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At least 523 records · Page 29

Simulation Study of Landau Damping Near the Persisting to Arrested Transition

A one-dimensional electrostatic filtered Vlasov-Poisson simulation study is discussed. The transition from persisting to arrested Landau damping that is produced by increasing the strength of a sinusoidal perturbation on a background Vlasov-Poisson equilibrium is explored. Emphasis is placed on observed features of the electron phase-space distribution when the perturbation strength is near the transition value. A single ubiquitous waveform is found perturbing the space-averaged phase-space distribution at almost any time in all of the simulations; the sole exception is the saturation stage that can occur at the end of the arrested damping scenario. This waveform contains relatively strong, very narrow structures in velocity bracketing (plus or minus velocity (sub res)) - the velocities at which electrons must move to traverse the dominant field mode wavelength in one of its oscillation periods - and propagating with (plus or minus velocity (sub res)) respectively. Local streams of electrons are found in these structures crossing the resonant velocities from low speed to high speed during Landau damping and from high speed to low speed during Landau growth. At the arrest time, when the field strength is briefly constant, these streams vanish. It is conjectured that the expected transfer of energy between electrons and field during Landau growth or damping has been visualized for the first time. No evidence is found in the phase-space distribution to support recent well-established discoveries of a second-order phase transition in the electric field evolution. While trapping is known to play a role for larger perturbation strengths, it is shown that trapping plays no role at any time in any of the simulations near the transition perturbation strength.

plasma simulation↗

Full Simulation of CMS for Run-3 and Phase-2

In this contribution we report the status of the CMS Geant4 simulation and the prospects for Run-3 and Phase-2. Firstly, we report about our experience during the start of Run-3 with Geant4 10.7.2, the common software package DD4hep for geometry description, and VecGeom runtime geometry library. In addition, FTFP_BERT_EMM Physics List and CMS configuration for tracking in magnetic field have been utilized. For the first time, for the Grid mass production of Monte-Carlo, this combination of components is used. Further simulation improvements are under development targeting Run-3 such as the switch to the new Geant4 11.1 in production, that provides several features important for the optimization of simulation, for example the new transportation process with built-in multiple scattering, neutron general process, custom tracking manager, G4HepEm sub-library, and others. We will present evaluation of various options, validation results, and the final choice of simulation configuration for 2023 production and beyond. The performance of the CMS full simulation for Run-2 and Run-3 will also be discussed. CMS development plan for the Phase-2 Geant4 based simulation is very ambitious, and it includes a new geometry description, physics, and simulation configurations. The progress on new detector descriptions and full simulation will be presented as well as the R&D in progress to reduce compute capacity needs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Observation-constrained kinetic modeling of isoprene SOA formation in the atmosphere

Isoprene has the largest global non-methane hydrocarbon emission, and the oxidation of isoprene plays a crucial role in the formation of secondary organic aerosol (SOA). Two primary processes are known to contribute to SOA formation from isoprene oxidation: (1) the reactive uptake of isoprene-derived epoxides on acidic or aqueous particle surfaces and (2) the absorptive gas–particle partitioning of low-volatility oxidation products. In this study, we developed a new multiphase condensed isoprene oxidation mechanism that includes these processes with key molecular intermediates and products. The new mechanism was applied to simulate isoprene gas-phase oxidation products and SOA formation from previously published chamber experiments under a variety of conditions and atmospheric observations during the Southern Oxidant and Aerosol Studies (SOAS) field campaign. Our results show that SOA formation from most of the chamber experiments is reasonably reproduced using our mechanism, except when the concentration ratios of initial nitric oxide to isoprene exceed ~ 2, the formed SOA is significantly underpredicted. The SOAS simulations also reasonably agree with the measurements regarding the diurnal pattern and concentrations of different product categories, while the total isoprene SOA remains underestimated. The molecular compositions of the modeled SOA indicate that multifunctional low-volatility products contribute to isoprene SOA more significantly than previously thought, with a median mass contribution of ~ 57 % to the total modeled isoprene SOA. However, this contribution is intricately intertwined with IEPOX-derived SOA (IEPOX: isoprene-derived epoxydiols), posing challenges for their differentiation using bulk aerosol composition analysis (e.g., the aerosol mass spectrometer with positive matrix factorization). Furthermore, the SOA from these pathways may vary greatly, mainly dependent on the volatility estimation and treatment of particle-phase processes (i.e., photolysis and hydrolysis). Our findings emphasize that the various pathways to produce these low-volatility species should be considered in models to more accurately predict isoprene SOA formation. The new condensed isoprene chemical mechanism can be further incorporated into regional-scale air quality models, such as the Community Multiscale Air Quality Modelling System (CMAQ), to assess isoprene SOA formation on a larger scale.

54 ENVIRONMENTAL SCIENCES↗

Weak double layers in the auroral ionosphere

Previous work on the evolution of weak double layers in a hydrogen plasma was extended to include H(+) and O(+) with relative drift. The relative drift between hydrogen and oxygen ions due to a quasi-static parallel electric field gives rise to a strong linear fluid instability which dominates the ion-acoustic mode at the bottom of the auroral acceleration region. This ion-ion instability can modify ion distributions at lower altitudes and the subsequent nonlinear evolution of weak double layers at higher altitudes in the ion-acoustic regime. Ion hole formation can occur for smaller relative electron-ion drifts than seen in previous simulations, due to the hydrogen-oxygen two-stream instability. This results in local modification of the ion distributions in phase space, and a partial filling of the valley between the hydrogen and oxygen peaks, which would be expected at higher altitudes on auroral field lines. The observed velocity diffusion does not necessarily preclude ion hole and double layer formation in hydrogen in the ion-acoustic regime. These simulation results are consistent with the experimentally measured persistence of separate hydrogen and oxygen peaks, and the observation of weak double layers above an altitude of 3000 km on auroral field lines.

Hudson, M. K.↗

Nucleation Rate Theory for Coordination Number: Elucidating Water-Mediated Formation of a Zigzag Na 2 SO 4 Morphology

Predicting and controlling nanostructure formation during nucleation can pave the way to synthesizing novel energy materials via crystallization. However, such control over nucleation and crystallization remains challenging due to an inadequate understanding of critical factors that govern evolving atomistic structures and dynamics. Here, in this paper, we utilize coordination number as a reaction coordinate and rate theory to investigate how sodium sulfate, commonly known as a phase-change energy material, nucleates in a supersaturated aqueous solution. In conjunction with ab initio and force field-based molecular dynamics simulation, the rate theoretical analysis reveals that sodium sulfate from an initially dissolved metastable state transits to a heterogeneous mixture of prenucleated clusters and finally to a large cylindrical zigzag morphology. Measurements of Raman spectra and their ab initio modeling confirm that this nucleated morphology contains a few waters for every sulfate. Rate processes such as solvent exchange and desolvation exhibit high sensitivity to the evolving prenucleation/nucleation structures, providing a means to distinguish between critical nucleation precursors. Desolvation and forming the first-shell interionic coordination structure via monomer-by-monomer addition around sulfates are found to explain the formation of large nuclei. Thus, a detailed understanding of the step-by-step structure formation across scales has been achieved. This can be leveraged to predict nucleation-related structures and dynamics and potentially control the synthesis of novel phase-change materials for energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Wavenumber-frequency deconvolution of aeroacoustic microphone phased array data of arbitrary coherence

Deconvolution of aeroacoustic data acquired with microphone phased arrays is a computationally-challenging task for distributed sources with arbitrary coherence. A new technique for performing such deconvolution is proposed. This technique relies on analysis of the array data in the wavenumber-frequency domain, allowing for fast convolution and reduced storage requirements when compared to traditional coherent deconvolution. A positive semidefinite constraint for the iterative deconvolution procedure is implemented and shows improved behavior in terms of quantifiable convergence metrics when compared to a standalone covariance inequality constraint. A series of simulations validates the method's ability to resolve coherence and phase angle relationships between partially-coherent sources, as well as determines convergence criteria for deconvolution analysis. Simulations for point sources near the microphone phased array show potential for handling such data in the wavenumber-frequency domain. In particular, a physics-based integration boundary calculation is described, and can successfully isolate sources and track the appropriate integration bounds with and without the presence of flow. Magnitude and phase relationships between multiple sources are successfully extracted. Limitations of the deconvolution technique are determined from the simulations, particularly in the context of a simulated acoustic field in a closed test section wind tunnel with strong boundary layer contamination. A final application to a trailing edge noise experiment conducted in an open-jet wind tunnel matches best estimates of acoustic levels from traditional calculation methods and qualitatively assesses the coherence characteristics of the trailing edge noise source.

phased array↗

Error field measurements with rotating RMP fields for DIII-D H-mode

3D magnetic sensors are employed to identify the amplitude and toroidal phase of error fields (EF) by analyzing the torque balance for magnetic islands entrained by rotating resonant magnetic perturbations (RMPs) in DIII-D H-mode plasmas. This technique of torque balance allows for efficient error field identification, offering a valuable tool for scenario-specific and optimized error field compensation (EFC) and requires only magnetic diagnostics. The torque balance used in this work includes the contribution from electromagnetic torque due to error fields, wall response, RMP fields, and viscous. Results show that viscous torque plays a crucial role, particularly during locked modes and H-mode plasmas, ensuring accurate data fits with lower residuals. The torque balance technique reveals that the L- and H-mode plasmas have distinct EF configurations, and consistent with a model-based EF analysis including MHD response in IPEC and the SURFMN EF simulation. This technique shows great robustness in measuring the intrinsic EF amplitude regardless of its amplitude or toroidal phase. Repeated discharges with EFC disparities exhibit consistent results of intrinsic error field within a reasonable range near the “standard” error field compensation. Additionally, the use of a rotating n = 1 resonant magnetic perturbation offers the advantage of reducing disruption risks by entraining saturated magnetic islands. These findings are instrumental for optimizing EF correction in fusion devices, thereby enhancing tearing mode suppression and overall plasma stability.

3D magnetic sensors↗

Global Simulation of Proton Precipitation Due to Field Line Curvature During Substorms

The low latitude boundary of the proton aurora (known as the Isotropy Boundary or IB) marks an important boundary between empty and full downgoing loss cones. There is significant evidence that the IB maps to a region in the magnetosphere where the ion gyroradius becomes comparable to the local field line curvature. However, the location of the IB in the magnetosphere remains in question. In this paper, we show simulated proton precipitation derived from the Field Line Curvature (FLC) model of proton scattering and a global magnetohydrodynamic simulation during two substorms. The simulated proton precipitation drifts equatorward during the growth phase, intensifies at onset and reproduces the azimuthal splitting published in previous studies. In the simulation, the pre-onset IB maps to 7-8 RE for the substorms presented and the azimuthal splitting is caused by the development of the substorm current wedge. The simulation also demonstrates that the central plasma sheet temperature can significantly influence when and where the azimuthal splitting takes place.

Field Line Curvature↗

Phase-field modeling of diffusion bonding in 316H stainless steel: Impact of processing conditions on grain morphology and bonding quality

A novel multi-phase, multi-component phase‐field model is presented to study the diffusion bonding of 316H stainless steel. Combined with targeted experimental investigations, this model simulates the bond-growth process and predicts the bonding quality. Unlike previous models, our approach captures the simultaneous evolution of voids and grain structures, while quantifying bonding quality using defined bonding ratio. A comprehensive analysis of bond process control is performed by changing temperature, pressure and surface roughness observing the resulting bond structure, which is consistent with experimental observations and analytical predictions. Temperature is determined to be the dominant factor, with the transition from a flat to a robust bond occurring between 1000 °C and 1050 °C. At the ideal bonding temperature of 1050 °C, a surface roughness exceeding 0.6 μm or an applied stress below 4 MPa results in poor bonding quality. Beyond this, higher pressures and smoother surfaces reduce void size, accelerate void shrinkage, and lead to improved bond integrity. This diffuse-interface model can be extended to other material systems if supplied with appropriate thermodynamic and kinetic data. In conclusion, this makes it an effective modeling platform for optimizing high-temperature diffusion bonding and developing reliable bonded components such as compact heat exchangers.

Diffusion bonding↗

Polarization‐Engineered Near‐Field Generation Using a Hybrid Tip–Antenna System

Precise control of light polarization at the nanoscale is critical for accessing chiral optical responses and manipulating spin–photon interactions in advanced materials. Yet, conventional scattering-type near-field probes predominantly generate out-of-plane linear polarization and offer little control over phase or polarization state. Here, in this study, we introduce a polarization-engineered near-field methodology based on a combined metallic tip and planar dipole nanoantenna system. Using full-wave electromagnetic simulations, we show that the tip acts as a vertically oriented plasmonic resonator, while the antenna supports an in-plane dipolar mode. By tuning the tip–antenna geometry and tip height, the two orthogonal field components attain comparable amplitudes and a controllable ∼90° phase offset, producing circularly polarized nano-light in the antenna gap. The proposed system effectively functions as a nanoscale quarter-wave plate, converting linearly polarized illumination into circularly polarized hotspots without external polarization optics. This method establishes an experimentally accessible route toward polarization-programmable near-field nanoscopy, enabling chiral spectroscopy, selective excitation of spin/valley degrees of freedom, and quantum optical investigations at the nanoscale.

36 MATERIALS SCIENCE↗

Modeling Macro- and Micro-Scale Turbulent Mixing and Chemistry in Engine Exhaust Plumes

Simulation of turbulent mixing and chemical processes in the near-field plume and plume-vortex regimes has been successfully carried out recently using a reduced gas phase kinetics mechanism which substantially decreased the computational cost. A detailed mechanism including gas phase HOx, NOx, and SOx chemistry between the aircraft exhaust and the ambient air in near-field aircraft plumes is compiled. A reduced mechanism capturing the major chemical pathways is developed. Predictions by the reduced mechanism are found to be in good agreement with those by the detailed mechanism. With the reduced chemistry, the computer CPU time is saved by a factor of more than 3.5 for the near-field plume modeling. Distributions of major chemical species are obtained and analyzed. The computed sensitivities of major species with respect to reaction step are deduced for identification of the dominant gas phase kinetic reaction pathways in the jet plume. Both the near field plume and the plume-vortex regimes were investigated using advanced mixing models. In the near field, a stand-alone mixing model was used to investigate the impact of turbulent mixing on the micro- and macro-scale mixing processes using a reduced reaction kinetics model. The plume-vortex regime was simulated using a large-eddy simulation model. Vortex plume behind Boeing 737 and 747 aircraft was simulated along with relevant kinetics. Many features of the computed flow field show reasonable agreement with data. The entrainment of the engine plumes into the wing tip vortices and also the partial detrainment of the plume were numerically captured. The impact of fluid mechanics on the chemical processes was also studied. Results show that there are significant differences between spatial and temporal simulations especially in the predicted SO3 concentrations. This has important implications for the prediction of sulfuric acid aerosols in the wake and may partly explain the discrepancy between past numerical studies (that employed parabolic or temporal approximations) and the measured data. Finally to address the major uncertainty in the near-field plume modeling related to the plume processing of sulfur compounds and advanced model was developed to evaluate its impact on the chemical processes in the near wake. A comprehensive aerosol model is developed and it is coupled with chemical kinetics and the axisymmetric turbulent jet flow models. The integrated model is used to simulate microphysical processes in the near-field jet plume, including sulfuric acid and water binary homogeneous nucleation, coagulation, non-equilibrium heteromolecular condensation, and sulfur-induced soot activation. The formation and evolution of aerosols are computed and analyzed. The computed results show that a large number of ultra-fine (0.3--0.6 nm in radius) volatile HSO4 - HO embryos are generated in the near-field plume. These embryos further grow in size by self coagulation and condensation. Soot particles can be activated by both heterogeneous nucleation and scavenging of H2SO4-H2O aerosols. These activated soot particles can serve as water condensation nuclei for contrail formation. Conditions under which ice contrails can form behind aircrafts are studied. The sensitivities of the threshold temperature for contrail formation with respect to aircraft propulsion efficiency, relative humidity, and ambient pressure are evaluated. The computed aerosol properties for different extent of fuel sulfur conversion to S(VI) (SO3 and H2SO4) in engine are examined and the results are found to be sensitive to this conversion fraction.

Menon, Suresh↗

Velocity structure functions in multiphase turbulence: interpreting kinematics of Hα filaments in cool-core clusters

ABSTRACT The central regions of cool-core galaxy clusters harbour multiphase gas, with gas temperatures ranging from $10$ to $10^7\, \mathrm{K}$. Feedback from active galactic nuclei jets prevents the gas from undergoing a catastrophic cooling flow. However, the exact mechanism of this feedback energy input is unknown, mainly due to the lack of velocity measurements of the hot-phase gas. However, recent observations have measured the velocity structure functions (VSFs) of the cooler molecular (${\sim} 10\, \mathrm{K}$) and Hα filaments (${\sim} 10^4\, \mathrm{K}$) and used them to indirectly estimate the motions of the hot phase. In the first part of this study, we conduct high-resolution (3843–15363 resolution elements) simulations of homogeneous isotropic subsonic turbulence, without radiative cooling. We analyse the second-order velocity structure functions (VSF2) in these simulations and study the effects of varying spatial resolution, the introduction of magnetic fields, and the effect of projection along the line of sight (LOS) on it. In the second part of the study, we analyse high-resolution (7683 resolution elements) idealized simulations of multiphase turbulence in the intracluster medium from the companion study Mohapatra et al. We compare the VSF2 for both the hot ($T\sim 10^7\, \mathrm{K}$) and cold ($T\sim 10^4\, \mathrm{K}$) phases and find that their amplitude depends on the density contrast between the phases. They have similar scaling with separation, but introducing magnetic fields steepens the VSF2 of only the cold phase. We also find that projection along the LOS steepens the VSF2 for the hot phase and mostly flattens it for the cold phase.

Mohapatra, Rajsekhar (ORCID:0000000216007552)↗

North Atlantic Simulations in Coordinated Ocean-Ice Reference Experiments Phase II (CORE-II). Part I: Mean States

Simulation characteristics from eighteen global ocean-sea-ice coupled models are presented with a focus on the mean Atlantic meridional overturning circulation (AMOC) and other related fields in the North Atlantic. These experiments use inter-annually varying atmospheric forcing data sets for the 60-year period from 1948 to 2007 and are performed as contributions to the second phase of the Coordinated Oceanice Reference Experiments (CORE-II). The protocol for conducting such CORE-II experiments is summarized. Despite using the same atmospheric forcing, the solutions show significant differences. As most models also differ from available observations, biases in the Labrador Sea region in upper-ocean potential temperature and salinity distributions, mixed layer depths, and sea-ice cover are identified as contributors to differences in AMOC. These differences in the solutions do not suggest an obvious grouping of the models based on their ocean model lineage, their vertical coordinate representations, or surface salinity restoring strengths. Thus, the solution differences among the models are attributed primarily to use of different subgrid scale parameterizations and parameter choices as well as to differences in vertical and horizontal grid resolutions in the ocean models. Use of a wide variety of sea-ice models with diverse snow and sea-ice albedo treatments also contributes to these differences. Based on the diagnostics considered, the majority of the models appear suitable for use in studies involving the North Atlantic, but some models require dedicated development effort. atmospheric forcing atmospheric temperatures

ocean model comparisons↗

Interface and Thermophysical Properties of R 32 Refrigerant

Driven by the urgent demand for efficient cooling in microelectronics and advanced thermal management systems, difluoromethane (R32/CH 2 F 2 ) has emerged as a promising candidate owing to its favorable thermophysical properties, including high heat transfer efficiency and low viscosity. While bulk properties such as density, viscosity, and thermal conductivity have been widely studied, interfacial properties, including surface tension and interfacial thickness, remain comparatively underexplored, despite their importance in phase-transition dynamics. Here, we perform molecular dynamics (MD) simulations from 180 to 300 K using an optimized transferable force field for fluoropropenes with enhanced electrostatics to assess both bulk and interfacial behavior of R32. Simulations reproduced density within ±2.1%, viscosity within 3.05%, and thermal conductivity within 7.41% of NIST reference data. Heat capacities (C p and C v ) were predicted within 5%. For interfacial properties, surface tension trends were reproduced within 13.58% deviation, and the vapor–liquid coexistence curve closely matched reference data, yielding a critical temperature of 345.7 K (1.6% deviation) and a critical density of 0.397 g/cm 3 (6.4% deviation). Importantly, the vapor–liquid interface exhibited pronounced temperature-dependent broadening across the 180–290 K range. This behavior correlates with increasing molecular kinetic energy, reduction in intermolecular cohesive interactions, and a progressive loss of preferential dipole alignment, which collectively enhance thermal fluctuation amplitudes at elevated temperatures. These validated results provide predictive molecular-level insights, particularly for interfacial properties that remain less characterized. By reducing property prediction errors in key parameters such as critical temperature, this work provides reliable inputs for heat-exchanger and system models. Such correlations can support optimized component sizing, improved performance, and reduced refrigerant charge. Beyond R32, the methodology offers a transferable framework for blended and next-generation low-GWP refrigerants, contributing to sustainable thermal management aligned with the 2027 EU F-Gas regulation and 2030 Kigali Amendment.

Fluids↗

In situ measurement and modelling of the growth and length scale of twins in α -uranium

Twinning is an important deformation mechanism in crystalline materials. Twins nucleate, then grow, forming a discrete pattern of deformation bands with a certain thickness. The mechanism for twin growth is not completely understood. We present a simple phase field model which captures the physics of twin growth and reproduces the details observed during in situ electron backscatter diffraction experiments on α-uranium. The interaction between residual dislocations at twin interfaces and mobile dislocations in untwinned regions increases the stress needed for twin growth. This is described by a nonlocal term in the proposed constitutive equations: the nucleation stress of a twin increases proportionally to the twin phase field in a neighborhood. Competition between slip and twinning favors the nucleation of a new twin rather than the growth of a preexisting twin. The phase field model is coupled with a crystal plasticity finite element solver that includes the plastic deformation due to twinning. Simulations are able to reproduce the number of twins and their thicknesses as a function of the strain observed during in situ electron backscatter diffraction experiments. The stress-strain curve is also reproduced. This comparison allows the values of the nucleation stress and the interaction strength between residual and mobile dislocations to be found. It also gives an estimation of the density of residual dislocations that is consistent with the observed twin thickness. Finally, this model can be applied to understand microstructural effects in materials using twinning as a strengthening mechanism.

36 MATERIALS SCIENCE↗

Maximum Power Reference Tracking Algorithm for Power Curtailment of Photovoltaic Systems

This paper presents an algorithm for power curtailment of photovoltaic (PV) systems under fast solar irradiance intermittency. Based on the Perturb and Observe (P&O) technique, the method contains an adaptive gain that is compensated in real-time to account for moments of lower power availability. In addition, an accumulator is added to the calculation of the step size to reduce the overshoot caused by large irradiance swings. A testbed of a three-phase single-stage, 500 kVA PV system is developed on the OPAL-RT eMEGAsim real-time simulator. Field irradiance data and a regulation signal from PJM (RTO) are used to compare the performance of the proposed method with other techniques found in the literature. Results indicate an operation with smaller overshoot, less dc-link voltage oscillations, and improved power reference tracking capability.

Paduani, Victor↗

Feynman diagrams for matter wave interferometry

We introduce a new theoretical framework based on Feynman diagrams to compute phase shifts in matter wave interferometry. The method allows for analytic computation of higher order quantum corrections, beyond the traditional semi-classical approximation. These additional terms depend on the finite size of the initial matter wavefunction and/or have higher order dependence on ℏ. We apply the method to compute the response of matter wave interferometers to power law potentials and potentials with an arbitrary spatial dependence. The analytic expressions are validated by comparing to numerical simulations, and estimates are provided for the scale of the quantum corrections to the phase shift response to the gravitational field of the earth, anharmonic trapping potentials, and gravitational fields from local proof masses. We also find that for certain experimentally feasible parameters, these corrections are large enough to be measured and could lead to systematic errors if they are not mitigated. We find that to first order in a spatially dependent potential, quantum corrections vanish when the initial matter wavepacket has spherical symmetry and the potential satisfies Laplace's equation. We anticipate these quantum corrections will be especially important for trapped matter wave interferometers and for free-space matter wave interferometers in the presence of proof masses. These interferometers are becoming increasingly sensitive tools for mobile inertial sensing, gravity surveying, tests of gravity and its interplay with quantum mechanics, and searches for dark energy.

Glick, Jonah [Northwestern U.; Fermilab] (ORCID:00↗