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At least 523 records · Page 29

In-flight performance of the XRISM/Resolve detector system

The Resolve instrument was launched on board the XRISM observatory in early September 2023. The Resolve spectrometer is based on a high-sensitivity X-ray calorimeter detector system (DS) that has been successfully deployed in many ground and sub-orbital spectrometers. However, the Resolve instrument is the first long-term implementation in space. The instrument will provide essential diagnostics for nearly every class of X-ray emitting objects, from galactic supernova remnants to the outskirts of galaxy clusters, without degradation for spatially extended objects. The Resolve DS consists of a 36-pixel microcalorimeter array operated at a heat sink temperature of 50 mK. In pre-flight testing, the DS demonstrated a resolving power of better than 1300 at 6 keV with a simultaneous bandpass from below 0.3 keV to above 12 keV and a timing precision better than 100μs. An anti-coincidence detector placed directly behind the microcalorimeter array effectively suppresses background. The detector energy-resolution budget included terms for interference from the Resolve cooling system and the spacecraft. Additional terms for energy-scale stability, on-orbit effects, and use of mid-grade events were also included, predicting an end-of-life, on-orbit performance for high- and mid-resolution grade events that meet the requirement of 7 eV FWHM at 6 keV. Here, we discuss the actual on-orbit performance of the Resolve DS and compare this with the performance in pre-flight testing, on-orbit predictions, and the almost identical Hitomi/SXS instrument. We will also discuss the on-orbit gain stability, an assessment of on-orbit interference, and measurements of the on-orbit background.

Astronomy and AstroPhysics↗

Structural, electronic, and magnetic properties of nearly ideal J eff = 1/2 iridium halides

Heavy transition metal magnets with J e f f = 1 2 electronic ground states have attracted recent interest due to their penchant for hosting new classes of quantum spin liquids and superconductors. Unfortunately, model systems with ideal J e f f = 1 2 states are scarce due to the importance of noncubic local distortions in most candidate materials. In this work, we identify a family of iridium halide systems [i.e., K 2 Ir Cl 6 , K 2 Ir Br 6 , ( NH 4 ) 2 Ir Cl 6 , and Na 2 Ir Cl 6 · 6 ( H 2 O ) ] with Ir 4 + electronic ground states exhibiting extremely small deviations from the ideal J e f f = 1 2 limit. We also find ordered magnetic ground states for the three anhydrous systems, with single-crystal neutron diffraction on K 2 Ir Br 6 revealing type-I antiferromagnetism. This spin configuration is consistent with expectations for significant Kitaev exchange in a face-centered-cubic magnet. This work establishes that incorporating isolated Ir X 6 octahedra in materials, where X is a halogen ion with a low electronegativity, is an effective design principle for realizing unprecedented proximity to the pure J e f f = 1 2 state. However, at the same time, we highlight undeniable deviations from this ideal state, even in clean materials with ideal Ir X 6 octahedra as inferred from the global cubic crystal structures.

36 MATERIALS SCIENCE↗

Real-Time Fault Tracking and Ground Motion Prediction for Large Earthquakes With HR-GNSS and Deep Learning

Earthquake early warning (EEW) systems aim to forecast the shaking intensity rapidly after an earthquake occurs and send warnings to affected areas before the onset of strong shaking. The system relies on rapid and accurate estimation of earthquake source parameters. However, it is known that source estimation for large ruptures in real-time is challenging, and it often leads to magnitude underestimation. In a previous study, we showed that machine learning, HR-GNSS, and realistic rupture synthetics can be used to reliably predict earthquake magnitude. This model, called Machine-Learning Assessed Rapid Geodetic Earthquake model (M-LARGE), can rapidly forecast large earthquake magnitudes with an accuracy of 99%. Here, we expand M-LARGE to predict centroid location and fault size, enabling the construction of the fault rupture extent for forecasting shaking intensity using existing ground motion models. We test our model in the Chilean Subduction Zone with thousands of simulated and five real large earthquakes. The result achieves an average warning time of 40.5 s for shaking intensity MMI4+, surpassing the 34 s obtained by a similar GNSS EEW model. Our approach addresses a critical gap in existing EEW systems for large earthquakes by demonstrating real-time fault tracking feasibility without saturation issues. This capability leads to timely and accurate ground motion forecasts and can support other methods, enhancing the overall effectiveness of EEW systems. Additionally, the ability to predict source parameters for real Chilean earthquakes implies that synthetic data, governed by our understanding of earthquake scaling, is consistent with the actual rupture processes.

58 GEOSCIENCES↗

Robust and ultrafast state preparation by ramping artificial gauge potentials

Abstract The implementation of static artificial magnetic fields in ultracold atomic systems has become a powerful tool, e.g. for simulating quantum-Hall physics with charge-neutral atoms. Taking an interacting bosonic flux ladder as a minimal model, we investigate protocols for adiabatic state preparation via magnetic flux ramps. Considering the fact that it is actually the artificial vector potential (in the form of Peierls phases) that can be experimentally engineered in optical lattices, rather than the magnetic field, we find that the time required for adiabatic state preparation dramatically depends on which pattern of Peierls phases is used. This can be understood intuitively by noting that different patterns of time-dependent Peierls phases that all give rise to the same magnetic field ramp, generally lead to different artificial electric fields during the ramp. As an intriguing result, we find that an optimal choice allows for preparing the ground state almost instantaneously in the non-interacting system, which can be related to the concept of counterdiabatic driving. Remarkably, we find extremely short preparation times also in the strongly-interacting regime. Our findings open new possibilities for robust state preparation in atomic quantum simulators.

Wang, Botao (ORCID:0000000282202452)↗

End-to-End Modeling of the TDM Readout System for CMB-S4

The CMB-S4 experiment is developing next-generation ground-based microwave telescopes to observe the cosmic microwave background with unprecedented sensitivity. This will require an order of magnitude increase in the 100-mK detector count, which, in turn, increases the demands on the readout system. The CMB-S4 readout will use time-division multiplexing (TDM), taking advantage of faster switches and amplifiers in order to achieve an increased multiplexing factor. To facilitate the design of the new readout system, we have developed a model that predicts the bandwidth and noise performance of this circuitry and its interconnections. This is then used to set requirements on individual components in order to meet the performance necessary for the full system. Here, we present an overview of this model and compare the model results to the performance of both legacy and prototype readout hardware.

47 OTHER INSTRUMENTATION↗

Electron Sextets as Optically Addressable Molecular Qubits: Triplet Carbenes

There is a growing demand in quantum information science and sensing for electron spin purification and readout via a spin-optical interface. This technique, known as optically detected magnetic resonance (ODMR), has been applied to diamond-NV centers and transition-metal complexes. Metal-free counterparts of these optically addressable spin qubits promise to be cheaper, more sustainable color centers with prolonged polarization lifetimes. However, progress has been hindered by the low ODMR signals of carbon-based π-diradicals, partly due to the lack of a ground singlet-to-triplet intersystem crossing (ISC). In this work, we propose exploring organic systems that are even more electron-deficient: electron sextets. Using triplet carbenes as an example, we illustrate how the ground singlet-triplet gap can be widened beyond thermal energy with the associated singlet-to-triplet ISC made available by vibronic effects. Through careful molecular engineering, this ISC can occur at a rate similar to and with an opposite spin selectivity from the excited-state ISC well-established in π-diradicals, unlocking a new ODMR pathway with potential signal gains. Persistent triplet carbenes are a renascent field, with multiple stable molecules being isolated in the past five years. To motivate further development of its emissive properties, we illustrate our design in three realistic carbene candidates that incorporate existing strategies for carbene stabilization. Furthermore, we believe that a new realm of quantum materials can be uncovered by expanding our scope toward stable electron sextets.

Carbene compounds↗

OpenET: Filling a Critical Data Gap in Water Management for the Western United States

The lack of consistent, accurate information on evapotranspiration (ET) and consumptive use of water by irrigated agriculture is one of the most important data gaps for water managers in the western United States (U.S.) and other arid agricultural regions globally. The ability to easily access information on ET is central to improving water budgets across the West, advancing the use of data-driven irrigation management strategies, and expanding incentive-driven conservation programs. Recent advances in remote sensing of ET have led to the development of multiple approaches for field-scale ET mapping that have been used for local and regional water resource management applications by U.S. state and federal agencies. The OpenET project is a community-driven effort that is building upon these advances to develop an operational system for generating and distributing ET data at a field scale using an ensemble of six well-established satellite-based approaches for mapping ET. Key objectives of OpenET include: Increasing access to remotely sensed ET data through a web-based data explorer and data services; supporting the use of ET data for a range of water resource management applications; and development of use cases and training resources for agricultural producers and water resource managers. Here we describe the OpenET framework, including the models used in the ensemble, the satellite, meteorological, and ancillary data inputs to the system, and the OpenET data visualization and access tools. We also summarize an extensive intercomparison and accuracy assessment conducted using ground measurements of ET from 139 flux tower sites instrumented with open path eddy covariance systems. Results calculated for 24 cropland sites from Phase I of the intercomparison and accuracy assessment demonstrate strong agreement between the satellite-driven ET models and the flux tower ET data. For the six models that have been evaluated to date (ALEXI/DisALEXI, eeMETRIC, geeSEBAL, PT-JPL, SIMS, and SSEBop) and the ensemble mean, the weighted average mean absolute error (MAE) values across all sites range from 13.6 to 21.6 mm/month at a monthly timestep, and 0.74 to 1.07 mm/day at a daily timestep. At seasonal time scales, for all but one of the models the weighted mean total ET is within ±8% of both the ensemble mean and the weighted mean total ET calculated from the flux tower data. Overall, the ensemble mean performs as well as any individual model across nearly all accuracy statistics for croplands, though some individual models may perform better for specific sites and regions. We conclude with three brief use cases to illustrate current applications and benefits of increased access to ET data, and discuss key lessons learned from the development of OpenET.

54 ENVIRONMENTAL SCIENCES↗

In-plane multi-q magnetic ground state of Na 3 Co 2 SbO 6

We report Na 3 Co 2 SbO 6 is a potential Kitaev magnet with a monoclinic layered crystal structure. Recent investigations of the C3-symmetric sister compound Na 2 Co 2 TeO 6 have uncovered a unique triple-q magnetic ground state, as opposed to a single-q (zigzag) one, prompting us to examine the influence of the reduced structural symmetry of Na 3 Co 2 SbO 6 on its ground state. Neutron diffraction data obtained on a twin-free crystal reveal that the ground state remains a multi-q state, despite the system's strong non-C 3 -symmetric anisotropy. This robustness of multi-q orders suggests that they are driven by a common mechanism in the honeycomb cobaltates, such as interactions beyond the bilinear order. Spin-polarized neutron diffraction results show that the ordered moments are entirely in plane, with each staggered component orthogonal to the propagating wave vector. The inferred ground state appears more compatible with the so-called XXZ easy-plane anisotropy than the Kitaev anisotropy, and features unequal ordered moments reduced by strong quantum fluctuations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Energy Technology Proving Ground Program Plan

New methods of energy production and distribution are required to meet clean energy goals and demands across all U.S. energy sectors. Idaho National Laboratory’s (INL) Integrated Energy Systems (IES) initiative is enabling clean energy research, development, and demonstration (RD&D) activities. To date, IES demonstration programs have been limited by distributed infrastructure and a lack of large-scale facilities to accommodate industry-scale research of Technical Readiness Level (TRL) 6-8 technologies. The IES initiative plans to eliminate these constraints by establishing a new research complex at INL known as the Energy Technology Proving Ground (Proving Ground) to be led by the Energy and Environment Science and Technology Directorate. The Energy and Environment Science and Technology (EES&T) directorate, one of five Idaho National Laboratory (INL) RD&D organizations, focuses on clean energy technologies that anchor the industry-enabling research of the Proving Ground. The Proving Ground will combine diverse clean energy systems into lean integrated test bed of independent multiscale capabilities available to the government and commercial industries to perform research; and will enable INL’s goal of becoming a Net-Zero entity by 2031. This program encompasses existing and new research space at both the in-town Research and Education Campus (REC) and the Arco desert site (the Site). The Proving Ground will support the maturation of IES technologies from TRL 1 through 8 by providing the infrastructure and capabilities needed to sustain a continuum of RD&D from basic science to industry-scale. To establish The Proving Ground and meet INL’s net-zero goals by 2031, nine research program areas have been identified within the IES initiative that require expanded and new capital infrastructure. This program plan provides guidance for establishing the Proving Ground at the Site for plug-and-play pilot testing and proofing of integrated energy system functionality including fission and renewable energy sources for industry driven application platforms.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Thermal coupled cluster theory for SU(2) systems

Coupled cluster (CC) has established itself as a powerful theory to study correlated quantum many-body systems. Finite-temperature generalizations of CC theory have attracted considerable interest and have been shown to work as nicely as the ground-state theory. However, most of these recent developments address only fermionic or bosonic systems. The distinct structure of the su(2) algebra requires the development of a similar thermal CC theory for spin degrees of freedom. In this paper, we provide a formulation of our thermofield-inspired thermal CC for SU(2) systems. Here, we apply the thermal CC to the Lipkin-Meshkov-Glick system as well as the one-dimensional transverse field Ising model as benchmark applications to highlight the accuracy of thermal CC in the study of finite-temperature phase diagrams in SU(2) systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization

In this work, we present DFT-FE 1.0, building on DFT-FE 0.6 [Comput. Phys. Commun. 246, 106853 (2020)], to conduct fast and accurate large-scale density functional theory (DFT) calculations (reaching ~ 100,000 electrons) on both many-core CPU and hybrid CPU-GPU computing architectures. This work involves improvements in the real-space formulation—via an improved treatment of the electrostatic interactions that substantially enhances the computational efficiency—as well high-performance computing aspects, including the GPU acceleration of all the key compute kernels in DFT-FE. We demonstrate the accuracy by comparing the ground-state energies, ionic forces and cell stresses on a wide-range of benchmark systems against those obtained from widely used DFT codes. Further, we demonstrate the numerical efficiency of our implementation, which yields ~ 20× CPU-GPU speed-up by using GPU acceleration on hybrid CPU-GPU nodes. Notably, owing to the parallel-scaling of the GPU implementation, we obtain wall-times of 80–140 seconds for full ground-state calculations, with stringent accuracy, on benchmark systems containing ~ 6, 000 – 15,000 electrons.

pseudopotential↗

Shadow Molecular Dynamics and Atomic Cluster Expansions for Flexible Charge Models

Here, a shadow molecular dynamics scheme for flexible charge models is presented where the shadow Born–Oppenheimer potential is derived from a coarse-grained approximation of range-separated density functional theory. The interatomic potential, including the atomic electronegativities and the charge-independent short-range part of the potential and force terms, is modeled by the linear atomic cluster expansion (ACE), which provides a computationally efficient alternative to many machine learning methods. The shadow molecular dynamics scheme is based on extended Lagrangian (XL) Born–Oppenheimer molecular dynamics (BOMD). XL-BOMD provides stable dynamics while avoiding the costly computational overhead associated with solving an all-to-all system of equations, which normally is required to determine the relaxed electronic ground state prior to each force evaluation. To demonstrate the proposed shadow molecular dynamics scheme for flexible charge models using atomic cluster expansion, we emulate the dynamics generated from self-consistent charge density functional tight-binding (SCC-DFTB) theory using a second-order charge equilibration (QEq) model. The charge-independent potentials and electronegativities of the QEq model are trained for a supercell of uranium oxide (UO 2 ) and a molecular system of liquid water. The combined ACE+XL-QEq molecular dynamics simulations are stable over a wide range of temperatures both for the oxide and for the molecular systems and provide a precise sampling of the Born–Oppenheimer potential energy surfaces. Accurate ground Coulomb energies are produced by the ACE-based electronegativity model during an NVE simulation of UO 2 , predicted to be within 1 meV of those from SCC-DFTB on average during comparable simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analysis of the Feasibility of UAS-Based EMI Sensing for Underground Utilities Detection and Mapping

This paper investigates the feasibility of using a linear current sensing (LCS) technique integrated on an unmanned aerial system (UAS) for detecting and mapping underground infrastructure rapidly and cost-effectively. The LCS technique is based on data from a wide band of electromagnetic induction frequencies (50 kHz to 2 MHz) using a vector magnetic field gradiometer. This technique takes advantage of a slowly decaying secondary magnetic field in order to achieve greater standoff detection distance ($\frac{1}{R^2}$ vs. $\frac{1}{R^6}$ for compact metallic targets during EMI sensing, where R is the distance from a target to the sensor). These secondary magnetic fields are produced by the excite current on long conductors, allowing detection at a distance of 10 meters or more. The system operates between tens of kHz to a few MHz and uses either an active EMI source or existing EM fields to excite this linear current on a long metallic subsurface target. Once excited, these linear currents produce a secondary magnetic field that is detected with an above ground triaxial magnetic field gradiometer. By moving and tracking its geolocation, the system outputs rich datasets sufficient to support high-fidelity forward and inverse EMI models for estimating the depth and orientation of deep underground long linear metallic infrastructure. The system’s hardware and its integration to a UAS system are outlined, along with the formulation of LCS theory, and numerical and experimental data are presented. The results illustrate that the LCS technique offers large standoff detection, is adaptable to UAS, and could be used effectively for detecting deep underground infrastructure such as wires and pipes.

54 ENVIRONMENTAL SCIENCES↗

Toward a persistent event-streaming system for high-performance computing applications

High-performance computing (HPC) applications have traditionally relied on parallel file systems and file transfer services to manage data movement and storage. Alternative approaches have been proposed that use direct communications between application components, trading persistence and fault tolerance for speed. Event-driven architectures, as popularized in enterprise contexts, present a compelling middle ground, avoiding the performance cost and API constraints of parallel file systems while retaining persistence and offering impedance matching between application components. However, adapting streaming frameworks to HPC workloads requires addressing challenges unique to HPC systems. This paper investigates the potential for a streaming framework designed for HPC infrastructures and use cases. We introduce Mofka, a persistent event-streaming framework designed specifically for HPC environments. Mofka combines the capabilities of a traditional streaming service with optimizations tailored to the HPC context, such as support for massively multicore nodes, efficient scaling for large producer-consumer workflows, RDMA-enabled high-performance network communications, specialized network fabrics with multiple links per node, and efficient handling of large scientific data payloads. Built using the Mochi suite of HPC data service components, Mofka provides a lightweight, modular, and high-performance solution for persistent streaming in HPC systems. We present the architecture of Mofka and evaluate its performance against Kafka and Redpanda using benchmarks on diverse platforms, including Argonne's Polaris and Oak Ridge's Frontier supercomputers, showing up to 8× improvement in throughput in some scenarios. We then demonstrate its utility in several real-world applications: a tomographic reconstruction pipeline, a workflow for the discovery of metal-organic frameworks for carbon capture, and the instrumentation of Dask workflows for provenance tracking and performance analysis.

HPC↗

Coupling Subsurface and Above-Surface Models for Optimizing the Design of Borefields and District Heating and Cooling Systems

Accurate dynamic energy simulation is important for the design and sizing of district heating and cooling systems with geothermal heat exchange for seasonal energy storage. Current modeling approaches in building and district energy simulation tools typically consider heat conduction through the ground between boreholes without flowing groundwater. While detailed simulation tools for subsurface heat and mass transfer exist, these fall short in simulating above-surface energy systems. To support the design and operation of such systems, the study developed a coupled model including a software package for building and district energy simulation, and software for detailed heat and mass transfer in the subsurface. For the first, it uses the open-source Modelica Buildings Library, which includes dynamic simulation models for building and district energy and control systems. For the heat and mass transfer in the soil, it uses the TOUGH simulator. The TOUGH family of codes can model heat and multi-phase, multi-component mass transport for a variety of fluid systems, as well as chemical reactions, in fractured porous media. The study validated the coupled modeling approach by comparing the simulation results with one from the g-function based ground response model. It then looked into effects when the water table and the regional groundwater flow are considered in the ground, from the perspective of heat exchange between borehole and ground, and the electrical consumption of the district heating and cooling systems. To access the simulation models, please find the links in the submission: -- For coupled approach validation: see model Buildings.Fluid.Geothermal.Borefields.Examples.BorefieldsWithTough and Buildings.Examples.DistrictReservoirNetworks.Examples.Reservoir3Variable_TOUGH from the "Modelica Building Library" resource, branch issue1495_tough_interface, commit a2667c0. -- For the study of the effect of water table: see model Buildings.Examples.DistrictReservoirNetworks.Examples.Reservoir3Variable_TOUGH from he "Modelica Building Library" resource, branch issue1495_tough_interface_moreIO, commit 760de49. -- For the study of the effect of regional groundwater flow: see Buildings.Examples.DistrictReservoirNetworks.Examples.Reservoir3Variable_TOUGH from he "Modelica Building Library" resource, branch issue1495_tough_interface_moreIO_3D, commit c2a2d2a. The coupling interface script "GrounResponse.py" can be found from the above links in the folder Buildings/Resources/Python-Sources. Also, the needed files for TOUGH simulation are in the folder Buildings/Resources/Python-Sources/ToughFiles that can be accessed through the above links. A brief description of these files is given below; detailed specifications for the first three files may be found in the TOUGH3 Users Guide (Jung et al., 2018) https://tough.lbl.gov/documentation/tough-manuals/. (1) INCON - initial conditions for each grid block (2) INFILE - main input file with material properties and control parameters (3) MESH - description of the computational grid (4) readsave - Modelica/TOUGH interface program: read the final output of TOUGH simulation after TOUGH time step and prepare for transfer to Modelica for next Modelica time step (5) readsave.inp - input parameters for program readsave (6) writeincon - Modelica/TOUGH interface program: write the output of Modelica after Modelica time step and prepare for transfer to TOUGH as initial conditions for the next TOUGH step (7) writeincon.inp - input parameters for program writeincon

15 GEOTHERMAL ENERGY↗

Wind and Temperature Consensus at Horn Point, HU-Beltsville, Piney Run (Maryland) in support of CoURAGE

The Maryland Department of the Environment (MDE) operates a ground-based atmospheric profiling network consisting of collocated radar wind profilers (RWP) and radio acoustic sounding systems (RASS) as part of its Ambient Air Monitoring Program. This network provides continuous observations of wind and temperature structure in the lower troposphere to support air quality forecasting, regulatory analysis, and atmospheric research. The network currently includes three fixed sites across Maryland: Horn Point (HP, lower eastern shore) [38.587525°,-76.141006°], Howard University-Beltsville (HUB, central Maryland) [39.055277°, -76.878632°], and Piney Run (PR, western Maryland) [39.705950°, -79.012000°] The network is designed to capture regional variability in atmospheric transport and boundary-layer processes. These systems measure vertical profiles of horizontal wind speed and direction using Doppler radar techniques, with observations typically spanning from ~100 m above ground level up to approximately 2.5–4 km. Measurements are derived from the Doppler shift of backscattered electromagnetic signals, enabling retrieval of wind vectors at multiple altitudes with high temporal resolution (e.g., 30-minute averages reported every 6 minutes). Each radar wind profiler is paired with a Radio Acoustic Sounding System (RASS) to provide profiles of virtual temperature in the lower atmosphere (~100–200 m AGL) by measuring the propagation speed of acoustic waves. Together, the RWP/RASS system yields a coupled data set of thermodynamic and kinematic atmospheric structure, including additional parameters such as vertical velocity, radial velocity, signal-to-noise ratio, and spectral width for advanced analysis. There are two types of files for each station: wind data (files with a "w" prefix) and virtual temperature RASS data (files with a "t" prefix). The wind data files are in the format wYYDDD.cns, where YY is the 2-digit year and DDD is the day of the year. The RASS virtual temperature data files are in the format tYYDDD.cns. Each record has the following header structure: Line 1 : Station Name RASS files Line 2 : RASS rev DeTect_2.0, WINDS files Line 2 : WINDS rev ATI 5.1 Line 3 : N latitude, W longitude, and site elevation (m) Line 4 : Date and begin time of consensus: yy mm dd hh mn ss plus # minutes to add to get UTC Line 5 : Consensus averaging time (minutes); number of beams; number of range gates Line 6 : Number of records required to make consensus (num) total number of records (tot) and the consensus window size (m/s) in the format: num:tot (window) RASS files Line 7 : no. of coded cells, no. of spec, pulse width (ns), and inter-pulse period (µs), WINDS files Line 7 : No. of coded cells, no. of spectra, pulse width (ns), and inter-pulse period (µs), each with a pair of values: first value is for oblique beams, second for vertical RASS files Line 8 : Full scale Doppler value (m/s) Delay to first gate (ns) Number of gates Spacing of gates (ns), WINDS files Line 8 : Full scale Doppler velocity (m/s), oblique and vertical Vertical correction applied to oblique beams? (0 = no, 1 = yes) Delay to first gate (ns), oblique and vertical Number of gates, oblique and vertical Spacing of gates (ns), oblique and vertical Line 9 : Azimuth and elevation (9s indicate vertical beam not used) RASS files Line 10, values : HT = Height above ground (km), T = Uncorrected virtual temperature consensus (deg C), Tc = Corrected virtual temperature consensus (deg C), W = Vertical wind consensus (9s indicate vertical beam not used, w-component, positive upward, m/s), CNT = Number of records that made consensus (for the 3 values in same order), SNR = Average signal to noise ratio (dB) of records in consensus (same order) WINDS files Line 10, values : HT = Height above ground (km), SPD = Wind speed (m/s), DIR = Wind direction (deg E of N from N), RAD = Radial velocities for each beam (m/s) in order given in azimuth and elevation line (positive toward radar; 9s indicate vertical beam not used, CNT = Number of records that made consensus, SNR = Average signal to noise ratio (dB) of records in consensus

{"wind speed and direction",temperature}↗

Floating photovoltaic power plants: A review of energy yield, reliability, and operation and maintenance

Photovoltaic (PV) systems are essential for the transition to sustainable energy, reducing fossil fuel dependence and mitigating climate change. Although PV requires minimal land area — PV can meet the European Union's energy needs using only 0.26% of its land — space for deployment is often scarce in densely populated regions. Floating photovoltaics (FPV) offer an effective solution to land-use challenges by installing PV systems on floating structures in water bodies. FPV is a growing niche within PV with a cumulative installed capacity reaching 7.7 GW globally by 2023. Almost 90% of the installed FPV capacity is in Asia, with close to 50% of in China alone, while the Netherlands and France are the largest markets outside Asia. FPV shows strong potential to support climate targets, but still faces challenges like regulatory barriers, cost competitiveness compared to ground-based PV (GPV), and uncertainties about environmental impacts and system reliability. FPV systems are currently installed mainly on sheltered inland waters, such as quarry lakes, irrigation ponds and reservoirs. FPV technical standards are still being developed. Guidelines have been published by the World Bank, DNV, and Solar Power Europe, and emerging national standards from South Korea, China, and Singapore address design, components, and safety. The International Electrotechnical Commission (IEC) is working on formal standards for floats, mooring systems, and electrical connectors. However, the published best practices lack quantitative guidance for yield modelling and reliability, which this report aims to address. It provides data-driven insights, models, and parameters essential for accurate energy yield, reliability, and maintenance predictions over FPV systems' lifetimes.

14 SOLAR ENERGY↗

Shadow molecular dynamics and atomic cluster expansions for flexible charge models

A shadow molecular dynamics scheme for flexible charge models is presented, where the shadow Born-Oppenheimer potential is derived from a coarse-grained approximation of range-separated density functional theory. The interatomic potential, including the atomic electronegativities and the charge-independent short-range part of the potential and force terms, are modeled by the linear atomic cluster expansion (ACE), which provides a computationally efficient alternative to many machine learning methods. The shadow molecular dynamics scheme is based on extended Lagrangian (XL) Born-Oppenheimer molecular dynamics (BOMD) [Eur. Phys. J. B 94, 164 (2021)]. XL-BOMD provides a stable dynamics, while avoiding the costly computational overhead associated with solving an all-to-all system of equations, which normally is required to determine the relaxed electronic ground state prior to each force evaluation. To demonstrate the proposed shadow molecular dynamics scheme for flexible charge models using the atomic cluster expansion, we emulate the dynamics generated from self-consistent charge density functional tight-binding (SCC-DFTB) theory using a second-order charge equilibration (QEq) model. The charge-independent potentials and electronegativities of the QEq model are trained for a supercell of uranium oxide (UO2) and a molecular system of liquid water. The combined ACE + XL-QEq dynamics are stable over a wide range of temperatures both for the oxide and the molecular systems, and provide a precise sampling of the Born-Oppenheimer potential energy surfaces. Accurate ground Coulomb energies are produced by the ACE-based electronegativity model during an NVE simulation of UO 2 , predicted to be within 1 meV of those from SCC-DFTB on average during comparable simulations.

74 ATOMIC AND MOLECULAR PHYSICS↗