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At least 127 records · Page 7

Fast Multipole Methods for Three-Dimensional N-body Problems

We are developing computational tools for the simulations of three-dimensional flows past bodies undergoing arbitrary motions. High resolution viscous vortex methods have been developed that allow for extended simulations of two-dimensional configurations such as vortex generators. Our objective is to extend this methodology to three dimensions and develop a robust computational scheme for the simulation of such flows. A fundamental issue in the use of vortex methods is the ability of employing efficiently large numbers of computational elements to resolve the large range of scales that exist in complex flows. The traditional cost of the method scales as Omicron (N(sup 2)) as the N computational elements/particles induce velocities at each other, making the method unacceptable for simulations involving more than a few tens of thousands of particles. In the last decade fast methods have been developed that have operation counts of Omicron (N log N) or Omicron (N) (referred to as BH and GR respectively) depending on the details of the algorithm. These methods are based on the observation that the effect of a cluster of particles at a certain distance may be approximated by a finite series expansion. In order to exploit this observation we need to decompose the element population spatially into clusters of particles and build a hierarchy of clusters (a tree data structure) - smaller neighboring clusters combine to form a cluster of the next size up in the hierarchy and so on. This hierarchy of clusters allows one to determine efficiently when the approximation is valid. This algorithm is an N-body solver that appears in many fields of engineering and science. Some examples of its diverse use are in astrophysics, molecular dynamics, micro-magnetics, boundary element simulations of electromagnetic problems, and computer animation. More recently these N-body solvers have been implemented and applied in simulations involving vortex methods. Koumoutsakos and Leonard (1995) implemented the GR scheme in two dimensions for vector computer architectures allowing for simulations of bluff body flows using millions of particles. Winckelmans presented three-dimensional, viscous simulations of interacting vortex rings, using vortons and an implementation of a BH scheme for parallel computer architectures. Bhatt presented a vortex filament method to perform inviscid vortex ring interactions, with an alternative implementation of a BH scheme for a Connection Machine parallel computer architecture.

Koumoutsakos, P.↗

The small-scale clustering properties of dwarf galaxies

Two results on the small-scale clustering properties of dwarf galaxies are reported, which were identified in the vicinity of early-type Shapley-Ames galaxies on high-resolution photographic plates. The first result indicates that dwarf galaxies display the same trend of stronger clustering toward earlier morphological type on small scales as their giant counterparts on larger scales. It is suggested that early-type dwarfs can be used as dynamical probes of dark halos around early-type giant galaxies and as tracers of the dynamical evolution of such halos in dense environments. The second result pertains to the trend of increasing early-type dwarf frequency per early-type giant with environment richness previously established for rich groups. It is found that a minimum value of isolated early-type galaxies is approximately 0.25, as compared to a maximum of approximately 8 in rich environments like the Virgo Cluster.

Vader, J. P.↗

Critical magnetic Reynolds number of the turbulent dynamo in collisionless plasmas

The intracluster medium of galaxy clusters is an extremely hot and diffuse, nearly collisionless plasma, which hosts dynamically important magnetic fields of ~μG strength. Seed magnetic fields of much weaker strength of astrophysical or primordial origin can be present in the intracluster medium. In collisional plasmas, which can be approximated in the magnetohydrodynamical (MHD) limit, the turbulent dynamo mechanism can amplify weak seed fields to strong dynamical levels efficiently by converting turbulent kinetic energy into magnetic energy. However, the viability of this mechanism in weakly collisional or completely collisionless plasma is much less understood. In this study, we explore the properties of the collisionless turbulent dynamo using three-dimensional hybrid-kinetic particle-in-cell simulations. We explore the properties of the collisionless turbulent dynamo in the kinematic regime for different values of the magnetic Reynolds number, Rm, initial magnetic-to-kinetic energy ratio, (E mag /E kin ) i , and initial Larmor ratio, (r Larmor /L box ) i , i.e. the ratio of the Larmor radius to the size of the turbulent system. We find that in the ‘un-magnetized’ regime, (r Larmor /L box ) i > 1, the critical magnetic Reynolds number for the dynamo action Rm crit ≈ 107 ± 3. In the ‘magnetized’ regime, (r Larmor /L box ) i ≲ 1, we find a marginally higher Rm crit = 124 ± 8. We find that the growth rate of the magnetic energy does not depend on the strength of the seed magnetic field when the initial magnetization is fixed. We also study the distribution and evolution of the pressure anisotropy in the collisionless plasma and compare our results with the MHD turbulent dynamo.

79 ASTRONOMY AND ASTROPHYSICS↗

Energy benchmarks for methane-water systems from quantum Monte Carlo and second-order Møller-Plesset calculations

The quantum Monte Carlo (QMC) technique is used to generate accurate energy benchmarks for methane-water clusters containing a single methane monomer and up to 20 water monomers. The benchmarks for each type of cluster are computed for a set of geometries drawn from molecular dynamics simulations. The accuracy of QMC is expected to be comparable with that of coupled-cluster calculations, and this is confirmed by comparisons for the CH{sub 4}-H{sub 2}O dimer. The benchmarks are used to assess the accuracy of the second-order Møller-Plesset (MP2) approximation close to the complete basis-set limit. A recently developed embedded many-body technique is shown to give an efficient procedure for computing basis-set converged MP2 energies for the large clusters. It is found that MP2 values for the methane binding energies and the cohesive energies of the water clusters without methane are in close agreement with the QMC benchmarks, but the agreement is aided by partial cancelation between 2-body and beyond-2-body errors of MP2. The embedding approach allows MP2 to be applied without loss of accuracy to the methane hydrate crystal, and it is shown that the resulting methane binding energy and the cohesive energy of the water lattice agree almost exactly with recently reported QMC values.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Temporal feedback control of high-intensity laser pulses to optimize ultrafast heating of atomic clusters

We describe how active feedback routines can be applied at a limited repetition rate (5 Hz) to optimize high-power (>10 TW) laser interactions with clustered gases. Optimization of x-ray production from an argon cluster jet, using a genetic algorithm, approximately doubled the measured energy through temporal modification of the 150 mJ driving laser pulse. This method achieved an increased radiation yield through exploration of a multi-dimensional parameter space, without requiring detailed a priori knowledge of the complex cluster dynamics. The optimized laser pulses exhibited a slow rising edge to the intensity profile, which enhanced the laser energy coupling into the cluster medium, compared to the optimally compressed FWHM pulse (40 fs). This report suggests that this technique can be more widely utilized for control of intense pulsed secondary radiation from petawatt-class laser systems.

74 ATOMIC AND MOLECULAR PHYSICS↗

Performance of wave function and Green's function methods for non-equilibrium many-body dynamics

Theoretical descriptions of the non-equilibrium dynamics of quantum many-body systems essentially employ either (i) explicit treatments, relying on the truncation of the expansion of the many-body wave function, (ii) compressed representations of the many-body wave function, or (iii) evolution of an effective (downfolded) representation through Green's functions. In this work, we select representative cases of each of the methods and address how these complementary approaches capture the dynamics driven by intense field perturbations to non-equilibrium states. Under strong driving, the systems are characterized by strong entanglement of the single-particle density matrix and natural populations approaching those of a strongly interacting equilibrium system. We generate a representative set of results that are numerically exact and form a basis for a critical comparison of the distinct families of methods. We demonstrate that the compressed formulation based on similarity-transformed Hamiltonians (coupled-cluster approach) is practically exact in weak fields and, hence, weakly or moderately correlated systems. Coupled cluster, however, struggles for strong driving fields, under which the system exhibits strongly correlated behavior, as measured by the von Neumann entropy of the single-particle density matrix. The dynamics predicted by Green's functions in the (widely popular) G W approximation are less accurate, but improve significantly upon the mean-field results in the strongly driven regime. Published by the American Physical Society 2025

Reeves, Cian C. (ORCID:0009000642581845)↗

Multiple X Line Reconnection in the Near Earth Magnetotail: Cluster Multipoint Plasma and Field Observations

Eastwood et al. [2004, manuscript submitted to CRL], have recently reported observations of multiple X line reconnection proceeding in the near Earth (approximately 18Re) magnetotail, leading to the formation and growth of an Earthward moving flux rope. Here we present the associated ion and electron measurements that indicate significant structuring to the magnetic field; in particular, an absence of counterstreaming electrons in the center of the flux rope. The observations, made on October 2, 2003, are put into a wider context by examining the surrounding plasma conditions, which indicate that after the event, the plasma sheet was highly dynamic. We also consider how common these observations are in the Cluster dataset, and discuss the implications for previous single spacecraft studies.

Eastwood, J. P.↗

Scaling laws and stability of nano-sized defect clusters in niobium via atomistic simulations and statistical analysis

The predictions of scaling laws for the structure and properties of defect clusters are generally limited to small defect clusters in their ground-state configurations. We investigated the size and geometrical configuration dependence of nano-sized defect clusters in niobium (Nb) using molecular dynamics. We studied the structure and stability of large clusters of size up to fifty defects for vacancies and one hundred defects for interstitials, as well as the role of helium and metastable configurations on the stability of these clusters. We compared three different interatomic potentials in order to determine the relative stability of these clusters as a function of their size and geometrical configurations. Additionally, we conducted a statistical analysis to predict the formation and binding energies of interstitial clusters as a function of both their size and configuration. We find that the size dependence of vacancy and interstitial clusters can be approximated by functional forms that account for bulk and surface effects as well as some considerations of elastic interactions. We also find that helium and metastable configurations can make vacancy and interstitial clusters thermally stable depending on the configuration. Our parameterized functional forms for the formation and binding energies are valid for a very broad range of defect sizes and configurations making it possible to be used directly in a coarse-grained modeling strategy such as Monte Carlo, cluster dynamics or dislocation dynamics which look at defect accumulation and evolution in microstructures.

36 MATERIALS SCIENCE↗

Cluster observations of quasi-periodic impulsive signatures in the dayside northern lobe: High-latitude flux transfer events?

We report on a series of quasi-periodic reversals in GSM B(sub Z) observed by the four Cluster spacecraft in the northern dayside lobe poleward of the cusp on 23 February 2001. During an interval of about 35 min, multiple reversals (negative to positive) in B(sub Z) of approximately 1-min duration with an approximate 8-min recurrence time were observed. The individual structures do not resemble low-latitude flux transfer events (FTE) [Russell and Elphic, 1979] but the 8-min recurrence frequency suggests that intermittent reconnection may be occurring .Measurements (appropriately lagged) of the solar wind at ACE show that the IMF was southward-oriented with a strong B(sub X) and that a modest dynamic pressure increased as the events started. The multi-point observations afforded by the Cluster spacecraft were used to infer the motion (direction and speed) of the observed magnetic field reversals. The associated currents were also calculated and they are consistent with the spatial confinement of the observed magnetic field reversals. We propose that the observed reversals are due to flux tubes reconnecting with closed field lines on the dayside. Ancillary data from the Cluster Ion Spectrometry (CIS) and Plasma Electron And Current Experiment (PEACE) instruments were used to develop a physical picture of the reversals.

Thompson, S. M.↗

Solar Dynamic Power System Fault Diagnosis

The objective of this research is to conduct various fault simulation studies for diagnosing the type and location of faults in the power distribution system. Different types of faults are simulated at different locations within the distribution system and the faulted waveforms are monitored at measurable nodes such as at the output of the DDCU's. These fault signatures are processed using feature extractors such as FFT and wavelet transforms. The extracted features are fed to a clustering based neural network for training and subsequent testing using previously unseen data. Different load models consisting of constant impedance and constant power are used for the loads. Open circuit faults and short circuit faults are studied. It is concluded from present studies that using features extracted from wavelet transforms give better success rates during ANN testing. The trained ANN's are capable of diagnosing fault types and approximate locations in the solar dynamic power distribution system.

Momoh, James A.↗

Binary-binary interactions and the formation of the PSR B1620-26 triple system in M4

The hierarchical triple system containing the millisecond pulsar PSR B1620-26 in M4 is the first star system ever detected in a globular cluster. Such systems should form in globular clusters as a result of dynamical interactions between binaries. We propose that the triple system containing PSR B1620-26 formed through an exchange interaction between a wide primordial binary and a pre-existing binary millisecond pulsar. This scenario would have the advantage of reconciling the approximately 10(exp 9) yr timing age of the pulsar with the much shorter lifetime of the triple system in the core of M4.

Rasio, Frederic A.↗

Kilometer-Scale Hydrologic Exchange Flows in a Gravel Bed River Corridor and Their Implications to Solute Migration

In this work, a well-characterized field site along a major river corridor was used to investigate the dynamic pathways and impacts of subsurface hydrogeologic structures on kilometer-scale hydrologic exchange flows between river water and groundwater. A aqueous uranium (U aq ) plume exists at the site that discharges to the Columbia River. We performed temporally intensive monitoring of specific conductance (SpC) and U aq concentrations within the plume at increasing distances from the river shoreline and at locations both within and outside a presumed subsurface pathway of lateral hydrologic exchange. Specific conductance and U aq were utilized as in-situ tracers of hydrologic exchange and associated groundwater-surface water mixing. Monitoring data was collected for an approximate two year period during which seasonal river elevations varied by more than 2 m causing distinct events of river water intrusion and retreat from the near-shore aquifer, and large temporal variations in well-water analyte concentrations. Statistical clustering analysis was applied to identify well groupings exhibiting common time series behaviors. PFLOTRAN was implemented within a modeling domain of 3.3 x 1.9 km with dynamic flow boundary conditions and accurate subsurface topography for the basal aquitard underlying the aquifer. In-silico calculations of river water tracer behavior were performed to assess predominant flow directions and velocities influenced by river stage variations and variable aquitard topography, and their collective influences on SpC and U aq concentrations. We demonstrate complicated multidirectional flow behaviors at the kilometer scale resulting from hydrologic exchange and subsurface structure that influence plume dynamics and determine the overall system behavior.

54 ENVIRONMENTAL SCIENCES↗

Nonadiabtic electron dynamics in densely quasidegenerate states in highly excited boron cluster

Following the previous study on nonadiabatic reaction dynamics including boron clusters [T. Yonehara and K. Takatsuka, J. Chem. Phys. 137, 22A520 (2012)], we explore deep into highly excited electronic states of the singlet boron cluster (B{sub 12}) to find the characteristic features of the densely quasi-degenerate electronic state manifold, which undergo very frequent nonadiabatic transitions and thereby intensive electronic state mixing among very many of the relevant states. So much so, isolating the individual adiabatic states and tracking the expected potential energy surfaces both lose the physical sense. This domain of molecular situation is far beyond the realm of the Born-Oppenheimer approximation. To survey such a violent electronic state-mixing, we apply a method of nonadiabatic electron wavepacket dynamics, the semiclassical Ehrenfest method. We have tracked those electron wavepackets and found the electronic state mixing looks like an ultrafast diffusion in the Hilbert space, which results in huge fluctuation. Furthermore, due to such a violent mixing, the quantum phases associated with the electronic states are swiftly randomized, and consequently the coherence among the electronic states are lost quickly. Besides, these highly excited states are mostly of highly poly-radical nature, even in the spin singlet manifold and the number of radicals amounts up to 10 electrons in the sense of unpaired electrons. Thus the electronic states are summarized to be poly-radical and decoherent with huge fluctuation in shorter time scales of vibrational motions. The present numerical study sets a theoretical foundation for unknown molecular properties and chemical reactivity of such densely quasi-degenerate chemical species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The stellar population in the core of M15

The inner core of the globular cluster M15 within approximately 2 sec of the geometrical center has been explored with high-resolution images taken through several broad-band UV filter with the Faint Object Camera (FOC) on board the Hubble Space Telescope (HST). Approximately 210 stars in this region down to a 5 sigma detection limit of m(sub 220) = 21.5 were reliably identified and located on a UV - U color magnitude diagram for the first time. A majority of stars (about 70% of the total) observed this way lie above the expected main-sequence turn-off of this cluster and below the sparsely populated horizontal branch. The extension of the main sequence above the turn-off separates this population in two roughly equal components situated to the right and left of this line. Most of the former must be classical blue stragglers while the rest belong to a new, as yet unidentified, population of very blue stars. Possibilities include, but are not restricted to, well-mixed single stars, subdwarfs, and helium white dwarfs. Similar objects are also found just outside the core out to approximately 6 sec from the center, but the brighter, presumably more massive ones, are sharply confined to the core itself. The measured excess of bright blue stars and the relative deficiency of bright red giants in the core are consistent with the blue inward color gradient measured from the ground and imply that dynamical evolution can significantly affect the stellar population in the very dense central regions of a high-concentration globular cluster like M15.

De Marchi, Guido↗

Correlations from Ion Pairing and the Nernst-Einstein Equation

In this work, we present a new approximation to ionic conductivity well suited to dynamical atomic-scale simulations, based on the Nernst-Einstein equation. In our approximation, ionic aggregates constitute the elementary charge carriers, and are considered as noninteracting species. This approach conveniently captures the dominant effect of ion-ion correlations on conductivity, short range interactions in the form of clustering. In addition to providing better estimates to the conductivity at a lower computational cost than exact approaches, this new method allows us to understand the physical mechanisms driving ion conduction in concentrated electrolytes. As an example, we consider Li + conduction in poly(ethylene oxide), a standard solid-state polymer electrolyte. Using our newly developed approach, we are able to reproduce recent experimental results reporting negative cation transference numbers at high salt concentrations, and to confirm that this effect can be caused by a large population of negatively charged clusters involving cations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Numerical simulation of star formation by the bow shock of the centaurus a jet

Recent Hubble Space Telescope (HST) observations of the extragalactic radio source Centaurus A (Cen A) display a young stellar population around the southwest tip of the inner filament 8.5 kpc from the galactic center of Cen A, with ages in the range 1–3 Myr. Crockett et al. have argued that the transverse bow shock of the Cen A jet triggered this star formation as it impacted dense molecular cores of clouds in the filament. To test this hypothesis, we perform three-dimensional numerical simulations of star formation induced by the jet bow shock in the inner filament of Cen A, using a positivity-preserving, weighted, essentially non-oscillatory method to solve the equations of gas dynamics with radiative cooling. We find that star clusters form inside a bow-shocked molecular cloud when the maximum initial density of the cloud is ⩾40 H{sub 2} molecules cm{sup −3}. In a typical molecular cloud of mass 10{sup 6} M{sub ⊙} and diameter 200 pc, approximately 20 star clusters of mass 10{sup 4} M{sub ⊙} are formed, matching the HST images.

79 ASTRONOMY AND ASTROPHYSICS↗

Machine Learning-Based Anomaly Detection for Load Forecasting Under Cyberattacks

Accurate load forecasting can create both economic and reliability benefits for power system operators. However, the cyberattack on load forecasting may mislead operators to make unsuitable operational decisions for the electricity delivery. To effectively and accurately detect these cyberattacks, this paper develops a machine learning-based anomaly detection (MLAD) methodology. First, load forecasts provided by neural networks are used to reconstruct the benchmark and scaling data by using the k-means clustering. Second, the cyberattack template is estimated by the naive Bayes classification based on the cumulative distribution function and statistical features of the scaling data. Finally, the dynamic programming is utilized to calculate both the occurrence and parameter of one cyberattack on load forecasting data. Here, a widely used symbolic aggregation approximation method is compared with the developed MLAD method. Numerical simulations on the publicly load data show that the MLAD method can effectively detect cyberattacks for load forecasting data with relatively high accuracy. Also, the robustness of MLAD is verified by thousands of attack scenarios based on Monte Carlo simulation.

97 MATHEMATICS AND COMPUTING↗

Relationship between Surface Self-Diffusion and Bubble Mobility in Solids: Theory and Atomistic Simulation

Diffusion processes in solids are characterized by complex mechanisms occurring at the atomistic level. The relevant theoretical concepts are sufficiently developed in the case of the diffusion of point defects. At the same time, the diffusion of objects such as clusters of vacancies or nanometer-size cavities in the crystal lattice is described only in terms of continuous-medium approximation. This paper attempts to link the existing theory of diffusion of bubbles in a crystalline matrix with the atomistic description of the process on the basis of the molecular dynamics method. For simplicity, the diffusion of cavities in a two-dimensional Lennard-Jones lattice is considered. A controlled molecular dynamics method is proposed to speed up the direct computation of the diffusion rate of bubbles. Based on the results of simulation, a practical interpretation is given to a parameter of the continuum theory such as the rate of surface self-diffusion. The applicability range of the continuum theory is demonstrated, and principles for the refinement of the theory in the case of minimum-size bubbles are formulated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗