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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4

A Low-Rank QTT-based Finite Element Method for Elasticity Problems

We present an efficient and robust numerical algorithm for solving the linear elasticity problem that combines the Quantized Tensor Train format and a domain partitioning strategy. This approach makes it possible to solve the linear elasticity problem on a computational domain that is more general than a square. By integrating Z-ordering and subdomain concatenation, our method substantially decreases memory usage and achieves a notable reduction in rank compared to established Finite Element implementations like the FEniCS platform. This efficiency is maintained while still guaranteeing exponential convergence with respect to the number of degrees of freedom. This performance gain, however, requires a fundamental rethinking of how core finite element operations are implemented. This includes changes to mesh discretization, node and degree of freedom ordering, stiffness matrix and internal nodal force assembly, and the execution of algebraic matrix-vector operations. In this work, we discuss all these aspects in detail and assess the method’s performance in the numerical approximation of three representative test cases.

97 MATHEMATICS AND COMPUTING↗

OBSERVATIONS OF THE GROWTH OF AN ACTIVE REGION FILAMENT

We present observations of the growth of an active region filament caused by magnetic interactions among the filament and its adjacent superpenumbral filament (SF) and dark thread-like structures (T). Multistep reconnections are identified during the whole growing process. Magnetic flux convergence and cancellation occurring at the positive footpoint region of the filament is the first step reconnection, which resulted in the filament bifurcating into two sets of intertwined threads. One set anchored in situ, while the other set moved toward and interacted with the SF and part of T. This indicates the second step reconnection, which gave rise to the disappearance of the SF and the formation of a long thread-like structure that connects the far ends of the filament and T. The long thread-like structure further interacted with the T and then separated into two parts, representing the third step reconnection. Finally, another similar long thread-like structure, which intertwined with the fixed filament threads, appeared. H {sub α} observations show that this twisted structure is a longer sinistral filament. Based on the observed photospheric vector magnetograms, we performed a non-linear force-free field extrapolation to reconstruct the magnetic fields above the photosphere and found that the coronal magnetic field lines associated with the filament consists of two twisted flux ropes winding around each other. These results suggest that magnetic interactions among filaments and their adjacent SFs and T could lead to the growth of the filaments, and the filament is probably supported in a flux rope.

79 ASTRONOMY AND ASTROPHYSICS↗

Formation and Eruption Process of a Filament in Active Region NOAA 12241

In order to better understand active-region filaments, we present an intensive study on the formation and eruption of a filament in active region NOAA 12241 during the period from 2014 December 18 to 19. Using observations from the Helioseismic and Magnetic Imager (HMI) vector magnetograms, we investigate the helicity injection rate, Lorentz force, and vertical electric current in the entire region associated with the filament. The helicity injection rate before eruption is found to be larger than that after eruption, while the vertical electric current undergoes an increase at first and then a gradual decrease, similar to what the magnetic flux undergoes. Meanwhile, we find that the right part of the filament is formed by magnetic reconnection between two bundles of magnetic field lines while the left part originated from shearing motion. The interaction of the two parts causes the eruption of this filament. The mean horizontal magnetic fields in the vicinity of the magnetic polarity inversion line (PIL) enhance rapidly during the eruption. Another striking phenomenon, where the vertical electric currents close to the magnetic PIL suddenly expand toward two sides during the eruption, is found. We propose that this fascinating feature is associated with the release of energy during the eruption.

79 ASTRONOMY AND ASTROPHYSICS↗

Efficient Modeling of Floating Wind Arrays Including Current Loads and Seabed Bathymetry: Preprint

Capabilities for modeling the effects of seabed bathymetry and current drag loads on a floating wind farm are now available in an open-source model for quasi-static analysis. In this model, mooring lines and dynamic cables are represented by a quasistatic solver that can quickly represent complex mooring/cabling arrangements and arrays of floating bodies. To account for seabed bathymetry, we expand the model to include a surface mesh that captures changes in water depth over a rectangular grid. We formulate modifications to the catenary equations that capture a mooring line's profile and tensions when contacting a slope seabed. To account for current drag loads on mooring lines and dynamic cables, we formulate a novel technique that rotates the reference frame so that the vector sum of the the weight and the current force are used in the catenary equations, while accounting for the seabed orientation. To complete the system, current drag loads on floating substructures are handled by inclusion of strip-theory drag calculations. These new capabilities are verified by comparing with results from the established offshore dynamics models MoorDyn and OrcaFlex in equivalent steady-state scenarios. The results show very good agreement for both sloped seabeds and current loads. With computation times of the quasi-static model typically under one second, the model additions are a useful capability toward rapidly evaluating a floating wind array's response to environmental loads under realistic site conditions.

bathymetry↗

Relativistic spin dynamics for vector mesons

We propose a relativistic theory for spin density matrices of vector mesons based on Kadanoff-Baym equations in the closed-time-path formalism. The theory puts the calculation of spin observables such as the spin density matrix element ρ 00 for vector mesons on a solid ground. Within the theory we formulate ρ 00 for ϕ mesons into a factorization form in separation of momentum and spacetime variables. We argue that the main contribution to ρ 00 at lower energies should be from the ϕ fields that can polarize the strange quark and antiquark in the same way as electromagnetic fields. The key observation is that there is correlation inside the ϕ meson wave function between the ϕ field that polarizes the strange quark and that polarizes the strange antiquark. This is reflected by the fact that the contributions to ρ 00 are all in squares of fields that are nonvanishing even if the fields may strongly fluctuate in spacetime. The fluctuation of strong force fields can be extracted from ρ 00 of unflavored vector mesons as links to fundamental properties of quantum chromodynamics. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A machine learning-based interaction force model for non-spherical and irregular particles in low Reynolds number incompressible flows

In this study, interaction force of non-spherical particles in low Reynolds number gas-solid flow is investigated by neural network approaches. An artificial neural network (ANN) model is developed to correlate the non-spherical particle shape and the flow conditions with the interaction force. To define the particle shape, spherical harmonic expansion is applied. Furthermore, variational autoencoder model is then used to extract latent geometric features. The latent vector is utilized as an input with the Reynolds number for the ANN. The interaction force data, which is used as output data of the ANN, is obtained by particle resolved direct numerical simulation for 5200 non-spherical particles. The proposed model enables unsupervised extraction for non-spherical particle shapes and accurate predictions on the interaction force without heavy computation. This study provides the model that can explain complicated shapes of particles and be applied to a large scale, computational fluid dynamics simulation.

01 COAL, LIGNITE, AND PEAT↗

Deep learning for drag force modelling in dilute, poly-dispersed particle-laden flows with irregular-shaped particles

Here, this study applies machine learning-based approaches to develop a drag force model for irregular-shaped particles in incompressible flows. The particle-laden flows are studied through an in-house particle-resolved direct numerical simulation (PR-DNS) at low-intermediate Reynolds numbers (Re). We utilize the PR-DNS to obtain drag force coefficients and flow fields of single particles. A variational auto-encoder model is used to obtain latent vectors to represent the geometrical features of the particles, and artificial neural networks (ANN) are developed to predict drag force coefficients and flow fields of the single particles. This study applies a pairwise interaction extended point-particle (PIEP) model to obtain the coefficients assuming the flow fields of neighboring particles can be linearly superposed. The PIEP method shows significant improvement on prediction for a few neighbored particles. In addition, the results reveal R2 scores of 0.56-0.62 and errors of 9.1-10.0 % for the dilute, polydispersed systems with a volume fraction of 0.5 %.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Beam Dump eXperiment

Hadronic matter makes about 14% of the known universe. The remaining 86% is Dark Matter (DM). Since it does not interact with the ordinary matter via electromagnetic force, DM is not visible and, to date, it escaped detection. The search for Dark Matter (DM) is one of the hottest topic in modern physics. Despite the increasing number of astrophysical and cosmological observations proving the existence, so far no particle physics experiment has detected DM yet. Up to now, most of the experimental efforts have been focused on the so called WIMP (Weakly Interacting Massive Particle) paradigm, which predicts heavy DM (10 GeV-10 TeV mass range) interacting with Standard Model (SM) particles via the weak force mediators (W or Z bosons). More recently, due to the lack of clear evidence of WIMPs, other models of DM gained the interest of the physics community. These models consider Light DM particles (LDM), in MeV-GeV mass range. Among LDM theories, the Dark Photon theory predicts the existence of a Dark Sector interacting with SM particles via a new massive vector boson (Dark Photon, Heavy Photon or A0), mediator of a new force. This scenario, despite being theoretically well motivated, is remarkably experimentally unexplored. The Beam Dump eXperiment (BDX), is an approved experiment at Jefferson Lab (JLab), aiming to discover the DM predicted witihn the Dark Photon theory. The experiment uses the CEBAF (Continuous Electron Beam Accelerator Facility) 11 GeV electron beam, impinging on the JLab Hall-A beam-dump, to produce a beam of DM particles, detected by a ~ 1 m3 detector made of thallium doped cesium iodide (CsI(Tl)) crystals located ~ 20 m downstream. In order to achieve excellent background rejection, the experimental setup includes active vetos and passive shielding surrounding CsI(Tl) crystals. Given the weakness of the DM-SM interaction, the scattering of a DM particle in the BDX detector is a rare event. Therefore, the characterization of the expected background is a critical aspect of the experiment. Both cosmogenic and penetrating SM particles produced by the beam interaction in the dump contribute to the background of the experiment. While the cosmogenic contribution can be measured during the experiment when the beam is off, beam-related background can only be estimated via Monte Carlo (MC) simulations. Therefore, a careful assessment of possible systematics introduced by the MC is needed. The beam-correlated background characterization was made by measuring the muon flux produced by the interaction of the CEBAF beam with Hall-A dump in a dedicated experimental campaign in spring 2018 [1]. The comparison to the ?ux predicted by MC allowed us to validate the BDX simulation framework. The reach of BDX, i.e. the region that the experiment can probe in the LDM theory parameter space, depends critically on the background rejection capability and signal detection effciency. For this reason, the detector setup was fine-tuned through a dedicated study. The response to LDM and background events was evaluated for different setups and selection cuts. As a result of this procedure, the configuration resulting in the best sensitivity was selected [2]. The reach calculation was performed taking into account the different LDM production mechanisms, including the contribution of secondary particles produced in the beam-dump. In particular, the effect of the secondary positrons annihilation was found to be extremely significant. In the majority of the sensitivity studies, this contribution is neglected, but recent results [3] [4] demonstrated that this process significantly enhances the sensitivity of lepton beam-dump experiments. Currently, the BDX collaboration is focused on the deployment and operation of a small detector, called BDX-MINI, built to perform a preliminary physics measurement searching for LDM at JLab. This test will pave the way to the realization of the full BDX experiment. The measurement is currently ongoing but results are expected by the end of this year. During my PhD I was involved in all aspects of the BDX experiment: design, simulation, prototyping and data analysis. The main results of my work are reported in this thesis. This manuscript is organized as follows: the first Chapter provides an introduction to the theory of LDM, with particular attention to the Dark Photon paradigm; the second Chapter illustrates the BDX experimental setup, the LDM production and detection mechanisms and the expected backgrounds; Chapter 3 and 4 describe, respectively, the BDX-HODO measurement, with a detailed description of the simulations, and the BDX experimental setup and analysis cuts optimization. Chapter 5 reports about BDXMINI detector characterization, calibration and sensitivity estimate. Finally, Chapter 6 describes in detail the calculation of the secondary positron annihilation contribution to the sensitivity of BDX and other electron-beam thick-target experiment.

Marsicano, Luca↗

Non-potential Field Formation in the X-shaped Quadrupole Magnetic Field Configuration

Some types of solar flares are observed in X-shaped quadrupolar field configuration. To understand the magnetic energy storage in such a region, we studied non-potential field formation in an X-shaped quadrupolar field region formed in the active region NOAA 11967, which produced three X-shaped M-class flares on 2014 February 2. Nonlinear force-free field modeling was applied to a time series of vector magnetic field maps from the Solar Optical Telescope on board Hinode and the Helioseismic and Magnetic Imager on board the Solar Dynamics Observatory . Our analysis of the temporal three-dimensional magnetic field evolution shows that the sufficient free energy had already been stored more than 10 hr before the occurrence of the first M-class flare and that the storage was observed in a localized region. In this localized region, quasi-separatrix layers (QSLs) started to develop gradually from 9 hr before the first M-class flare. One of the flare ribbons that appeared in the first M-class flare was co-spatial with the location of the QSLs, suggesting that the formation of the QSLs is important in the process of energy release. These QSLs do not appear in the potential field calculation, indicating that they were created by the non-potential field. The formation of the QSLs was associated with the transverse photospheric motion of the pre-emerged flux and the emergence of a new flux. This observation indicates that the occurrence of the flares requires the formation of QSLs in the non-potential field in which free magnetic energy is stored in advance.

79 ASTRONOMY AND ASTROPHYSICS↗

A calibration method for overconstrained spatial translational parallel manipulators

A calibration method for overconstrained spatial translational parallel mechanisms is proposed. The calibration of a Tri-pyramid overconstrained parallel robot is used as a vehicle to demonstrate the methodology and verify its feasibility. The proposed methodology consists of transforming the overconstrained mechanism of the robot into a non-overconstrained mechanism by replacing its redundant constraints with generalized forces (couples). The kinematic model of the non-overconstrained mechanism is derived using vector loops while its mechanical model is established by the energy method. An integrated kinematic model of the original overconstrained parallel robot is subsequently established by expressing the actual position of the end effector as the sum of the position derived by the kinematic model of the non-overconstrained mechanism and of the force-induced deformations at the end effector derived from the mechanical model. To assess the feasibility and the attainable improvements in accuracy through calibration, the positions of the end effector of the Tri-pyramid robot were measured by a method that uses a Double Ball Bar (DBB) and a 3-axes linear stage with micrometers. Based on the integrated kinematic model of the robot and the measured data, its structural parameters were identified by the Newton–Raphson iteration and least squares methods to complete the calibration. The calibration result shows that accuracy improvements on the order of 90% are achievable.

42 ENGINEERING↗

Time-Dependent Complete Active Space Embedded in Polarizable Force Field

Electron correlation and environmental effects play important roles in electron dynamics and spectroscopic observables of chemical systems in condensed phase. In this paper, we present a time-dependent complete active space configuration interaction (TD-CASCI) approach embedded in a polaraizable force filed, MMPol. The present implementation of TD-CASCI/MMPol utilizes a direct matrix-vector contraction, allowing studies of large systems. This scheme is used to study the solvatochromic shift of coumarin 153 in methanol. The TD-CASCI/MMPol approach captures the double excitation character in the excited state wave function and accurately predicts the solvatochromic red-shift of coumarin 153 dye within the experimental range, outperforming linear response time-dependent density functional theory. The effect of using different reference orbitals for the TD-CASCI/MMPol simulation is also investigated, highlighting the need for an unbiased treatment of all electronic states in the energy range of interest.

Liu, Hongbin↗

Exciting DeePMD: Learning excited-state energies, forces, and non-adiabatic couplings

We extend the DeePMD neural network architecture to predict electronic structure properties necessary to perform non-adiabatic dynamics simulations. While learning the excited state energies and forces follows a straightforward extension of the DeePMD approach for ground-state energies and forces, how to learn the map between the non-adiabatic coupling vectors (NACV) and the local chemical environment descriptors of DeePMD is less trivial. Most implementations of machine-learning-based non-adiabatic dynamics inherently approximate the NACVs, with an underlying assumption that the energy-difference-scaled NACVs are conservative fields. We overcome this approximation, implementing the method recently introduced by Richardson [J. Chem. Phys. 158, 011102 (2023)], which learns the symmetric dyad of the energy-difference-scaled NACV. Furthermore, the efficiency and accuracy of our neural network architecture are demonstrated through the example of the methaniminium cation CH 2 NH 2 + .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Implementation and Verification of Cable Bending Stiffness in MoorDyn

The relatively large motions experienced by floating wind turbines and wave energy converters pose a challenge for power cables, whose internal components provide significant bending resistance and are sensitive to deformation. The behavior and associated design considerations of power cables in these highly dynamic applications make coupled analysis relevant for design. Bending stiffness capabilities have recently been added to the lumped-mass mooring dynamics model MoorDyn to enable simulation of dynamic power cables. MoorDyn is a common modeling choice for floating wind energy simulation (often coupled with OpenFAST) and floating wave energy converter simulation (often coupled with WEC-Sim) but the model’s previous line elasticity formulation only considered axial stiffness. To properly capture the dynamics of power cables, a bending stiffness model has been added that approximates cable curvature based on the difference in tangent vectors of adjacent elements. The resulting bending moment is realized by applying forces on adjacent nodes, enabling cable modeling while leaving the underlying lumped-mass formulation unchanged. In this paper, the new bending stiffness implementation is verified in static conditions against analytical solutions and then in a dynamic power cable scenario in comparison with the commercial simulator OrcaFlex. The dynamic scenario uses prescribed motions and includes wave loadings on the cable. Results indicate correct implementation of bending stiffness and show close agreement with OrcaFlex.

50 EE - Wind and Water Power Program - Water (EE-4↗

Dark matter relic density in strongly interacting dark sectors with light vector mesons

Stable dark matter particles may arise as pseudo-Goldstone bosons from the confinement of dark quarks interacting via a non-Abelian gauge force. Their relic abundance is determined not by annihilations into visible particles but by dark pion number-changing processes within the dark sector, such as 3 π D → 2 π D . However, if the dark vector mesons ρ D are light enough for 3 π D → π D ρ D annihilations to be kinematically allowed, this process dominates and significantly delays freeze-out. As a result, the preferred dark matter mass scale increases and bounds from the Bullet Cluster can be evaded. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

TEMPORAL AND SPATIAL RELATIONSHIP OF FLARE SIGNATURES AND THE FORCE-FREE CORONAL MAGNETIC FIELD

We investigate the plasma and magnetic environment of active region NOAA 11261 on 2011 August 2 around a GOES M1.4 flare/CME (SOL2011-08-02T06:19). We compare coronal emission at the (extreme) ultraviolet and X-ray wavelengths, using SDO AIA and RHESSI images, in order to identify the relative timing and locations of reconnection-related sources. We trace flare ribbon signatures at ultraviolet wavelengths in order to pin down the intersection of previously reconnected flaring loops in the lower solar atmosphere. These locations are used to calculate field lines from three-dimensional (3D) nonlinear force-free magnetic field models, established on the basis of SDO HMI photospheric vector magnetic field maps. Using this procedure, we analyze the quasi-static time evolution of the coronal model magnetic field previously involved in magnetic reconnection. This allows us, for the first time, to estimate the elevation speed of the current sheet’s lower tip during an on-disk observed flare as a few kilometers per second. A comparison to post-flare loops observed later above the limb in STEREO EUVI images supports this velocity estimate. Furthermore, we provide evidence for an implosion of parts of the flaring coronal model magnetic field, and identify the corresponding coronal sub-volumes associated with the loss of magnetic energy. Finally, we spatially relate the build up of magnetic energy in the 3D models to highly sheared fields, established due to the dynamic relative motions of polarity patches within the active region.

79 ASTRONOMY AND ASTROPHYSICS↗

Wave forecast and its application to the optimal control of offshore floating wind turbine for load mitigation

Control algorithms play an important role in energy capture and load mitigation for offshore floating wind turbines (OFWTs). One of the advanced and effective control techniques is the feedforward or model predictive control approach, which requires the forecast of incoming environment conditions. For OFWTs, wave loading is one of the dominant sources to excite structural responses. This study is thus motivated to develop forecasting algorithms for wave elevations and wave excitation forces with the purpose of applying feedforward controllers on OFWTs. Two forecasting algorithms, the approximate Prony Method based on ESPRIT (Estimation of Signal Parameters via Rotational Invariance Techniques) and SVM (Support Vector Machine) regression, are developed and validated using wave records from tank tests. Utilizing the forecasted wave elevations and wave excitation forces, a feedforward LQR controller is designed to mitigate structural loads of an OFWT system.

17 WIND ENERGY↗

Code modernization strategies for short-range non-bonded molecular dynamics simulations

Modern HPC systems are increasingly relying on greater core counts and wider vector registers. Thus, applications need to be adapted to fully utilize these hardware capabilities. One class of applications that can benefit from this increase in parallelism are molecular dynamics simulations. In this paper, we describe our efforts at modernizing the ESPResSo++ simulation package for molecular dynamics by restructuring its particle data layout for efficient memory accesses and applying vectorization techniques to benefit the calculation of short-range non-bonded forces, which results in an overall three times speedup and serves as a baseline for further optimizations. We also implement fine-grained parallelism for multi-core CPUs through HPX, a C++ runtime system which uses lightweight threads and an asynchronous many-task approach to maximize concurrency. Our goal is to evaluate the performance of an HPX-based approach compared to the bulk-synchronous MPI-based implementation. This requires the introduction of an additional layer to the domain decomposition scheme that defines the task granularity. On spatially inhomogeneous systems, which impose a corresponding load-imbalance in traditional MPI-based approaches, we demonstrate that by choosing an optimal task size, the efficient work-stealing mechanisms of HPX can overcome the overhead of communication resulting in an overall 1.4 times speedup compared to the baseline MPI version.

97 MATHEMATICS AND COMPUTING↗

Silver nanoparticles on nanopatterned LiF(110) surface studied by extreme ultraviolet light scattering

A LiF(110) surface featuring a ridge-and-valley nanopatterned structure periodic along the [−1,1,0] direction (period and height of the order of 30 nm and 10 nm, respectively) formed by [001] macrosteps exposing (100) and (010) facets was functionalized by rows of Ag nanoparticles and studied by elastic light scattering in the energy range 50–100 eV. Families of diffraction efficiencies curves were taken at grazing incidence angle and fixed photon energy as a function of scattering angle, and elastic scattering curves were taken at fixed scattering angle as a function of energy. The scattering curves presented well-defined features ascribable to the periodicities of the surface, or equivalently to the reciprocal q{sub X} vectors correlated with the power spectral density features of topological images of atomic force microscopy. Other characteristics of the functionalized surface, including the height of ridge-valley profile, the Ag nanoparticle dimensions, and the material distribution in the scattering plane, were obtained by fitting the experimental zero and first order efficiency curves to simulation results of a parameterized model. The simulations were carried out adapting an in-house code based on the electromagnetic differential method, and the different material properties were taken into account by a space dependent complex dielectric constant. Information along the direction perpendicular to the scattering plane was not accessible but morphological insights were obtained combining light diffraction with atomic force microscopy. The results indicate nanoparticles with a quasi-ellipsoidal shape prolate along the ridge direction with minor and major axes of ∼12 nm and ∼21 nm, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗