C. The crystal structure of MHT077, the homologue with the highest MHETase activity and an apparent melting temperature (T m,app ) of 94.6 °C, informed site saturation mutagenesis in the active site and lid-domain interface. MHT077 exhibited a ∼100-fold slower unfolding rate at 65 °C than PET46, indicating substantially greater kinetic stability. In parallel, we applied evolution-informed design, a probabilistic model that leverages coevolutionary patterns in large multiple sequence alignments, to improve the activity and thermostability of five ferulic acid esterases. One design, EV-MHT043–5 was identified with a comparable thermostability (T m,app = 96.1 °C) and a 3-fold improvement in its MHETase activity relative to the wildtype enzyme, MHT043. Combination variants of beneficial mutations were screened and afforded a variant, MHT077 LFK , which reduced MHET accumulation in bioreactor experiments with postconsumer PET waste. Overall, this study expands the known MHET-hydrolyzing protein scaffolds available for enzymatic PET recycling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modifying magnetic properties of MnBi with carbon: an experimental and theoretical study

MnBi and MnBi-based materials have been investigated as prospective rare-earth-free permanent magnets with moderate energy product. One of the main issues with MnBi synthesis is the presence of residual Bi in the sample which reduces the net magnetization. Here, we have found that MnBi synthesized in the presence of carbon substantially reduces the amount of residual Bi, improving its saturation magnetization. We have synthesized Mn 55 Bi 45 and Mn 55 Bi 45 C x samples using arc melting and high-vacuum annealing. The room temperature x-ray diffraction patterns indicate that both Mn 55 Bi 45 and Mn 55 Bi 45 C x crystallize in the hexagonal NiAs-type structure. The Rietveld analysis of the x-ray patterns shows that the amount of residual Bi reduces from 16 wt.% for Mn 55 Bi 45 to 5 wt.% for Mn 55 Bi 45 C x . The high-field (3 T) magnetizations measured at room temperature are 61 emu g –1 and 66 emu g –1 for Mn 55 Bi 45 and Mn 55 Bi 45 C x , respectively. To understand the role of C in enhancing the magnetization of MnBi, we carried out the first-principles calculations of both stoichiometric and nonstoichiometric MnBi alloys, which suggests that the increase of magnetization in Mn 55 Bi 45 C x may be due to the coating of MnBi grains with C.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Facile diamond synthesis from lower diamondoids

Carbon-based nanomaterials have exceptional properties that make them attractive for a variety of technological applications. Here, we report on the use of diamondoids (diamond-like, saturated hydrocarbons) as promising precursors for laser-induced high-pressure, high-temperature diamond synthesis. The lowest pressure and temperature $(P-T)$ conditions that yielded diamond were 12 GPa (at ~2000 K) and 900 K (at ~20 GPa), respectively. This represents a substantially reduced transformation barrier compared with diamond synthesis from conventional (hydro)carbon allotropes, owing to the similarities in the structure and full sp 3 hybridization of diamondoids and bulk diamond. At 20 GPa, diamondoid-to-diamond conversion occurs rapidly within <19 μs. Molecular dynamics simulations indicate that once dehydrogenated, the remaining diamondoid carbon cages reconstruct themselves into diamond-like structures at high $P-T$. This study is the first successful mapping of the $P-T$ conditions and onset timing of the diamondoid-to-diamond conversion and elucidates the physical and chemical factors that facilitate diamond synthesis.

36 MATERIALS SCIENCE↗

Star-spots and magnetism: testing the activity paradigm in the Pleiades and M67

We measure star-spot filling fractions for 240 stars in the Pleiades and M67 open star clusters using APOGEE high-resolution H-band spectra. For this work, we developed a modified spectroscopic pipeline which solves for star-spot filling fraction and star-spot temperature contrast. We exclude binary stars, finding that the large majority of binaries in these clusters (80 per cent) can be identified from Gaia DR3 and APOGEE criteria – important for field star applications. Our data agree well with independent activity proxies, indicating that this technique recovers real star-spot signals. In the Pleiades, filling fractions saturate at a mean level of 0.248 ± 0.005 for active stars with a decline at slower rotation; we present fitting functions as a function of Rossby number. In M67, we recover low mean filling fractions of 0.030 ± 0.008 and 0.003 ± 0.002 for main sequence GK stars and evolved red giants, respectively, confirming that the technique does not produce spurious spot signals in inactive stars. Star-spots also modify the derived spectroscopic effective temperatures and convective overturn time-scales. Effective temperatures for active stars are offset from inactive ones by −109 ± 11 K, in agreement with the Pecaut & Mamajek empirical scale. Star-spot filling fractions at the level measured in active stars changes their inferred overturn time-scale, which biases the derived threshold for saturation. Finally, we identify a population of stars statistically discrepant from mean activity–Rossby relations and present evidence that these are genuine departures from a Rossby scaling. Our technique is applicable to the full APOGEE catalogue, with broad applications to stellar, galactic, and exoplanetary astrophysics.

79 ASTRONOMY AND ASTROPHYSICS↗