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At least 1,153 records · Page 64

Training models using forces computed by stochastic electronic structure methods

Abstract Quantum Monte Carlo (QMC) can play a very important role in generating accurate data needed for constructing potential energy surfaces. We argue that QMC has advantages in terms of a smaller systematic bias and an ability to cover phase space more completely. The stochastic noise can ease the training of the machine learning model. We discuss how stochastic errors affect the generation of effective models by analyzing the errors within a linear least squares procedure, finding that there is an advantage to having many relatively imprecise data points for constructing models. We then analyze the effect of noise on a model of many-body silicon finding that noise in some situations improves the resulting model. We then study the effect of QMC noise on two machine learning models of dense hydrogen used in a recent study of its phase diagram. The noise enables us to estimate the errors in the model. We conclude with a discussion of future research problems.

Ceperley, David M. (ORCID:0000000150826271)↗

Momentum space AC Josephson effect and intervalley coherence in multilayer graphene

Electron transport driven by the phase coherence and interference of quantum many-body wavefunctions is a fascinating phenomenon with potential technological significance. Superconductivity, for example, enables dissipationless transport through macroscopic phase twisting, while charge-density waves show broadband noise and AC-DC interference once their phase is depinned. We identify an analogous phase-coherent dynamics in the intervalley-coherent (IVC) state frequently observed in rhombohedral multilayer graphene. We show that a static magnetic field drives an oscillating intervalley current, which produces an oscillating orbital magnetization and thereby a detectable AC Hall response. This mechanism is similar to the Josephson effect observed in superconductors but now happening in momentum space. In this analogy, the static magnetic field acts as the DC voltage, while the oscillating intervalley current is the AC Josephson current. We provide microscopic calculations of all the phase-number free-energy parameters in rhombohedral trilayer graphene, establishing this effect as an experimental signature of IVC order.

electronic properties and materials↗

Hot-Electron Bolometer Mixers on Silicon-on-Insulator Substrates for Terahertz Frequencies

A terahertz Hot-Electron Bolometer (HEB) mixer design using device substrates based on Silicon-On-Insulator (SOI) technology is described. This substrate technology allows very thin chips (6 pm) with almost arbitrary shape to be manufactured, so that they can be tightly fitted into a waveguide structure and operated at very high frequencies with only low risk for power leakages and resonance modes. The NbTiN-based bolometers are contacted by gold beam-leads, while other beamleads are used to hold the chip in place in the waveguide test fixture. The initial tests yielded an equivalent receiver noise temperature of 3460 K double-sideband at a local oscillator frequency of 1.462 THz and an intermediate frequency of 1.4 GHz.

bolometer↗

First measurements of plasma waves near Mars

Preliminary results from electric field measurements in the environment of Mars using the plasma-wave system on board Phobos 2 are reported. Electron-plasma oscillations observed upstream of the bow shock correspond to a solar-wind density of 2/cu cm. The shock-foot boundary was crossed up to three times on each orbit. The shock ramp was detected at altitudes between 0.45 and 0.75 Mars radii R(M) above the planetary surface. The density increased by about a factor of two at the ramp. The shock position, although variable, seems to be consistent with previous measurements. The downstream magnetosheath contained broadband electric-field noise below the plasma frequency. The boundary of th obstacle, or plasmapause, was crossed at altitudes of the order of 0.28 R(M); the cold plasma density was highly variable within the planetopause and reached the unexpected value of 700/cu cm on the third orbit, at 0.25 R(M) altitude. Bursts of waves with frequencies below the electron cyclotron frequency occur within the planetopause.

Grard, R.↗

Dynamic Nuclear Polarization Enhanced Nuclear Spin Optical Rotation

Here, nuclear spin optical rotation (NSOR) has been investigated as a magneto-optical effect, which holds the potential for applications, including hybrid optical-nuclear magnetic resonance (NMR) spectroscopy and gradientless imaging. The intrinsic nature of NSOR renders its detection relatively insensitive, which has prevented it moving from a proof of concept to a method supporting chemical characterizations. In this work, the dissolution dynamic nuclear polarization technique is introduced to provide nuclear spin polarization, increasing the signal-to-noise ratio by several thousand times. NSOR signals of 1 H and 19 F nuclei are observed in a single scan for diluted compounds, which has made this effect suitable for the determination of electronic transitions from a specific nucleus in a large molecule.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

GradDFT. A software library for machine learning enhanced density functional theory

Density functional theory (DFT) stands as a cornerstone method in computational quantum chemistry and materials science due to its remarkable versatility and scalability. Yet, it suffers from limitations in accuracy, particularly when dealing with strongly correlated systems. To address these shortcomings, recent work has begun to explore how machine learning can expand the capabilities of DFT: an endeavor with many open questions and technical challenges. In this work, we present GradDFT a fully differentiable JAX-based DFT library, enabling quick prototyping and experimentation with machine learning-enhanced exchange–correlation energy functionals. GradDFT employs a pioneering parametrization of exchange–correlation functionals constructed using a weighted sum of energy densities, where the weights are determined using neural networks. Moreover, GradDFT encompasses a comprehensive suite of auxiliary functions, notably featuring a just-in-time compilable and fully differentiable self-consistent iterative procedure. To support training and benchmarking efforts, we additionally compile a curated dataset of experimental dissociation energies of dimers, half of which contain transition metal atoms characterized by strong electronic correlations. The software library is tested against experimental results to study the generalization capabilities of a neural functional across potential energy surfaces and atomic species, as well as the effect of training data noise on the resulting model accuracy.

Chemistry↗

Resonant and random excitations on the proton beam in the Large Hadron Collider for active halo control with pulsed hollow electron lenses

We present the results of numerical simulations and experimental studies about the effects of resonant and random excitations on proton losses, emittances, and beam distributions in the Large Hadron Collider (LHC). In addition to shedding light on complex nonlinear effects, these studies are applied to the design of hollow electron lenses (HEL) for active beam halo control. In the High-Luminosity Large Hadron Collider (HL-LHC), a considerable amount of energy will be stored in the beam tails. To control and clean the beam halo, the installation of two hollow electron lenses, one per beam, is being considered. In standard electron-lens operation, a proton bunch sees the same electron current at every revolution. Pulsed electron beam operation (i.e., different currents for different turns) is also considered, because it can widen the range of achievable halo removal rates. For an axially symmetric electron beam, only protons in the halo are excited. If a residual field is present at the location of the beam core, these particles are exposed to time-dependent transverse kicks and to noise. We discuss the numerical simulations and the experiments conducted in 2016 and 2017 at injection energy in the LHC. The excitation patterns were generated by the transverse feedback and damping system, which acted as a flexible source of dipole kicks. Proton beam losses, emittances, and transverse distributions were recorded as a function of excitation patterns and strengths. The resonant excitations induced rich dynamical effects and nontrivial changes of the beam distributions, which, to our knowledge, have not previously been observed and studied in this detail. We conclude with a discussion of the tolerable and achievable residual fields and proposals for further studies.

43 PARTICLE ACCELERATORS↗

The future of aeronautical transportation; Proceedings of the Princeton University Conference, Princeton, N.J., November 10, 11, 1975

Papers are presented on first and second generation supersonic transports, the Supersonic Cruise Aircraft Research Program, wide-body subsonic transports and vertical and short takeoff and landing transports. Aspects of aircraft design are examined including the airframe, propulsion and electronics. Government regulation, cost/benefit analysis of research and development, airline economics and aircraft financing are also considered. The environmental impact of air transportation is discussed with emphasis on atmospheric emissions (including stratospheric pollution) and noise pollution. Individual items are announced in this issue.

Source record↗

Detection of a radio emission at 3 kHz in the outer heliosphere

A radio source in the outer heliosphere has been detected by the plasma wave receivers on Voyagers 1 and 2. The radio emission is observed in the frequency range 2-3 kHz, and is above the local solar wind electron plasma frequency whenever supporting plasma density data are available. The maximum spectral density of the emission recorded is about 10 to the -14th V-squared/m-squared/Hz. The bandwidth of the radio noise is about 1 kHz. Possible sources include continuum radiation from Jupiter's distant magnetotail and radiation at the second harmonic of the plasma frequency at the heliopause. If the latter interpretation is correct, these data represent the first remote observations of the heliopause.

Kurth, W. S.↗

X-band system performance of the very large array

The Very Large Array (VLA) is being equipped to receive telemetry from Voyager 2 during the Neptune encounter in 1989. Cryogenically cooled amplifiers are being installed on each of the 27 antennas. These amplifiers are currently a mix of field effect transistors (FETs) and high electron mobility transistors (HEMTs) and exhibit zenith system temperatures that range from 30 to 52 K. The system temperatures and aperture efficiencies determined during the past year are summarized. The nominal values of the noise diode calibration are compared with derived values made under the assumption of a uniform atmosphere over the array. Gain values are determined from observations of unresolved radio sources whose flux densities are well known. The tests suggest that the completed VLA will have a ratio of gain to system temperature that is approximately 4.4 dB above that of a single 64 m antenna of the Deep Space Network.

Ulvestad, J. S.↗

The impact of NRZ data asymmetry on the performance of a space telemetry system

The author derives an expression for the power spectral density of an asymmetric nonreturn-to-zero (NRZ) data stream. This formula is used to investigate how the data bandwidth varies with data asymmetry. The threshold levels of undesired spectral components that fall into the carrier tracking loop bandwidth are determined by examining the derived spectral density. Based on this formula, a simple technique is developed for the computation of bit signal-to-noise ratio (SNR) degradation due to data asymmetry. The telemetry bit SNR degradations derived using this technique are compared with the results obtained previously by Simon et al. (1978) and with measurements by the electronic systems test laboratory (ESTL) at the Johnson Space Center.

Nguyen, Tien M.↗

Laser Sources for Generation of Ultrasound

Two laser systems have been built and used to demonstrate enhancements beyond current technology used for laser-based generation and detection of ultrasound. The first system consisted of ten Nd:YAG laser cavities coupled electronically and optically to permit sequential bursts of up to ten laser pulses directed either at a single point or configured into a phased array of sources. Significant enhancements in overall signal-to-noise ratio for laser ultrasound incorporating this new source system was demonstrated, using it first as a source of narrowband ultrasound and secondly as a phased array source producing large enhanced signal displacements. A second laser system was implemented using ultra fast optical pulses from a Ti:Sapphire laser to study a new method for making laser generated ultrasonic measurements of thin films with thicknesses on the order of hundreds of angstroms. Work by prior investigators showed that such measurements could be made based upon fluctuations in the reflectivity of thin films when they are stressed by an arriving elastic pulse. Research performed using equipment purchased under this program showed that a pulsed interferometric system could be used as well as a piezoreflective detection system to measure pulse arrivals even in thin films with very low piezoreflective coefficients.

Wagner, James W.↗

In-Flight Anomalies and Radiation Performance of NASA Missions - Selected Lessons Learned

This presentation addresses in-flight electronic disturbances and radiation, specifically anomaly resolution. The process for anomaly review takes into account the environment, selected parts and design, existing and/or new radiation test data, risk probability and actions to be taken. Noise spikes and the meaning of upset in a fiber optic link are also discussed.

LaBel, Kenneth A.↗

Linear Mode HgCdTe Avalanche Photodiodes for Photon Counting Applications

An overview of recent improvements in the understanding and maturity of linear mode photon counting with HgCdTe electron-initiated avalanche photodiodes is presented. The first HgCdTe LMPC 2x8 format array fabricated in 2011 with 64 micron pitch was a remarkable success in terms of demonstrating a high single photon signal to noise ratio of 13.7 with an excess noise factor of 1.3-1.4, a 7 ns minimum time between events, and a broad spectral response extending from 0.4 micron to 4.2 micron. The main limitations were a greater than 10x higher false event rate than expected of greater than 1 MHz, a 5-7x lower than expected APD gain, and a photon detection efficiency of only 50% when greater than 60% was expected. This paper discusses the reasons behind these limitations and the implementation of their mitigations with new results.

HgCdTe↗

Highlights of the Test of the QUiet Electric Engine (QUEEN V1) in the NASA GRC Acoustical Testing Laboratory (ATL)

This presentation for the NASA Acoustics Technical Working Group meeting highlights preliminary acoustic and thermal test results from the Quiet Electric Engine (QUEEN V1) experiment recently performed in the NASA Glenn Research Center Acoustical Testing Laboratory. The QUEEN V1 features a single Commercial-Off-the-Shelf fan with an Outlet Guide Vane. Four inlet duct acoustic liners were tested. Electronic Speed Controller (ESC) temperatures were recorded for two different cooling methods: air cooling and a cold plate.

Acoustics↗

Simulation study for particle identification with the dRICH of the ePIC experiment at the EIC

The dual-radiator Imaging Cherenkov detector (dRICH), employing an aerogel and a gas radiator, is a key component of the forward particle identification system for the ePIC experiment at the Electron-Ion Collider (EIC). This study evaluates the dRICH performance using Geant4 simulations in the context of the global ePIC simulation stack, focusing on the optimization of the aerogel radiator and the impact of sensor noise. We compare two aerogel configurations: the initial design (n = 1.019) and the current default (n = 1.026). The latter, characterized by improved optical properties and a higher refractive index, demonstrates enhanced π/K separation at high momenta, effectively extending the operational overlap with the C 2 F 6 gas radiator (n = 1.00076 at 25 °C, as implemented in the simulation software). Additionally, the study investigates the impact of Silicon Photomultiplier (SiPM) dark noise, showing that a 300 kHz noise rate per 3mm x 3mm channel leads to a moderate reduction (approximately 1.5 GeV/c) in the 3σ separation threshold. These results validate the current dRICH design and quantify the purity levels achievable for both radiators under expected experimental conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Nanoscale Three-Dimensional Imaging of Integrated Circuits Using a Scanning Electron Microscope and Transition-Edge Sensor Spectrometer

X-ray nanotomography is a powerful tool for the characterization of nanoscale materials and structures, but it is difficult to implement due to the competing requirements of X-ray flux and spot size. Due to this constraint, state-of-the-art nanotomography is predominantly performed at large synchrotron facilities. We present a laboratory-scale nanotomography instrument that achieves nanoscale spatial resolution while addressing the limitations of conventional tomography tools. The instrument combines the electron beam of a scanning electron microscope (SEM) with the precise, broadband X-ray detection of a superconducting transition-edge sensor (TES) microcalorimeter. The electron beam generates a highly focused X-ray spot on a metal target held micrometers away from the sample of interest, while the TES spectrometer isolates target photons with a high signal-to-noise ratio. This combination of a focused X-ray spot, energy-resolved X-ray detection, and unique system geometry enables nanoscale, element-specific X-ray imaging in a compact footprint. The proof of concept for this approach to X-ray nanotomography is demonstrated by imaging 160 nm features in three dimensions in six layers of a Cu-SiO 2 integrated circuit, and a path toward finer resolution and enhanced imaging capabilities is discussed.

47 OTHER INSTRUMENTATION↗

Low energy X-ray spectra measured with a mercuric iodide energy dispersive spectrometer in a scanning electron microscope

A mercuric iodide energy dispersive X-ray spectrometer, with Peltier cooling provided for the detector and input field effect transistor, has been developed and tested in a scanning electron microscope. X-ray spectra were obtained with the 15 keV electron beam. An energy resolution of 225 eV (FWHM) for Mn-K(alpha) at 5.9 keV and 195 eV (FWHM) for the Mg-K line at 1.25 keV has been measured. Overall system noise level was 175 eV (FWHM). The detector system characterization with a carbon target demonstrated good energy sensitivity at low energies and lack of significant spectral artifacts at higher energies.

Iwanczyk, J. S.↗