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At least 19 records

Mineral Deposition on the Rough Walls of a Fracture

Modeling carbonate growth in fractures and pores is important for understanding carbon sequestration in the environment or when supersaturated solutions are injected into rocks. Here, we study the simple but nontrivial problem of calcite growth on fractures with rough walls of the same mineral using kinetic Monte Carlo simulations of attachment and detachment of molecules and scaling approaches. First, we consider wedge-shaped fracture walls whose upper terraces are in the same low-energy planes and show that the valleys are slowly filled by the propagation of parallel monolayer steps in the wedge sides. The growth ceases when the walls reach these low-energy configurations so that a gap between the walls may not be filled. Second, we consider fracture walls with equally separated monolayer steps (vicinal surfaces with roughness below 1 nm) and show that growth by step propagation will eventually clog the fracture gap. In both cases, scaling approaches predict the times to attain the final configurations as a function of the initial geometry and the step-propagation velocity, which is set by the saturation index. The same reasoning applied to a random wall geometry shows that step propagation leads to lateral filling of surface valleys until the wall reaches the low-energy crystalline plane that has the smallest initial density of molecules. Thus, the final configurations of the fracture walls are much more sensitive to the crystallography than to the roughness or the local curvature. The framework developed here may be used to determine those configurations, the times to reach them, and the mass of deposited mineral. Effects of transport limitations are discussed when the fracture gap is significantly narrowed.

calcite

Overcoming the challenges of accessing topological hallmarks in Sb(112)

Sb is topologically non-trivial and semi-metallic, but differs from many topological semi-metals because of its continuous band gap. By measuring its (112) surface using angle- and spin-resolved photoemission spectroscopy, Sb(112) was shown to have 1D spin-polarised surface states resembling those on vicinal Bi surfaces and many topological insulators and topological semi-metals. The shape and spin-polarisation of the measured features and the calculated bands agreed. However, the measured features had a slightly steeper energy dispersion and different Fermi-momenta than the calculated bands. Both theoretical and experimental methods were necessary when determining the topology of Sb(112). The presence of projected bulk states near the Fermi-level and varying surface localisation of the electronic states meant it was challenging to deduce the topology of Sb(112) from the number of bands crossing the Fermi-level or a continuous contour in the bulk band gap. Ultimately, the calculations and measurements suggest that there are topological surface states on the Sb(112) surface.

36 MATERIALS SCIENCE

Burton-Cabrera-Frank theory for the influence of off-cut direction on the growth of hcp crystals

The precise direction of the off-cut of a vicinal crystal surface determines the azimuth (in-plane angle) of the surface steps and thus their kink density. Here we develop a Burton-Cabrera-Frank (BCF) theory for step-flow crystal growth that includes the effects of step azimuth. We focus on the basal-plane surfaces of hexagonal close-packed (hcp) and related crystal structures, for which surface steps have alternating properties that depend on azimuth. We build on a previous treatment that considered only a single-step azimuth, 𝜙 = 0, that gives alternating steps of pure A and B type. As 𝜙 increases from zero, the density of kinks on the steps increases. For hcp-type crystals, in addition the structural difference between alternating steps decreases, until they become equivalent at 𝜙 = 30°. We consider the azimuth dependence of the step transparency, attachment, and repulsion parameters of the BCF model, including the effects of both geometrically required and thermally generated kinks. Example calculations are presented that demonstrate the overall effect of step azimuth on BCF predictions for step spacings during steady-state growth and for their dynamics during growth transients. Effects of symmetric and asymmetric step-step repulsion are discussed.

Ju, Guangxu

Diagnostics: Chapter 8 of the special issue: on the path to tokamak burning plasma operation

This chapter presents the activity conducted by the ITPA topical group (TG) on Diagnostics over about the last 15 years. Following a general introduction of the ITER Diagnostics led by their measurement roles, the document is organized in several subchapters detailing the design support, research and development activity conducted by each of the specialist working groups (WGs) of the TG. Please note that the magnetic diagnostics were supported at the TG without a specific WG. Their status is included in the general introduction. In the following some highlights of the subchapter’s contents are provided. Recent advances in ITER first wall (FW) diagnostics for the measurements of plasma-metallic wall interaction in support of the ITER research plan are reported. An InfraRed imaging Video Bolometer for ITER has been developed and tested on several tokamaks to measure the radiated power loss. A laser-induced breakdown spectroscopy (LIBS) technique which utilizes a pulsed laser beam to ablate locally by forming a crater, will measure local tritium inventory in the FW material. Real-time Residual Gas Analyzers will measure the neutral gas composition in a divertor port and an equatorial port during plasma operation. Due to the full metallic FW environment, the plasma-wall interaction in ITER will face several challenges such as the compromised radiated power and divertor heat flux measurements by reflection. Ray tracing and analysis codes have been developed to eliminate and correct the effects of reflection in the measurements. The characteristics of the reflecting surfaces depending on the roughness and angle of the incidence have been measured by dedicated experiments, and the results were applied to the reflection elimination. For the measurement of the metallic impurity radiation induced by eroded metallic atoms, a vacuum ultraviolet spectrometer has been developed and tested. An extensive thermonuclear diagnostic suite will be required to support the operation of ITER and the planned experimental program for future burning plasma experiments. Due to the harsh environmental conditions, the implementation of diagnostic systems in ITER is a major challenge. These conditions include high levels of neutron and gamma fluxes, neutron heating, particle bombardment. Therefore, the selection and design of diagnostic systems must take into account a number of phenomena previously unseen in diagnostic design. For this reason, the measurement of neutrons and confined or lost fast ions, with particular emphasis on alpha particles, is critical to ITER. The diagnostics associated with these measurements will be important for future plasma-burning experiments at ITER. The high neutron emission and very large plasma size in ITER make neutron diagnostics the main diagnostic method used to measure plasma parameters such as fusion power, fusion power density, ion temperature, energy of fast ions and their spatial distributions in the plasma core. Active spectroscopy techniques are methods where a neutral particle beam is injected into the plasma and information on plasma parameters is extracted from the measurement of line emission resulting from the beam-plasma interaction, either by plasma ions or by beam atoms. Spatial localization is achieved by crossing the beamline and multiple observation lines. The ITER plasma will be a high temperature, moderately dense, fully ionized collisional plasma. The plasma facing surfaces are principally metallic being fashioned from beryllium or tungsten but many other elements, arising from either structural or from operational needs, may enter this plasma. The energy range of the emitted photons range from meV (infra-red) to multi keV (x-rays) and originate from all areas of the plasma volume. The primary role of passive emission diagnostics is to identify what is in the plasma from spectral signatures. Extracting quantitative information from these measurements such as impurity content, ion temperature, rotation, degree of detachment and radiated power depends on calibrated instruments, a physics model of the atomic and molecular processes and plasma transport and an analysis workflow that takes into account environmental effects such as reflections. The particular needs for ITER have prompted a multi-machine, many-year effort to address all these aspects and this chapter reviews the work on diagnostic design, experiments and new analysis techniques. An overview of the laser diagnostics to be implemented on ITER is also provided in this paper. This includes descriptions of the Thomson scattering in the core, edge and divertor regions, polarimetry and interferometry diagnostics used for measuring plasma density and also measurements of helium density in the divertor using Laser Induced Flourescence. Techniques which can allow improvements on current measurements are also addressed in particular expanding poloidal polarimetry measurements to measure field fluctuations and proposed use of dispersion interferometery which has a number of advantages over existing methods. This paper identifies particular areas where further research and testing on existing tokamaks is useful even at this advanced stage to inform the design of diagnostics for ITER. Outstanding areas of concern for the implementation of laser diagnostics, in particular with a view to reliable operation are identified. An overview of the latest developments of microwave diagnostic systems and techniques is given. The primary focus is the contributions for ITER—the next step burning plasma experiment—which is supplemented by describing recent progress of techniques applicable for fusion experiments beyond ITER. The contributions are intentionally kept concise, and are being supplemented by a rich list of references for further studies. Radiation induced effects are receiving continuous and well-deserved attention of the ITER diagnostic community and they are in many cases one of the primary design drivers of the ITER diagnostic systems. The paper summarizes recent progress in this area focusing primarily on the ITER diagnostics but in some cases provides also outlook for the possible solutions for even more demanding radiation environment of fusion reactors beyond ITER. Despite advancements in the area of modeling and simulation of various radiation induced effects, experimental testing in a nuclear environment as close as possible to the target one is still seen as unavoidable for proper qualification of particular diagnostic functional elements. Recent advancement within three diagnostic areas: optical diagnostics, magnetics and bolometers is covered. Encouraging results on qualification of silica glass vacuum window assemblies are presented. In the area of magnetic sensors, progress of irradiation tests performed on ITER in-vessel LTCC inductive sensors is presented with outlook for novel technological approaches to inductive sensors utilizing thick printing and photolithography technologies being highlighted. Summary of advancements in the area of steady state magnetic field sensors based on Hall effect is given. New results of neutron irradiation test of the ITER borosilicate glass inserts for vacuum electrical feedthroughs are summarized finding negligible swelling at target level of neutron fluence. Off-line irradiation tests of fiber optic current sensors for plasma current measurement demonstrated that both for gamma doses up to 5 MGy and a total neutron fluence up to 10 15 cm −2 , radiation induced changes are still compatible with required measurement accuracy on ITER. The ITER bolometers are given as an example how considering radiation effects may influence the diagnostic design. Finally, outlook for future main R&D directions is outlined. All optical and laser-based diagnostics in ITER will be using mirrors to guide plasma radiation toward detectors, cameras and sensors. In the hostile plasma, radiation and particle environment the optical characteristics of diagnostic mirrors will degrade directly affecting the entire performance of involved diagnostic systems. An assessment of factors affecting mirror performance is provided. Among the prime adverse factors are deposition of plasma impurities, sputtering of mirror surface and steam ingress in the vicinity of mirrors. Within the International Tokamak Physics Activity with active support by ITER central team and domestic agencies, the structured research and development (R&D) program on mitigation of risks for diagnostic mirrors is underway. Within this program the mirror material development, the passive mitigation of mirror degradation by using diagnostic ducts and shutters along with an active mirror recovery program comprising the in-situ mirror cleaning and calibration is underway. Recent developments in diagnostic mirror R&D are described in this Chapter along with an example of their implementation of R&D solutions in ITER Infrared Thermography diagnostic. An assessment of still open engineering and physics questions, considerations on mirror risks during an early phase of ITER operation are given along with an overview of diagnostic mirror evolution in the late ITER operation stage toward the demonstration fusion power plant. Several crucial areas of diagnostic R&D outlined in ITER Research Plan are addressed. The basic control groups in a fusion reactor can be broken-down in five categories: (1) plasma position, magnetic configuration, and plasma current control, (2) profile control and confinement optimization, (3) MHD control and suppression, (4) edge dissipation control, radiation and plasma exhaust control and (5) break-down optimization. These categories are coupled via the physics (a control action in one domain will affect the other domains) and via shared actuators (e.g. ECRH for impurity accumulation avoidance, current density distribution control and MHD suppression). Consequently, a supervisory control system should determine the priority of the various control tasks, their couplings, and the interfaces with the safety and interlock system. For the systematic development of the various controllers taking the complexity of the plasma and the control system into account, a model-based approach is required. A short historical overview is given of the developments in systems and control theory and control engineering with special emphasis on those developments that are most relevant for Nuclear Fusion research and operation. An overview is given of the state of the field of fusion plasma control for the control categories. It will be shown how synthetic diagnostics are being developed in ITER and how they are used in diagnostic design and design validation and how they can be in model-based controller synthesis using relatively simple models. In modern control methods, multiple diagnostics are used to constrain relatively simple models. The constrained models provide an estimate for the state. This opens the route to state controllers, such as model predictive control. A major challenge in nuclear fusion research is the coherent combination of data from heterogeneous diagnostics and modeling codes for machine control and safety as well as physics studies. Measured data from different diagnostics often provide information about the same subset of physical parameters. Additionally, information provided by some diagnostics might be needed for the analysis of other diagnostics. A joint analysis of complementary and redundant data allows, e.g. to improve the reliability of parameter estimation, to increase the spatial and temporal resolution of profiles, to obtain synergistic effects, to consider diagnostics interdependencies and to find and resolve data inconsistencies. Physics-based modeling and parameter relationships provide additional information improving the treatment of ill-posed inversion problems. A coherent combination of all kind of available information within a probabilistic framework allows for improved data analysis results. The concept of integrated data analysis (IDA) in the framework of Bayesian probability theory is outlined and contrasted with conventional data analysis. Components of the probabilistic approach are summarized and specific ingredients beneficial for data analysis at fusion devices are discussed.

ITER

Localized exciton emission from monolayer WS 2 nanoribbon at cryogenic temperature

Abstract We conducted low-temperature photoluminescence (PL) spectroscopy experiments on individual WS 2 and MoSe 2 nanoribbons prepared by gold-assisted exfoliation from the slanted surface of bulk crystals with a vicinal and stepwise pattern. The nanoribbons are predominantly monolayer and have widths varying from hundreds of nanometers down to tens of nanometers. Most MoSe 2 NRs display an emission profile similar to 2D excitons of MoSe 2 monolayers. In contrast, WS 2 nanoribbons are characterized with sharp emission peaks that can be attributed to the emission from localized excitons or trions. Moreover a broad low energy emission peak can be also observed from some of the WS 2 nanoribbons, which originates from bilayer regions. In this manuscript, we analyze spectral diffusion behavior along with pump power and temperature dependence of the localized exciton emission peaks, shedding light on potential of TMDC nanoribbons in sensing and opto-electronic applications.

36 MATERIALS SCIENCE

Mechanistic insights into rubidium ion adsorption at the quartz (101) surface from quantum chemical metadynamics

Ion sorption extent and mechanism depend in part on the mineral surface termination, which can be highly complex. Variations in surface functional groups, particularly with defect density and surface roughness, influence mineral reactivity towards solutes. In this work, we investigate the adsorption of a rubidium cation (Rb + ) at pristine and defect quartz (101) surface sites using well-tempered metadynamics, based on simulations with the quantum chemical density-functional tight-binding (DFTB) method. We compare the relative energetics of Rb + adsorption across selected sites for each surface, with nanosecond-level sampling, highlighting similarities between vicinal and geminal silanol sites. We find that the positive Rb + partial atomic charge can increase by as much as 0.5e as it approaches the surface, with implications for modulation of ion adsorption strength and extent at the quartz (101) surface with surface vacancies, silanol coverage, and charge.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Observations of surface energy fluxes and meteorology in the seasonally snow-covered high-elevation East River watershed during SPLASH, 2021–2023

Abstract. From autumn 2021 through summer 2023, scientists from the National Oceanic and Atmospheric Administration (NOAA) and partners conducted the Study of Precipitation, the Lower Atmosphere, and Surface for Hydrometeorology (SPLASH) campaign in the East River watershed of Colorado. One objective of SPLASH was to observe the transfer of energy between the atmosphere and the surface, which was done at several locations. Two remote sites were chosen that did not have access to power utilities. These were along the valley floor near the East River in the vicinity of the unincorporated town of Gothic, Colorado. Energy balance measurements were made at these locations using autonomous, single-level flux towers referred to as atmospheric surface flux stations (ASFSs). The ASFSs were deployed on 28 September 2021 at the Kettle Ponds Annex site and on 12 October 2021 at the Avery Picnic site and operated until 19 July and 21 June 2023, respectively. Measurements included basic meteorology; upward and downward longwave and shortwave radiative fluxes and subsurface conductive flux, each at 1 min resolution; 3-D winds from a sonic anemometer and H2O/CO2 from an open-path gas analyzer, both at 20 Hz from which sensible, latent heat, and CO2 fluxes were derived; and profiles of soil properties in the upper 0.5 m (both sites) and temperature profiles through the snow (at Avery Picnic), each reported between 10 min and 6 h. The system uptime was 97 % (Kettle Ponds) and 90 % (Avery Picnic), and collectively 1184 d of data was obtained between the stations. The purpose of this article is to document the ASFS deployment at SPLASH, to document the data acquisition and post-processing of measurements, and to serve as a guide for interested users of the data sets, which are archived at Zenodo (https://doi.org/10.5281/zenodo.10313363, Cox et al., 2023b; https://doi.org/10.5281/zenodo.10327409, Cox et al., 2023c; https://doi.org/10.5281/zenodo.10313894, Cox et al., 2023d; https://doi.org/10.5281/zenodo.10307825, Cox et al., 2023e; https://doi.org/10.5281/zenodo.10310520, Cox et al., 2023f) with the Creative Commons Attribution 4.0 International license.

Cox, Christopher J. (ORCID:0000000322037173)

X-point effects on the ideal MHD modes in tokamaks in the description of dual-poloidal-region safety factor

The flux coordinates with dual-region safety factor (q) in the poloidal direction are developed in this work. The X-point effects on the ideal MHD modes in tokamaks are then analyzed using this coordinate system. Since the X-point effects mainly affect the edge region, the modes localized at the tokamak edge are particularly examined. Two types of modes are studied. The first is related to the conventional peeling or peeling-ballooning modes. The mode existence aligned with the local magnetic field in the poloidally core region as observed experimentally is confirmed. The X points are shown to contribute to a stabilizing effect for the conventionally treated modes with the surface-averaged q and with the tokamak edge portion truncated. The other is the axisymmetric modes localized in the vicinity of X points, which can affect the cross-field-line transport near the X points. The existence of axisymmetric modes points to the possibility of applying a toroidally axisymmetric resonant magnetic perturbation (RMP) in the X-point area for mitigating the edge localized modes, which can be an alternative to the current RMP design. The dual q description also has important implications for the existing non-axisymmetric RMP concept. It helps to understand why the RMP suppression of edge localized modes is difficult to achieve in the double-null tokamak configurations and points to the possibility of further improving the current RMP concept by considering the alignment to the local q.

Fourier analysis

Franck-Condon electron emission from polar semiconductor photocathodes

An analytical formulation of (optical-)phonon-mediated and momentum-resonant Franck-Condon emission of photoexcited electrons from polar semiconductors is shown to be very consistent with (i) the observed emission properties of a cesiated Ga⁢As⁢(001) photocathode at 808 nm [J. Phys. D: Appl. Phys. 54, 205301 (2021)] and (ii) the measured spectral emission properties of a Ga⁢N(0001) photocathode from just below its bandgap energy to 5 eV. The theoretical analysis in the parabolic band approximation predicts the form of both the quantum efficiency and mean transverse energy of photoemission as a function of the photocathode’s electron affinity and the electron temperature in the vicinity of its emission face. The good agreement between theory and experimental data also suggests that sub-10-nm rms surface roughness effects are not significant for polar semiconductor photocathodes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC

Fermi surface and Berry phase analysis for Dirac nodal line semimetals: Cautionary tale from SrGa 2 and BaGa 2

A Berry phase of odd multiples of 𝜋 inferred from quantum oscillations (QOs) has often been treated as evidence for nontrivial reciprocal space topology. However, disentangling the Berry phase values from the Zeeman effect and the orbital magnetic moment is often challenging. In centrosymmetric compounds, the case is simpler as the orbital magnetic moment contribution is negligible. Although the Zeeman effect can be significant, it is usually overlooked in most studies of QOs in centrosymmetric compounds. Here, we present a detailed study on the nonmagnetic centrosymmetric SrGa 2 and BaGa 2 , which are predicted to be Dirac nodal line semimetals based on density functional theory (DFT) calculations. Evidence of the nontrivial topology is found in magnetotransport measurements. The Fermi surface topology and band structure are carefully studied through a combination of angle-dependent QOs, angle-resolved photoemission spectroscopy (ARPES), and DFT calculations, where the nodal line is observed in the vicinity of the Fermi level. Strong de Haas–van Alphen fundamental oscillations associated with higher harmonics are observed in both compounds, which are well fitted by the Lifshitz-Kosevich (LK) formula. However, even with the inclusion of higher harmonics in the fitting, we found that the Berry phases cannot be unambiguously determined when the Zeeman effect is included. We revisit the LK formula and analyze the phenomena and outcomes that were associated with the Zeeman effect in previous studies. Our experimental results confirm that SrGa 2 and BaGa 2 are Dirac nodal line semimetals. Additionally, we highlight the often overlooked role of spin-damping terms in Berry phase analysis.

36 MATERIALS SCIENCE

Drought-induced changes in groundwater-surface water exchange at Lake Mead area

This study focuses on the Lake Mead region in the southwestern United States, a key water reservoir serving over 25 million people and agricultural lands across several states. The area has experienced recurring anthropogenic droughts since the early 2000s. We investigate the hydrological response of the coupled surface-groundwater system to the 2020–2022 drought, one of the most severe on record. To this end, we use Sentinel-1 Interferometric Synthetic Aperture Radar (InSAR) data to quantify vertical land motion caused by the elastic response of the crust to water-mass loss in the lake vicinity. Next, we apply an inverse elastic load modeling framework to quantify water loss. We further assess possible hydraulic connectivity between Lake Mead and adjacent groundwater reservoirs. We detect ground uplift of up to 8 mm/yr near the lake center, likely due to crustal rebound from reduced water-mass loading. We estimated the total water storage loss at 3.03 ± 0.25 km 3 /yr across a 3150 km 2 area surrounding Lake Mead. Groundwater accounts for approximately a third of that, being 0.94 ± 0.32 km 3 /yr. In addition, observed time lags of 6–98 days between lake and groundwater level responses, corresponding to a lateral diffusivity of 3.2–86 m 2 /s, suggest spatially variable connectivity between the lake and aquifers. These findings highlight that drought impacts propagate through the subsurface within interconnected systems, resulting in reduced buffering capacity of groundwater resources following droughts, and emphasizing the need for more integrated surface and groundwater management strategies to enhance resilience under climate and anthropogenic stressors.

58 GEOSCIENCES

Thermodynamic Evidence of Fermionic Behavior in the Vicinity of One-Ninth Plateau in a Kagome Antiferromagnet

The spin-1/2 kagome Heisenberg antiferromagnets are believed to host exotic quantum entangled states. Recently, the reports of 1/9 magnetization plateau and magnetic oscillations in a kagome antiferromagnet YCu 3 ⁢(OH) 6 ⁢Br 2 ⁢[Br 𝑥 ⁢(OH) 1−𝑥 ] (YCOB) have made this material a promising candidate for experimentally realizing quantum spin liquid states. Here, we present measurements of the specific heat 𝐶 𝑝 in YCOB in high magnetic fields (up to 41.5 T) down to 0.46 K, and the 1/9 plateau feature has been confirmed. Moreover, the temperature dependence of 𝐶 𝑝 /𝑇 in the vicinity of 1/9 plateau region can be fitted by a linear in 𝑇 term which indicates the presence of a Dirac spectrum, together with a constant term, which indicates a finite density of states contributed by other spinon Fermi surfaces. Surprisingly, the constant term is highly anisotropic in the direction of the magnetic field. Additionally, we observe a double-peak feature near 30 T above the 1/9 plateau which is another hallmark of fermionic excitations in the specific heat. This combination of gapless behavior and the double-peak structure strongly suggests that the 1/9 plateau in YCOB is nontrivial and hosts fermionic quasiparticles.

36 MATERIALS SCIENCE

Predicting interface structure using the minima hopping method

Here, we adapt the minima hopping method (MHM) to the problem of interfacial structure prediction and apply it to study a canonical problem, the tilt grain boundaries in SrTiO 3 . Our method employs a hybrid approach by first exploring the potential energy surface (PES) of different grain boundary samplings with an empirical force field, among which the fifteen candidates with lower energies are then refined using ab initio density functional theory (DFT) calculations. During the exploratory stage, we bias the search using a local order parameter to primarily sample various reconstructions in the vicinity of the interface, while preserving the crystallinity of the bulk regions. We further enhance the search by incorporating initial structures with rigid body displacements to account for translational variations between bulk phases, enabling the MHM to effectively generate both stoichiometric and nonstoichiometric SrTiO 3 Σ⁢3(111)[110] and Σ⁢3(112)[110] grain boundaries. From an algorithmic standpoint, MHM outperforms earlier studies based on genetic algorithms (GA) by identifying more stable interfacial structures of several SrTiO 3 grain boundaries. The performance of the present implementation of the MHM approach is primarily limited by exploring an approximate description of the PES with a rather simple Buckingham potential. This limitation leads to variations in performance when compared to approaches utilizing more advanced surrogate PES models, such as direct DFT-PES sampling or GA with the embedded atom method (EAM). Despite the present limitations, the MHM approach is able to yield interfacial structures with comparable or lower interfacial energies in specific cases, such as Σ⁢3(111)[110] Γ=1, ±0.5 and Σ⁢3(112)[110] Γ= ±1, −2, underscoring the robustness of the MHM approach even with a simple approximation of the DFT PES. The MHM interfacial structure prediction method thus offers an efficient approach to understanding the grain boundaries and heterointerfaces at the atomic scale, providing an important prerequisite for effective materials design.

density functional theory

Hourly gap-filled meteorological data from PIE LTER measurements (2004-2023) used as drivers to run ELM PFLOTRAN simulations

This dataset contains continuous gap-filled precipitation, solar radiation, photosynthetically active radiation (PAR), air temperature, relative humidity, wind speed, and barometric pressure data recorded primarily at the Marshview Farm weather station within the Plum Island Long Term Ecosystems Research (PIE LTER) in Newbury Massachusetts (MA) from 2004 to 2023. We compiled the data set from published annual data packages in 15min resolution available on DataOne. Gaps were filled using different statistical techniques or available observations from the vicinity, e.g. the US-PLo and the US-PHM Ameriflux sites, also located within the PIE LTER. Flags are included in this dataset to indicate the origin of each data point. Metadata files ELMPFLOTRAN_met_dd.csv and ELMPFLOTRAN_met_flmd.csv contain more information on site locations, gap filling protocols, data variables, flags, and QA/QC methods. The data set was used in the spin up and simulations of a land surface model coupled to a biogeochemical reaction network (ELM PFLOTRAN) assessing impacts of hydrology and salinity input on methane fluxes in 2022 and 2023 (Sulman et al., 2024).

54 ENVIRONMENTAL SCIENCES

Spatially Accelerated Winding Numbers for Curved Geometry

The generalized winding number (GWN) is a scalar field that supports robust containment queries on curved geometry, including non-watertight, overlapping, and nested boundary representations. While queries can be easily parallelized over samples, direct evaluation on parametric curves and surfaces remains costly for large and complex models. Fast, state-of-the-art GWN approaches leverage a spatial index to approximate the GWN, typically coupled with a Taylor expansion which approximates the GWN contribution for far clusters of geometric primitives. However, such methods operate only on discrete inputs such as triangle meshes and point clouds, and would introduce containment errors near boundaries if applied to curved input. We extend support for fast GWN evaluation over arbitrary collections of NURBS curves in 2D and trimmed NURBS patches in 3D via a Bounding Volume Hierarchy that stores efficiently precomputed moment data in the hierarchy nodes. When querying the hierarchy, approximations for far clusters are used alongside direct evaluation for nearby NURBS primitives, achieving sub-linear complexity while preserving the geometric features in the vicinity of the query point. Central to our performance improvements is an adaptive subdivision strategy for NURBS primitives during a preprocessing phase, creating better spatial partitions while retaining the same accuracy for containment decisions as a direct evaluation. We demonstrate the performance and accuracy of our approach across a large collection of 2D and 3D datasets.

Computer science

Corrective Action Decision Document/Corrective Action Plan for Corrective Action Units 101 and 102: Central and Western Pahute Mesa Nevada National Security Site, Nevada, Revision 2

This revision was prepared to document changes to the data-collection activities. Specifically, the drilling and completion of the wells have been revised, and enhancements to the surface geophysics measurements have been included. Corrective action is needed because underground radioactive contamination exists in these areas resulting from historic underground nuclear testing. The PM CAUs are located in the northwestern portion of the Nevada National Security Site and comprise 82 corrective action sites. A total of 85 underground nuclear detonations took place within the area covered by the PM CAUs between 1965 and 1992 and resulted in the release of radionuclides in the subsurface in the vicinity of the test cavities.

54 ENVIRONMENTAL SCIENCES

Transient plasma-detachment events induced by multiple gas puffs in ADITYA-U tokamak

Application of periodic short bursts of gas leads to periodic separation of the plasma column edge from the limiter in the Ohmically heated discharges of ADITYA-U tokamak. After every gas-puff, injecting around 10 17 –10 18 m −3 molecules of fuel gas in the edge of the plasma column, a significant reduction in plasma density, temperature, H α emission intensity and an increase in the H β /H α ratio is observed in the vicinity of the limiter radius for a certain time duration before these parameters regain their pre-gas puff values. A decline in the ion-flux to the limiter is also observed simultaneously. The global confinement of plasma also increases after each gas-puff. These observations, which repeat after each gas-injection, imply that the plasma–neutral interaction occurs further away from the limiters after the gas-injection and indicate a periodic plasma separation from the limiter surface. Further investigation revealed that the gas-injection modifies the radial and toroidal electric field, which may be playing a role in the separation of the plasma column from the limiter surface. It was further demonstrated by an electrode bias experiment in the absence of gas-injection that an application of an external radial electric field can result in obtaining a separated plasma state.

Physics - Plasma physics