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At least 343 records · Page 19

Lattice response to ambient self-irradiation of δ-phase 239 Pu-Ga alloys exposed to cryogenic temperatures

Self-irradiation in plutonium is a continuous process that introduces radiation damage ranging from point defects to nanoscale radiation damage as well as decay daughter product impurities that require to be accommodated by the host material. These changes are affecting the structure and properties of the material by lattice swelling, mechanical strengthening, and other alterations. X-ray diffraction and dilatometry studies have shown that the room temperature self-irradiation of δ-phase Pu-Ga alloys (2 and 7 at%Ga) results in swelling of the lattice that saturates after 0.1–0.2 displacement per atom (dpa) of accumulated lattice damage. Here, for a better understanding of these self- irradiation processes, defect accumulation and damage evolution, this time-of-flight neutron diffraction study investigates the impact of ambient self-irradiation effects on the structural evolution of δ-phase 239 Pu-Ga alloys exposed to cryogenic temperatures (<120 K), associated with a varied history of storage time and thermal treatments. Two key behaviors were observed in the lattice evolution after exposure to cryogenic temperatures with respect to room-temperature accumulated self-irradiation damage. Samples with no self- irradiation damage accumulation under ambient conditions showed swelling of the lattice at the end of the measurement, while samples that accumulated significant self-irradiation damage under ambient conditions showed only a partial recovery of the lattice parameter value upon completion of the measurements (cooling followed by heating back to room temperature). Possible causes of the behavior are proposed, and their associated effects are discussed.

36 MATERIALS SCIENCE↗

High-throughput identification of novel heat tolerance genes via genome-wide pooled mutant screens in the model green alga Chlamydomonas reinhardtii

Different high temperatures adversely affect crop and algal yields with various responses in photosynthetic cells. The list of genes required for thermotolerance remains elusive. Additionally, it is unclear how carbon source availability affects heat responses in plants and algae. Here, we utilized the insertional, indexed, genome-saturating mutant library of the unicellular, eukaryotic green alga Chlamydomonas reinhardtii to perform genome-wide, quantitative, pooled screens under moderate (35°C) or acute (40°C) high temperatures with or without organic carbon sources. We identified heat-sensitive mutants based on quantitative growth rates and identified putative heat tolerance genes (HTGs). By triangulating HTGs with heat-induced transcripts or proteins in wildtype cultures and MapMan functional annotations, we presented a high/medium-confidence list of 933 Chlamydomonas genes with putative roles in heat tolerance. Triangulated HTGs include those with known thermotolerance roles and novel genes with little or no functional annotation. About 50% of these high-confidence HTGs in Chlamydomonas have orthologs in green lineage organisms, including crop species. Arabidopsis thaliana mutants deficient in the ortholog of a high-confidence Chlamydomonas HTG were also heat sensitive. This work expands our knowledge of heat responses in photosynthetic cells and provides engineering targets to improve thermotolerance in algae and crops.

59 BASIC BIOLOGICAL SCIENCES↗

Revealing Robust Room Temperature Ferromagnetism in Gd‐Doped Few‐Layered MoS 2 Thin Films

2D MoS 2 holds great promise for spintronics, yet is limited by intrinsic diamagnetism. This study demonstrates inducing ferromagnetic behavior in MoS 2 films doped with 0.47% Gd, achieving an ultrahigh saturation magnetization of 454 emu/cm 3 in a few‐layered film over 11‐times higher than bulk films (40 nm). Raman spectroscopy, X‐ray photoelectron spectroscopy, X‐ray magnetic circular dichroism, and density functional theory (DFT) calculations reveal an interplay between Gd dopants and Mo, S vacancies (V 1Mo+2S ), leading to the formation of bound magnetic polarons (BMPs) that drive ferromagnetic ordering. H 2 S annealing and DFT calculations reveal that defect healing reduces the saturation magnetization by 83%. High sulfur migration barrier in few‐layered films helps preserve BMPs, thereby sustaining ferromagnetism, whereas lower migration barriers in bulk films lead to suppression. These findings highlight the synergy between Gd doping and defect engineering in achieving ultrahigh room‐temperature ferromagnetism, offering a scalable strategy for developing high‐performance 2D magnetic materials for spintronic applications.

36 MATERIALS SCIENCE↗

Suppressing Charged Cation Antisites via Se Vapor Annealing Enables p-Type Dopability in AgBiSe 2 –SnSe Thermoelectrics

Cation disordering is commonly found in multinary cubic compounds, but its effect on electronic properties has been neglected because of difficulties in determining the ordered structure and defect energetics. An absence of rational understanding of the point defects present has led to poor reproducibility and uncontrolled conduction type. AgBiSe 2 is a representative compound that suffers from poor reproducibility of thermoelectric properties, while the origins of its intrinsic n-type conductivity remain speculative. Here, it is demonstrated that cation disordering is facilitated by Bi Ag charged antisite defects in cubic AgBiSe 2 which also act as a principal donor defect that greatly controls the electronic properties. Using density functional theory calculations and in situ Raman spectroscopy, how saturation annealing with selenium vapor can stabilize p-type conductivity in cubic AgBiSe 2 alloyed with SnSe at high temperatures is elucidated. With stable and controlled hole concentration, a peak is observed in the weighted mobility and the density-of-states effective mass in AgBiSnSe 3 , implying an increased valley degeneracy in this system. These findings corroborate the importance of considering the defect energetics for exploring the dopability of ternary thermoelectric chalcogenides and engineering electronic bands by controlling self-doping.

36 MATERIALS SCIENCE↗

Phenomenological model of the third-harmonic magnetic response due to superconducting fluctuations: Application to Sr 2 RuO 4

Here, we employ the phenomenological Lawrence-Doniach model to compute the contributions of the superconducting fluctuations to the third-harmonic magnetic response, denoted here by $\bar{M_3}$, which can be measured in a precise way using ac magnetic fields and lock-in techniques. We show that, in an intermediate temperature regime, this quantity behaves as the third-order nonlinear susceptibility, which shows a power-law dependence with the reduced temperature ε = $\frac{T-T_c}{T_c}$ as ε -5/2 . Very close to T c , however, $\bar{M_3}$ saturates due to the nonzero amplitude of the ac field. We compare our theoretical results with experimental data for three conventional superconductors—lead, niobium, and vanadium—and for the unconventional superconductor Sr 2 RuO 4 (SRO). We find good agreement between theory and experiment for the elemental superconductors, although the theoretical values for the critical field systematically deviate from the experimental ones. In the case of SRO, however, the phenomenological model completely fails to describe the data, as the third-harmonic response remains sizable over a much wider reduced temperature range compared to Pb, Nb, and V. We show that an inhomogeneous distribution of T c across the sample can partially account for this discrepancy, since regions with a locally higher T c contribute to the fluctuation $\bar{M_3}$ significantly more than regions with the “nominal” T c of the clean system. However, the exponential temperature dependence of $\bar{M_3}$ first reported by Pelc et al. [Nat. Commun. 10, 2729 (2019)] is not captured by the model with inhomogeneity. We conclude that, while inhomogeneity is an important ingredient to understand the superconducting fluctuations of SRO and other perovskite superconductors, additional effects may be at play, such as non-Gaussian fluctuations or rare-region effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Quantum Emitters Induced by High Pressure and UV Laser Irradiation in Multilayer GaSe

In this work, we report on defect generation in multilayer GaSe through hydrostatic pressure quenching and UV laser irradiation. The Raman line width from the UV 266 nm irradiated sample is much wider than that in pressure-quenched GaSe, corresponding to a wider defect energy distribution range in the former sample than the latter. After quenching from 11.2 GPa, three photoluminescence (PL) peaks from defect states are observed at 657, 681, and 695 nm at a low temperature of 93 K. Defect-related peaks at 649, 694, 750, and 774 nm also appear in low-temperature PL spectra after UV laser irradiation, with a nonmonotonous intensity dependence on irradiation duration. There are common features in defects produced by these two methods: the PL peaks with the lowest energy are sharp, and their PL intensities increase linearly with the excitation laser power and saturate above a certain excitation laser power. These two features are similar to those in defects for single-photon emission (SPE) in other 2D materials at even lower temperatures. Fluorescence lifetime imaging shows distinguished short (2.3 ns) and long (75.6 nm) lifetimes of the 695 nm PL line in pressure-quenched GaSe. The density functional theory predicts defect energy levels related to Se vacancy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evidence of Magnon-Mediated Orbital Magnetism in a Quasi-2D Topological Magnon Insulator

Here, we explore spin dynamics in Cu(1,3-bdc), a quasi-2D topological magnon insulator. The results show that the thermal evolution of the Landé $\textit{g}$ factor ($\textit{g}$) is anisotropic: $g_{\text{in-plane}}$ decreases while $g_{\text{out-of-plane}}$ increases with increasing temperature $\textit{T}$. Moreover, the anisotropy of the $\textit{g}$ factor (Δ$\textit{g}$) and the anisotropy of saturation magnetization ($ΔM_s$) are correlated below 4 K, but they diverge above 4 K. We show that the electronic orbital moment contributes to the g anisotropy at lower $\textit{T}$, while the topological orbital moment induced by thermally excited spin chirality dictates the g anisotropy at higher $\textit{T}$. Our work suggests an interplay among topology, spin chirality, and orbital magnetism in Cu(1,3-bdc).

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Room temperature multiferroicity and magnetodielectric coupling in 0–3 composite thin films

Magnetoelectric (ME) composite thin films are promising candidates for novel applications in future nanoelectronics, spintronics, memory and other multifunctional devices as they exhibit much higher ME coupling and transition temperatures (Tc) than well-known single phase multiferroics discovered to date. Among the three types of multiferroic composite nanostructures, (2-2) layered and (1-3) vertically aligned composite nanostructures exhibit comparatively smaller ME coupling due to different shortcomings which restrict their use in many applications. Here we study the morphological, piezoresponse force microscopic (PFM), ferroelectric, magnetic, and magnetodielectric properties of 0-3 (magnetic nanoparticles (0) homogeneously distributed in ferroelectric matrices (3)) multiferroic composite thin films. The Pb(Fe 0.5 Nb 0.5 )O 3 (PFN) - Ni 0.65 Zn 0.35 Fe 2 O 4 (NZFO) particulate composite films were synthesized by pulsed laser deposition (PLD). These particulate composite thin films are completely c-axis oriented with very low surface roughness. We observed magnetic and ferroelectric T c above room temperature (RT) for all composite thin films. The PFN-NZFO 0-3 composites exhibit large polarization, high saturated magnetization with low coercive field, low dielectric loss along with magnetodielectric coupling at RT. These nanocomposites might be utilized in next generation nano/microelectronics and spintronic devices.

36 MATERIALS SCIENCE↗

Fully Kinetic Simulations of Proton-beam-driven Instabilities from Parker Solar Probe Observations

The expanding solar wind plasma ubiquitously exhibits anisotropic nonthermal particle velocity distributions. Typically, proton velocity distribution functions (VDFs) show the presence of a core and a field-aligned beam. Novel observations made by the Parker Solar Probe (PSP) in the innermost heliosphere have revealed new complex features in the proton VDFs, namely anisotropic beams that sometimes experience perpendicular diffusion. In this study, we use a 2.5D fully kinetic simulation to investigate the stability of proton VDFs with anisotropic beams observed by PSP. Our setup consists of a core and an anisotropic beam population that drift with respect to each other. This configuration triggers a proton beam instability from which nearly parallel fast magnetosonic modes develop. Our results demonstrate that before this instability reaches saturation, the waves resonantly interact with the beam protons, causing perpendicular heating at the expense of the parallel temperature.

79 ASTRONOMY AND ASTROPHYSICS↗

Quasi-one-dimensional magnetism in the spin-12 antiferromagnet BaNa 2 Cu(VO 4 ) 2

Here, we report synthesis and magnetic properties of quasi-one-dimensional spin- 1 2 Heisenberg antiferromagnetic chain compound BaNa 2 Cu ( VO 4 ) 2 . This orthovanadate has a centrosymmetric crystal structure, C 2 / c , where the magnetic Cu 2 + ions form spin chains. These chains are arranged in layers, with the chain direction changing by 62 ° between the two successive layers. Alternatively, the spin lattice can be viewed as anisotropic triangular layers upon taking the interchain interactions into consideration. Despite this potential structural complexity, temperature-dependent magnetic susceptibility, heat capacity, electron spin resonance intensity, and nuclear magnetic resonance (NMR) shift agree well with the uniform spin- 1 / 2 Heisenberg chain model with an intrachain coupling of J / k B ≃ 5.6 K. The saturation field obtained from the magnetic isotherm measurement consistently reproduces the value of J / k B . Further, the V 51 NMR spin-lattice relaxation rate mimics the one-dimensional character in the intermediate temperature range, whereas magnetic long-range order sets in below T N ≃ 0.25 K. The effective interchain coupling is estimated to be J ⊥ / k B ≃ 0.1 K. The theoretical estimation of exchange couplings using band-structure calculations reciprocate our experimental findings and unambiguously establish the one-dimensional character of the compound. Finally, the spin lattice of BaNa 2 Cu ( VO 4 ) 2 is compared with the chemically similar but not isostructural compound BaAg 2 Cu ( VO 4 ) 2 .

36 MATERIALS SCIENCE↗

Numerical Study of Coupled Water and Vapor Flow, Heat Transfer, and Solute Transport in Variably-Saturated Deformable Soil During Freeze-Thaw Cycles

As climate change intensifies, soil water flow, heat transfer, and solute transport in the active, unfrozen zones within permafrost and seasonally frozen ground exhibit progressively more complex interactions that are difficult to elucidate with measurements alone. For example, frozen conditions impede water flow and solute transport in soil, while heat and mass transfer are significantly affected by high thermal inertia generated from water-ice phase change during the freeze-thaw cycle. To assist in understanding these subsurface processes, the current study presents a coupled two-dimensional model, which examines heat conduction-convection with water-ice phase change, soil water (liquid water and vapor) and groundwater flow, advective-dispersive solute transport with sorption, and soil deformation (frost heave and thaw settlement) in variably saturated soils subjected to freeze-thaw actions. This coupled multiphysics problem is numerically solved using the finite element method. The model's performance is first verified by comparison to a well-documented freezing test on unsaturated soil in a laboratory environment obtained from the literature. Then based on the proposed model, we quantify the impacts of freeze-thaw cycles on the distribution of temperature, water content, displacement history, and solute concentration in three distinct soil types, including sand, silt and clay textures. The influence of fluctuations in the air temperature, groundwater level, hydraulic conductivity, and solute transport parameters was also comparatively studied. The results show that (a) there is a significant bidirectional exchange between groundwater in the saturated zone and soil water in the vadose zone during freeze-thaw periods, and its magnitude increases with the combined influence of higher hydraulic conductivity and higher capillarity; (b) the rapid dewatering ahead of the freezing front causes local volume shrinkage within the non-frozen region when the freezing front propagates downward during the freezing stage and this volume shrinkage reduces the impact of frost heave due to ice formation. This gradually recovers when the thawed water replenishes the water loss zone during the thawing stage; and (c) the profiles of soil moisture, temperature, displacement, and solute concentration during freeze-thaw cycles are sensitive to the changes in amplitude and freeze-thaw period of the sinusoidal varying air temperature near the ground surface, hydraulic conductivity of soil texture, and the initial groundwater levels. Our modeling framework and simulation results highlight the need to account for coupled thermal-hydraulic-mechanical-chemical behaviors to better understand soil water and groundwater dynamics during freeze-thaw cycles and further help explain the observed changes in water cycles and landscape evolution in cold regions.

54 ENVIRONMENTAL SCIENCES↗

First observations of edge instabilities in strongly shaped negative triangularity plasmas on DIII-D

Throughout the 2023 DIII-D negative triangularity (NT) campaign, unexpected magnetic fluctuations indicative of an edge localized instability were observed in the majority of strongly shaped (–0.55 ≤ δ ≤ –0.45) discharges. Moreover, these same fluctuations were found to be absent in weaker NT plasma shapes. Based on a database study, three separate mode behaviors are observed based primarily on the edge safety factor and normalized plasma beta β N . The main regime is the bursty state, in which short (~5 ms) magnetic bursts occur every 5–10 ms. Each burst drives a small reduction in the edge electron temperature (T e ) as measured by electron cyclotron emissions (ECE), which then rapidly recovers between the bursts. The quiescent regime appears to have governing mechanics similar to the bursty regime, but with multiple unique mode signatures observed in the magnetics. These additional modes greatly reduce the bursty nature of the plasma. Finally, a saturated state is observed in a number of discharges, particularly at early time slices. The saturated regime is often short-lived (maximum 500 ms), but can have a large impact on the dynamics of the plasma edge region, causing significant drops in electron temperature as observed in the ECE diagnostic. 2D ECE imaging (ECE-I) is utilized, showing large kink-like perturbations localized near the last closed flux surface that extend into the SOL indicative of an external kink/peeling behavior. Additionally, evidence of phase mixing and observed tearing-parity perturbations localized near the edge rational surfaces is observed in the quiescent regime plasmas. As a result, the various modes do not appear to have a large impact on global confinement but may play a role in regulating the transport of the NT edge and the observed edge gradients.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Inter-ELM pedestal turbulence dynamics dependence on q 95 and temperature gradient

A series of dedicated experiments from DIII-D tokamak provide spatially and temporally resolved measurements of electron density and temperature, and multiscale and multichannel fluctuations over a wide range of conditions. Measurements of long wavelength density fluctuations in the type-I ELMing H-mode pedestal routinely revealed a coexistence of multiple instabilities that exhibit dramatic different dynamic behaviors as q 95 and temperature gradient are varied, apparently responsible for limiting pedestal temperature profiles. Two distinct frequency bands of density fluctuations are modulated with ELM cycle with frequency above 200kHz propagating in the electron diamagnetic direction in the lab frame (electron mode) and below 200kHz propagating in the ion diamagnetic direction (ion mode). The electron mode amplitude peaks near the electron temperature gradient region and increases with q 95 which seems to be correlated with the increased χ e at higher q 95 , similar to the characteristics expected for Micro-tearing Mode (MTM). At higher q 95 , during the inter-ELM period, the ion mode decays at later phase of the ELM cycle. Consistently, the poloidal correlation length of the ion mode is also found to reduce which suggests the possible E×B flow shear suppression of ion mode at later phase of the ELM cycle as the Er well recovers. In contrast, the electron mode grows during the ELM cycle and reaches saturation at around 50-60% of ELM period. Linear gyrokinetic simulations find the MTMs as the most unstable mode in the pedestal electron temperature gradient region. The higher q 95 and lower magnetic shear destabilize MTMs. These observations provide key insights of the underlying physics of multifield properties and rich dataset of experimental 'fingerprints' that enable new tests of the theoretical pedestal models and lead to developing a predictive model for pedestal formation on ITER and future burning plasma experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Performance evaluation of a wrapped around condenser for heat pump water heater applications

In this report, accurate performance evaluation of a wrapped-around condenser for heat pump water heaters (WHPWH) is critical since the COP of the system depends heavily on thermal stratification and condenser design. An analytical, quasi-steady state heat balance method has been developed to determine the optimal spacing between adjacent channels, tube diameter, tube shape, and total refrigerant charge amount for the condenser. The heat transfer rate is compared among three approaches: the refrigerant thermodynamic model, the condenser-wrap fin model, and the analytical natural convection model on the inside of the tank for the three regions based on the refrigerant phase (e.g., super-heated, saturated, or subcooled). The heat transfer rate was predicted by a combination of slug-plug and annular flow for a D-shaped helical tube. Experimental data were used as boundary conditions for validating the model. The rate of heat transfer based on tube shape and tank wall temperatures was compared by CFD analysis. Parametric analysis indicates a tradeoff between refrigerant mass, pressure drop, tube diameter, and tube length to maximize the heat transfer rate. The model suggests the saturated region length can be extended by 400%, and the condenser pressure drop can be reduced by 23% with an optimal spacing pattern.

42 ENGINEERING↗

Reaction Layer Formation on MgO in the Presence of Humidity

Mineralization by MgO is an attractive potential strategy for direct air capture (DAC) of CO 2 due to its tendency to form carbonate phases upon exposure to water and CO 2 . Hydration of MgO during this process is typically assumed to not be rate limiting, even at ambient temperatures. However, surface passivation by hydrated phases likely reduces the CO 2 capture capacity. Here, we examine the initial hydration reactions that occur on MgO(100) surfaces to determine whether they could potentially impact CO 2 uptake. We first used atomic force microscopy (AFM) to explore changes in reaction layers in water (pH = 6 and 12) and MgO-saturated solution (pH = 11) and found the reaction layers on MgO are heterogeneous and nonuniform. To determine how relative humidity (R.H.) affects reactivity, we reacted samples at room temperature in nominally dry N 2 (~11–12% R.H.) for up to 12 h, in humid (>95% R.H.) N 2 for 5, 10, and 15 min, and in air at 33 and 75% R.H. for 8 days. X-ray reflectivity and electron microscopy analysis of the samples reveal that hydrated phases form rapidly upon exposure to humid air, but the growth of the hydrated reaction layer slows after its initial formation. Reaction layer thickness is strongly correlated with R.H., with denser reaction layers forming in 75% R.H. compared with 33% R.H. or nominally dry N 2 . The reaction layers are likely amorphous or poorly crystalline based on grazing incidence X-ray diffraction measurements. After exposure to 75% R.H. in air for 8 days, the reaction layer increases in density as compared to the sample reacted in humid N 2 for 5–15 min. Further, this may represent an initial step toward the crystallization of the reaction layer. Overall, high R.H. favors the formation of a hydrated, disordered layer on MgO. Based on our results, DAC in a location with a higher R.H. will be favorable, but growth may slow significantly from initial rates even on short timescales, presumably due to surface passivation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Film condensation with high heat fluxes and scaled experiments using pure steam for reactor containment cooling

Condensation tests were performed using a newly developed test facility for scaling the passive containment cooling system (PCCS) to a small modular reactor (SMR). The PCCS of the SMR plays a pivotal role in ensuring greater safety, reliability, and compactness than what is afforded by traditional reactors. Therefore, a well-designed PCCS is essential to SMRs. However, previous studies and test data were unsuitable for scaling, due to high variation in the test geometry and operating conditions. This study intends to close this research gap by using a novel designed scaled test facility consisting of vertical condensing test sections featuring 1-, 2-, and 4-inch-diameter condensing tubes with annular water cooling, and by applying superheated and saturated steam with different steam mass flow ranges of 5–25 g/s. Further, the primary test data, including axial temperatures, mass flow rates, and pressures, were used in conjunction with a standard data reduction method to estimate critical parameters such as heat fluxes, heat transfer coefficients, and condensation rates. These scaled test data would support improving empirical correlations and validating condensation models to identify scaling distortion for SMR PCCSs.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Microbial polyphenol metabolism is part of the thawing permafrost carbon cycle

Abstract With rising global temperatures, permafrost carbon stores are vulnerable to microbial degradation. The enzyme latch theory states that polyphenols should accumulate in saturated peatlands due to diminished phenol oxidase activity, inhibiting resident microbes and promoting carbon stabilization. Pairing microbiome and geochemical measurements along a permafrost thaw-induced saturation gradient in Stordalen Mire, a model Arctic peatland, we confirmed a negative relationship between phenol oxidase expression and saturation but failed to support other trends predicted by the enzyme latch. To inventory alternative polyphenol removal strategies, we built CAMPER, a gene annotation tool leveraging polyphenol enzyme knowledge gleaned across microbial ecosystems. Applying CAMPER to genome-resolved metatranscriptomes, we identified genes for diverse polyphenol-active enzymes expressed by various microbial lineages under a range of redox conditions. This shifts the paradigm that polyphenols stabilize carbon in saturated soils and highlights the need to consider both oxic and anoxic polyphenol metabolisms to understand carbon cycling in changing ecosystems.

54 ENVIRONMENTAL SCIENCES↗