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At least 163 records · Page 9

FPGA-accelerated SpeckleNN with SNL for real-time X-ray single-particle imaging

We present the implementation of a specialized version of our previously published unified embedding model, SpeckleNN, for real-time speckle pattern classification in X-ray Single-Particle Imaging (SPI), using the SLAC Neural Network Library (SNL) on an FPGA platform. This hardware realization transitions SpeckleNN from a prototypic model into a practical edge solution, optimized for running inference near the detector in high-throughput X-ray free-electron laser (XFEL) facilities, such as those found at the Linac Coherent Light Source (LCLS). To address the resource constraints inherent in FPGAs, we developed a more specialized version of SpeckleNN. The original model, which was designed for broader classification across multiple biological samples, comprised ~5.6 million parameters. The new implementation, while reducing the parameter count to 64.6K (a 98.8% reduction), focuses on maintaining the model's essential functionality for real-time operation, achieving an accuracy of 90%. Furthermore, we compressed the latent space from 128 to 50 dimensions. This implementation was demonstrated on the KCU1500 FPGA board, utilizing 71% of available DSPs, 75% of LUTs, and 48% of FFs, with an average power consumption of 9.4W according to the Vivado post-implementation report. The FPGA performed inference on a single image with a latency of 45.015 microseconds at a 200 MHz clock rate. In comparison, running the same inference on an NVIDIA A100 GPU resulted in an average power consumption of ~73W and an image processing latency of around 400 microseconds. Our FPGA-accelerated version of SpeckleNN demonstrated significant improvements, achieving an 8.9 × speedup and a 7.8 × reduction in power consumption compared to the GPU implementation. Key advancements include model specialization and dynamic weight loading through SNL, which eliminates the need for time-consuming FPGA design re-synthesis, allowing fast and continuous deployment of models (re)trained online. These innovations enable real-time adaptive classification and efficient vetoing of speckle patterns, making SpeckleNN more suited for deployment in XFEL facilities. This implementation has the potential to significantly accelerate SPI experiments and enhance adaptability to evolving experimental conditions.

47 OTHER INSTRUMENTATION↗

Direct measurement of ferroelectric polarization in a tunable semimetal

Abstract Ferroelectricity, the electrostatic counterpart to ferromagnetism, has long been thought to be incompatible with metallicity due to screening of electric dipoles and external electric fields by itinerant charges. Recent measurements, however, demonstrated signatures of ferroelectric switching in the electrical conductance of bilayers and trilayers of WTe 2 , a semimetallic transition metal dichalcogenide with broken inversion symmetry. An especially promising aspect of this system is that the density of electrons and holes can be continuously tuned by an external gate voltage. This degree of freedom enables measurement of the spontaneous polarization as free carriers are added to the system. Here we employ capacitive sensing in dual-gated mesoscopic devices of bilayer WTe 2 to directly measure the spontaneous polarization in the metallic state and quantify the effect of free carriers on the polarization in the conduction and valence bands, separately. We compare our results to a low-energy model for the electronic bands and identify the layer-polarized states that contribute to transport and polarization simultaneously. Bilayer WTe 2 is thus shown to be a fully tunable ferroelectric metal and an ideal platform for exploring polar ordering, ferroelectric transitions, and applications in the presence of free carriers.

36 MATERIALS SCIENCE↗

Femtosecond x-ray photon correlation spectroscopy enables direct observations of atomic-scale relaxations of glass forming liquids

Glass-forming liquids exhibit structural relaxation behaviors, reflecting underlying atomic rearrangements on a wide range of timescales and playing a crucial role in determining material properties. However, the relaxation processes on the atomic scale are not well-understood due to the experimental difficulties in directly characterizing the evolving correlations of atomic-scale order in disordered systems. Here, in this study, we harness the coherence and ultrashort pulse characteristics of an x-ray free electron laser to directly probe atomic-scale ultrafast relaxation dynamics in the model system Ge 15 Te 85 . We demonstrate an analysis strategy for determining the intermediate scattering function by extracting the contrast decay of summed scattering patterns from two rapidly successive, nearly identical femtosecond x-ray pulses generated by a split-delay system. The result indicates a full decorrelation of atomic-scale order on the sub-picosecond timescale, supporting the argument for a high-fluidity fragile state of liquid Ge 15 Te 85 above its dynamic crossover temperature. The demonstrated strategy opens an avenue for experimental studies of relaxation dynamics in liquids, glasses, and other highly disordered systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Sensitivity Limits of Space-Based Interferometric Gravitational Wave Observatories from the Solar Wind

Space-based interferometric gravitational wave instruments such as the ESA/NASA Laser Interferometer Space Antenna (LISA) observe gravitational waves by measuring changes in the light travel time between widely separated spacecraft. One potential noise source for these instruments is interaction with the solar wind, in particular the free electrons in the interplanetary plasma. Variations in the integrated column density of free electrons along the laser links will lead to time-of-flight delays which directly compete with signals produced by gravitational waves. In this paper we present a simplified model of the solar plasma relevant for this problem, anchor key parameters of our model using data from the NASA Wind/solar wind experiment instrument, and derive estimates for the effect in the LISA measurement. We find that under normal solar conditions, the gravitational wave sensitivity limit from the free-electron effect is smaller than other noise sources that are expected to limit LISA’s sensitivity.

Oliver Jennrich↗

Jacobian-free Newton–Krylov method for the simulation of non-thermal plasma discharges with high-order time integration and physics-based preconditioning

A preconditioning framework for the numerical simulation of non-thermal streamer discharges is developed using the Jacobian-free Newton-Krylov (JFNK) method. A reduced plasma fluid model is considered, consisting of electrons, one positive ion, one negative ion, and the electrostatic potential. Here, the plasma kinetics model includes ionization, electron-ion recombination, electron attachment, electron detachment, and ion-ion recombination. The governing equations are made dimensionless, discretized in space with finite differences, and integrated in time with a fully implicit method based on high-order backward differentiation formulas. The preconditioning framework is based on a linearized form of the governing equations and physics-based operator splitting. The efficiency of the preconditioning strategy is assessed through two test cases: streamer propagation between parallel plates and an axisymmetric pin-to-pin discharge. The fully implicit approach overcomes traditional restrictions in the time step size due to processes such as electron drift, electron diffusion, and dielectric relaxation. Excellent performance is observed through relevant statistics of the JFNK solver, although the number of linear iterations increases for the pin-to-pin discharge when nonlinear numerical boundary conditions are imposed at the electrodes. Performance studies show scalability with O(100-1000) processors for O(10M) unknowns with ample room for optimization.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A note on the Gledhill model of the magnetosphere of Jupiter

Free-free emission from a constant density, isothermal rectangular of thickness 2 Jupiter radii and side dimensions 2 x 8 radii is considered. It is determined that the free-free emission from the Gledhill model exceeds the flux measured from the planet over the entire microwave spectrum. Consequently the electron density must be considerably less than Gledhill assumed (10 to the 9th power electrons/cu cm). The upper limit to the electron density which can be set by comparing free-free emission with the observed spectrum is approximately 10 to the 7th power electrons/cu cm.

Gulkis, S.↗

On the magnetic mirroring as the basic cause of parallel electric fields

Among the different proposed mechanisms for generating parallel electric fields, magnetic mirroring of charged particles seems to be the most plausible. In the present paper, it is suggested that magnetic mirroring is the basic cause of parallel electric fields in the magnetosphere and that the magnetic mirroring effect may be able to form the basis of an auroral theory that can remove a major portion of the ambiguity of observations. In the model proposed, the parallel electric field is due to a magnetic confinement of a negatively charged hot collision-free plasma. A transfer of electron gyroenergy into wave energy tends to weaken this confinement; if this energy transfer becomes too strong, the parallel potential gradient will break down. Hence, from this model, in contrast to certain other models of parallel electric fields, only a small fraction of the total auroral particle energy may be expected to be transformed into electromagnetic wave energy during the acceleration process.

Lennartsson, W.↗

A theory of neutral gas emissions from a plasma contactor and its effect on electrodynamic tether performance

An existing anisotropic anodic plasma contactor model is extended to include neutral gas emissions. Within the framework of the contactor model, the inclusion of external ionization leads to an integrodifferential equation. By choosing the ratio of the contactor radius to the neutral gas-electron ionization mean free path at the contactor exit as a suitable expansion parameter, an analytical expression for the current-voltage characteristic can be found. The performance of this contactor model is examined via a dynamic simulation model developed for electrodynamic tethers. Detailed models of the geomagnetic field and the ionosphere are used to create a realistic environment. The highly nonlinear contactor voltagle-current characteristic is incorporated into a circuit equation, which includes radiation impedance, and is solved along the tether's orbit. Results show that it is more effective to fully ionize the contactor gas internally, than to partially ionize it externally, and that based on the specific power for the tether system, the optimum gas to use is argon. In addition, the effect of the radiation impedance on tether system performance is examined.

Roy, R. I. S.↗

Analytic Lyman-alpha wing diagnostics and the chromospheric excitation balance in cool dwarfs

I show that the Lyman alpha wings of cool dwarfs can be understood in terms of a very simple model, based on a simplified representation of the chromospheric hydrogen excitation balance and approximate analytic wing diagnostics in partial redistribution. Much of the complexity of the radiation transfer in the partially coherent and steeply temperature-sensitive Lyman alpha line is circumvented by this technique. The result is an expedient scheme for inverting the Lyman alpha wing profile to determine the characteristic free electron density and its gradient in the middle chromosphere. This represents an important new diagnostic for constraining chromospheric models and their radiative losses. I apply this diagnostic to the Lyman alpha wing profiles of the Sun and AU Mic and show that current instrumentation, most notably the Goddard High Resolution Spectrograph (GHRS) on the Hubble Space Telescope, is capable of providing the necessary data.

Gayley, K. G.↗

Mesoscopic finite-size effects of unconventional electron transport in PdCoO 2

A wide range of unconventional transport phenomena has recently been observed in single-crystal delafossite metals. Here, we present a theoretical framework to elucidate electron transport using a combination of first-principles calculations and numerical modeling of the anisotropic Boltzmann transport equation. Using PdCoO 2 as a model system, we study different microscopic electron and phonon scattering mechanisms and establish the mean free path hierarchy of quasiparticles at different temperatures. We treat the anisotropic Fermi surface explicitly to numerically obtain experimentally-accessible transport observables, which bridge between the “diffusive,” “ballistic,” and “hydrodynamic” transport regime limits. Further, we illustrate that the distinction between the “quasiballistic” and “quasihydrodynamic” regimes is challenging and often needs to be quantitative in nature. From first-principles calculations, we populate the resulting transport regime plots and demonstrate how the Fermi surface orientation adds complexity to the observed transport signatures in micrometer-scale devices. Our work provides key insights into microscopic interaction mechanisms on open hexagonal Fermi surfaces and establishes their connection to the macroscopic electron transport in finite-size channels.

36 MATERIALS SCIENCE↗

Coronal Magnetic Structures Observing Campaign. 3: Coronal plasma and magnetic field diagnostics derived from multiwaveband active region observations

Simultaneous soft X-ray, microwave, and photospheric magnetic field observations were taken during the Coronal Magnetic Structures Observing Campaign (CoMStOC '87). The plasma electron temperature and emission measures determined from the X-ray data are used to predict the free-free emission expected at 20 and 6 cm. Comparing these predictions with the microwave observations, it is found that the predicted 20 cm brightness temperatures are higher than the observed, requiring cool absorbing material between the hot X-ray plasma and the observer. The model that is most consistent with all the observations and minimizes the required coronal fields indicates that this 20 cm emission is either free-free or a combination of free-free and fourth harmonic cyclotron emanating from the X-ray plasma with an electron temperature of approximately 3.1 x 10(exp 6) K and an emission measure of approximately 1.3 x 10(exp 29)/cm(exp 5). The observed 20 cm polarization requires a field strength of greater than or equal to 150 G. In addition, the 6 cm emission is free-free, emanating from cooler plasma with an electron temperature of approximately 1.5 x 10(exp 6) K and an emission measure of approximately 3-6 x 10(exp 29)/cm(exp 5). This model is consistent with the rather unusual combination of high 20 cm and low 6 cm polarization as well as the low extrapolated coronal fields.

Schmelz, J. T.↗

The structure and electronic properties of tetrahedrally bonded hydrogenated amorphous carbon

In this work, we have synthesized hydrogenated and deuterated amorphous carbon materials that have a density, 2.7 ± 0.1 g/cm 3 , consistent with almost entirely tetrahedral bonding. In hydrogen-free tetrahedral amorphous carbon, the presence of a minority of sp2 bonded atoms leads to localized states that could be passivated with hydrogen by analogy with hydrogenated amorphous silicon. Neutron diffraction analysis demonstrated that the local bonding environment is consistent with ab initio models of high density hydrogenated tetrahedral amorphous carbon and with the related tetrahedral molecular structure neopentane. The optical bandgap of our material, 4.5 eV, is close to the bandgap in the density of states determined by scanning tunneling spectroscopy (4.3 eV). This bandgap is considerably larger than that of hydrogen-free tetrahedral amorphous carbon, confirming that passivation of sp 2 associated tail-states has occurred. Both the structural and electronic measurements are consistent with a model in which the tetrahedrally bonded carbon regions are terminated by hydrogen, causing hopping conductivity to dominate.

36 MATERIALS SCIENCE↗

Theoretical Modeling of Electrochemical Proton-Coupled Electron Transfer

Proton-coupled electron transfer (PCET) plays an essential role in a wide range of electrocatalytic processes. Here, a vast array of theoretical and computational methods have been developed to study electrochemical PCET. These methods can be used to calculate redox potentials and pKa values for molecular electrocatalysts, proton-coupled redox potentials and bond dissociation free energies for PCET at metal and semiconductor interfaces, and reorganization energies associated with electrochemical PCET. Periodic density functional theory can also be used to compute PCET activation energies and perform molecular dynamics simulations of electrochemical interfaces. Various approaches for maintaining a constant electrode potential in electronic structure calculations and modeling complex interactions in the electric double layer (EDL) have been developed. Theoretical formulations for both homogeneous and heterogeneous electrochemical PCET spanning the adiabatic, nonadiabatic, and solvent-controlled regimes have been developed and provide analytical expressions for the rate constants and current densities as functions of applied potential. The quantum mechanical treatment of the proton and inclusion of excited vibronic states have been shown to be critical for describing experimental data, such as Tafel slopes and potential dependent kinetic isotope effects. The calculated rate constants can be used as input to microkinetic models and voltammogram simulations to elucidate complex electrocatalytic processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Isotope effects in dynamics of water isotopologues induced by core ionization at an x-ray free-electron laser

Dynamical response of water exposed to x-rays is of utmost importance in a wealth of science areas. We exposed isolated water isotopologues to short x-ray pulses from a free-electron laser and detected momenta of all produced ions in coincidence. By combining experimental results and theoretical modeling, we identify significant structural dynamics with characteristic isotope effects in H 2 O 2+ , D 2 O 2+ , and HDO 2+ , such as asymmetric bond elongation and bond-angle opening, leading to two-body or three-body fragmentation on a timescale of a few femtoseconds. A method to disentangle the sequences of events taking place upon the consecutive absorption of two x-ray photons is described. The obtained deep look into structural properties and dynamics of dissociating water isotopologues provides essential insights into the underlying mechanisms.

47 OTHER INSTRUMENTATION↗

A flexible data acquisition system architecture for the Nab experiment

Here, the Nab experiment will measure the electron–neutrino correlation and Fierz interference term in free neutron beta decay to test the Standard Model and probe Beyond the Standard Model physics. Using National Instrument’s PXIe-5171 Reconfigurable Oscilloscope module, we have developed a data acquisition system that is not only capable of meeting Nab’s specifications, but flexible enough to be adapted in situ as the experimental environment dictates. The L1 and L2 trigger logic can be reconfigured to optimize the system for coincidence event detection at runtime through configuration files and LabVIEW controls. This system is capable of identifying L1 triggers at a rate of at least 1 MHz, while reading out a peak signal rate of approximately 2 GB/s. During the commissioning phase of the experiment, the system ran at a sustained readout rate of 400 MB/s of detector signal data originating from roughly 6 kHz L2 triggers, well within the peak performance of the system.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Enhancing the sensitivity of the LUX-ZEPLIN (LZ) dark matter experiment to low energy signals

Two-phase xenon detectors, such as that at the core of the forthcoming LZ dark matter experiment, use photomultiplier tubes to sense the primary (S1) and secondary (S2) scintillation signals resulting from particle interactions in their liquid xenon target. This paper describes a simulation study exploring two techniques to lower the energy threshold of LZ to gain sensitivity to low-mass dark matter and astrophysical neutrinos, which will be applicable to other liquid xenon detectors. The energy threshold is determined by the number of detected S1 photons; typically, these must be recorded in three or more photomultiplier channels to avoid dark count coincidences that mimic real signals. To lower this threshold: a) we take advantage of the double photoelectron emission effect, whereby a single vacuum ultraviolet photon has a $\sim20\%$ probability of ejecting two photoelectrons from a photomultiplier tube photocathode; and b) we drop the requirement of an S1 signal altogether, and use only the ionization signal, which can be detected more efficiently. For both techniques we develop signal and background models for the nominal exposure, and explore accompanying systematic effects, including the dependence on the free electron lifetime in the liquid xenon. When incorporating double photoelectron signals, we predict a factor of $\sim 4$ sensitivity improvement to the dark matter-nucleon scattering cross-section at $2.5$ GeV/c$^2$, and a factor of $\sim1.6$ increase in the solar $^8$B neutrino detection rate. Dropping the S1 requirement may allow sensitivity gains of two orders of magnitude in both cases. Finally, we apply these techniques to even lower masses by taking into account the atomic Migdal effect; this could lower the dark matter particle mass threshold to $80$ MeV/c$^2$.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗