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At least 1,261 records · Page 70

Electrical switching in a Fe-thiacrown molecular device

First-principles calculations are performed to inspect the electronic and transport properties of a Fe-thiacrown molecular device, namely, a Au-Fe(9S{sub 3}){sub 2}-Au junction. It is found that the junction has a low-spin (LS) ground state and a high-spin (HS) metastable state. Further study shows that the HS state is a conducting state while the LS state is a nearly insulating one, which means that a switch between these two spin configurations results in a good electrical switching behavior and can serve as an ON/OFF state for a logic unit. Thus, it may find applications as switches or memories in molecular electronic circuits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nature of the nonequilibrium phase transition in the non-Markovian driven Dicke model

The Dicke model famously exhibits a phase transition to a superradiant phase with a macroscopic population of photons and is realized in multiple settings in open quantum systems. In this paper, we study a variant of the Dicke model where the cavity mode is lossy due to the coupling to a Markovian environment while the atomic mode is coupled to a colored bath. We analytically investigate this model by inspecting its low-frequency behavior via the Schwinger-Keldysh field theory and carefully examine the nature of the corresponding superradiant phase transition. Integrating out the fast modes, we can identify a simple effective theory allowing us to derive analytical expressions for various critical exponents including the dynamical exponent. We find excellent agreement with previous numerical results when the non-Markovian bath is at zero temperature; however, contrary to these studies, our low-frequency approach reveals that the same exponents govern the critical behavior when the colored bath is at finite temperature unless the chemical potential is zero. Furthermore, we show that the superradiant phase transition is classical in nature, while it is genuinely nonequilibrium. In this work, we derive a fractional Langevin equation and conjecture the associated fractional Fokker-Planck equation that captures the system's long-time memory as well as its nonequilibrium behavior. Finally, we consider finite-size effects at the phase transition and identify the finite-size scaling exponents, unlocking a rich behavior in both statics and dynamics of the photonic and atomic observables.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Linear-Complexity Tensor Butterfly Algorithm for Compressing High-Dimensional Oscillatory Integral Operators

This paper presents a multilevel tensor compression algorithm called tensor butterfly algorithm for efficiently representing large-scale and high-dimensional oscillatory integral operators, including Green's functions for wave equations and integral transforms such as Radon transforms and Fourier transforms. The proposed algorithm leverages a tensor extension of the so-called complementary low-rank property of existing matrix butterfly algorithms. The algorithm partitions the discretized integral operator tensor into subtensors of multiple levels and factorizes each subtensor at the middle level as a Tucker-type interpolative decomposition, whose factor matrices are formed in a multilevel fashion. For a d-dimensional (d > 1) integral operator discretized into a 2d-mode tensor with n2d entries, the overall CPU time and memory requirement scale as O(nd), in stark contrast to the O(nd log n) complexity of existing matrix algorithms such as matrix butterfly algorithms and fast Fourier transforms (FFTs), where n is the number of points per direction. When comparing with other tensor algorithms such as quantized tensor train (QTT), the proposed algorithm also shows superior CPU and memory performance for tensor contraction. Remarkably, the tensor butterfly algorithm can efficiently model high-frequency Green's function interactions between two unit cubes, each spanning 512 wavelengths per direction, which represents problems of scale over 512× larger than that existing butterfly algorithms can handle, with the same amount of computation resources. On the other hand, for a problem representing 64 wavelengths per direction, which is the largest size existing algebraic matrix algorithms can handle, our tensor butterfly algorithm exhibits 200x speedups and 30× memory reduction compared with existing ones. Moreover, the tensor butterfly algorithm also permits O(nd)-complexity FFTs and Radon transforms up to d = 6 dimensions.

Kielstra, P Michael↗

Wavelet-Smoothed Interpolation of Masked Scientific Data for JPEG 2000 Compression [Slides]

How should we manage scientific data with 'holes'? Some applications, like JPEG 2000, expect logically rectangular data, but some sources, like the Parallel Ocean Program (POP), generate data that isn't defined on certain subsets. We refer to grid points that lack well-defined, scientifically meaningful sample values as 'masked' samples. Wavelet-smoothing is a highly scalable interpolation scheme for regions with complex boundaries on logically rectangular grids. Computation is based on forward/inverse discrete wavelet transforms, so runtime complexity and memory scale linearly with respect to sample count. Efficient state-of-the-art minimal realizations yield small constants (O(10)) for arithmetic complexity scaling, and in-situ implementation techniques make optimal use of memory. Implementation in two dimensions using tensor product filter banks is straighsorward and should generalize routinely to higher dimensions. No hand-tuning required when the interpolation mask changes, making the method aeractive for problems with time-varying masks. Well-suited for interpolating undefined samples prior to JPEG 2000 encoding. The method outperforms global mean interpolation, as judged by both SNR rate-distortion performance and low-rate artifact mitigation, for data distributions whose histograms do not take the form of sharply peaked, symmetric, unimodal probability density functions. These performance advantages can hold even for data whose distribution differs only moderately from the peaked unimodal case, as demonstrated by POP salinity data. The interpolation method is very general and is not tied to any particular class of applications, could be used for more generic smooth interpolation.

42 ENGINEERING↗

Detection of Isotopes in Urban Source Search Gamma Spectra Using Hopfield Neural Network

Source search campaigns involve the measurement of consecutive background gamma-ray spectra obtained with a mobile detector-spectrometer, such as tellurium-doped sodium iodide NaI(Tl) scintillator detector-spectrometer. Counts are measured with NaI(Tl) detector in short acquisition intervals, such as one second. Detection of isotopes in search data is challenging because of the low signal-to-noise ratio (S/N) of the spectral lines and highly varying background due to naturally occurring radioactive material (NORM). In this work, we investigate the performance of the detection of orphan Cs-137, Am-241, and I-131 isotopes in a gamma ray data set obtained in a search survey. Isotopic detection is performed with a Hopfield Neural Network (HNN), which implements an auto-associative memory by matching incoming measurements to the closest one of its memory-stored signature patterns. HNN is trained on examples of spectra of calibrated isotopic sources with well-resolved spectral lines. During testing, HNN processes spectra with partially complete or distorted isotopic lines. The performance of the HNN detection algorithm is benchmarked with Precision, Recall, and F1 scores. Test results demonstrate the potential of HNN to detect the isotope of interest with high accuracy (F1 > 90%) for all isotopes in this study.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A comparison of methods for DPLL loop filter design

Four design methodologies for loop filters for a class of digital phase-locked loops (DPLLs) are presented. The first design maps an optimum analog filter into the digital domain; the second approach designs a filter that minimizes in discrete time weighted combination of the variance of the phase error due to noise and the sum square of the deterministic phase error component; the third method uses Kalman filter estimation theory to design a filter composed of a least squares fading memory estimator and a predictor. The last design relies on classical theory, including rules for the design of compensators. Linear analysis is used throughout the article to compare different designs, and includes stability, steady state performance and transient behavior of the loops. Design methodology is not critical when the loop update rate can be made high relative to loop bandwidth, as the performance approaches that of continuous time. For low update rates, however, the miminization method is significantly superior to the other methods.

Aguirre, S.↗

Solid-state image sensor with focal-plane digital photon-counting pixel array

A photosensitive layer such as a-Si for a UV/visible wavelength band is provided for low light level imaging with at least a separate CMOS amplifier directly connected to each PIN photodetector diode to provide a focal-plane array of NxN pixels, and preferably a separate photon-counting CMOS circuit directly connected to each CMOS amplifier, although one row of counters may be time shared for reading out the photon flux rate of each diode in the array, together with a buffer memory for storing all rows of the NxN image frame before transfer to suitable storage. All CMOS circuitry is preferably fabricated in the same silicon layer as the PIN photodetector diode for a monolithic structure, but when the wavelength band of interest requires photosensitive material different from silicon, the focal-plane array may be fabricated separately on a different semiconductor layer bump-bonded or otherwise bonded for a virtually monolithic structure with one free terminal of each diode directly connected to the input terminal of its CMOS amplifier and digital counter for integration of the photon flux rate at each photodetector of the array.

Fossum, Eric R.↗

Predictive Modeling in Plasma Reactor and Process Design

Research continues toward the improvement and increased understanding of high-density plasma tools. Such reactor systems are lauded for their independent control of ion flux and energy enabling high etch rates with low ion damage and for their improved ion velocity anisotropy resulting from thin collisionless sheaths and low neutral pressures. Still, with the transition to 300 mm processing, achieving etch uniformity and high etch rates concurrently may be a formidable task for such large diameter wafers for which computational modeling can play an important role in successful reactor and process design. The inductively coupled plasma (ICP) reactor is the focus of the present investigation. The present work attempts to understand the fundamental physical phenomena of such systems through computational modeling. Simulations will be presented using both computational fluid dynamics (CFD) techniques and the direct simulation Monte Carlo (DSMC) method for argon and chlorine discharges. ICP reactors generally operate at pressures on the order of 1 to 10 mTorr. At such low pressures, rarefaction can be significant to the degree that the constitutive relations used in typical CFD techniques become invalid and a particle simulation must be employed. This work will assess the extent to which CFD can be applied and evaluate the degree to which accuracy is lost in prediction of the phenomenon of interest; i.e., etch rate. If the CFD approach is found reasonably accurate and bench-marked with DSMC and experimental results, it has the potential to serve as a design tool due to the rapid time relative to DSMC. The continuum CFD simulation solves the governing equations for plasma flow using a finite difference technique with an implicit Gauss-Seidel Line Relaxation method for time marching toward a converged solution. The equation set consists of mass conservation for each species, separate energy equations for the electrons and heavy species, and momentum equations for the gas. The sheath is modeled by imposing the Bohm velocity to the ions near the walls. The DSMC method simulates each constituent of the gas as a separate species which would be analogous in CFD to employing separate species mass, momentum, and energy equations. All particles including electrons are moved and allowed to collide with one another with the stipulation that the electrons remain tied to the ions consistent with the concept of ambipolar diffusion. The velocities of the electrons are allowed to be modified during collisions and are not confined to a Maxwellian distribution. These benefits come at a price in terms of computational time and memory. The DSMC and CFD are made as consistent as possible by using similar chemistry and power deposition models. Although the comparison of CFD and DSMC is interesting, the main goal of this work is the increased understanding of high-density plasma flowfields that can then direct improvements in both techniques. This work is unique in the level of the physical models employed in both the DSMC and CFD for high-density plasma reactor applications. For example, the electrons are simulated in the present DSMC work which has not been done before for low temperature plasma processing problems. In the CFD approach, for the first time, the charged particle transport (discharge physics) has been self-consistently coupled to the gas flow and heat transfer.

Hash, D. B.↗

BEOL compatible high tunnel magneto resistance perpendicular magnetic tunnel junctions using a sacrificial Mg layer as CoFeB free layer cap

Perpendicularly magnetized MgO-based tunnel junctions are envisaged for future generation spin-torque transfer magnetoresistive random access memory devices. Achieving a high tunnel magneto resistance and preserving it together with the perpendicular magnetic anisotropy during BEOL CMOS processing are key challenges to overcome. The industry standard technique to deposit the CoFeB/MgO/CoFeB tunnel junctions is physical vapor deposition. In this letter, we report on the use of an ultrathin Mg layer as free layer cap to protect the CoFeB free layer from sputtering induced damage during the Ta electrode deposition. When Ta is deposited directly on CoFeB, a fraction of the surface of the CoFeB is sputtered even when Ta is deposited with very low deposition rates. When depositing a thin Mg layer prior to Ta deposition, the sputtering of CoFeB is prevented. The ultra-thin Mg layer is sputtered completely after Ta deposition. Therefore, the Mg acts as a sacrificial layer that protects the CoFeB from sputter-induced damage during the Ta deposition. The Ta-capped CoFeB free layer using the sacrificial Mg interlayer has significantly better electrical and magnetic properties than the equivalent stack without protective layer. We demonstrate a tunnel magneto resistance increase up to 30% in bottom pinned magnetic tunnel junctions and tunnel magneto resistance values of 160% at resistance area product of 5 Ω.μm{sup 2}. Moreover, the free layer maintains perpendicular magnetic anisotropy after 400 °C annealing.

36 MATERIALS SCIENCE↗

Electrical manipulation of skyrmions in a chiral magnet

Writing, erasing and computing are three fundamental operations required by any working electronic device. Magnetic skyrmions could be essential bits in promising in emerging topological spintronic devices. In particular, skyrmions in chiral magnets have outstanding properties like compact texture, uniform size, and high mobility. However, creating, deleting, and driving isolated skyrmions, as prototypes of aforementioned basic operations, have been a grand challenge in chiral magnets ever since the discovery of skyrmions, and achieving all these three operations in a single device is even more challenging. Here, by engineering chiral magnet Co 8 Zn 10 Mn 2 into the customized micro-devices for in-situ Lorentz transmission electron microscopy observations, we implement these three operations of skyrmions using nanosecond current pulses with a low current density of about 10 10 A·m -2 at room temperature. A notched structure can create or delete magnetic skyrmions depending on the direction and magnitude of current pulses. We further show that the magnetic skyrmions can be deterministically shifted step-by-step by current pulses, allowing the establishment of the universal current-velocity relationship. These experimental results have immediate significance towards the skyrmion-based memory or logic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

IRIS-MEMFLOW: Data Flow-Enabled Portable Memory Orchestration in IRIS Runtime for Diverse Heterogeneity

Task-based programming models and execution paradigms provide a means to decompose a computation by expressing it as a graph in which each node represents a specific computation operating on memory objects and the edges define the dependencies in the execution flow. In this execution model, independent nodes in the graph can be executed concurrently in different computing devices, making it suitable for heterogeneous systems in which computing devices with different architectures coexist. However, careful memory orchestration across heterogeneous devices is needed because copies of the same memory object may reside in multiple devices during execution. Manually ensuring such an orchestration is quite challenging. Not only must an application developer guard against race conditions, but they must also optimize data movement between the host and devices because unnecessary data movement significantly impacts performance. To mitigate these challenges, we enhance the IRIS heterogeneous runtime and introduce IRIS-MEMFLOW–a data flow–enabled portable memory abstraction for seamlessly orchestrating memory in diverse heterogeneous computing environments. By using data-flow analysis, IRIS-MEMFLOW guards against race conditions while multiple heterogeneous devices access memory objects. IRIS-MEMFLOW also optimizes data movement between the host and devices without manual intervention. As a result, IRIS provides improved programming productivity, performance, and portability for multidevice heterogeneous executions in high-performance computing and cloud systems that run diverse architectures from different vendors. The efficacy of IRIS-MEMFLOW is evaluated through experiments that show its capability in terms of programming productivity, multidevice heterogeneity, portability, and low overhead versus the state of the art.

Monil, M. A. H. [ORNL] (ORCID:0000000334194037)↗

Porous-Floating-Gate Field-Effect Transistor

Porous-floating-gate, "vertical" field-effect transistor proposed as programmable analog memory device especially suitable for use in electronic neural networks. Analog value of electrical conductance of device represents synaptic weight (strength of synaptic connection) repeatedly modified by application of suitable writing or erasing voltage. Suited for hardware implementations of massively parallel neural-network architectures for two important reasons: vertical transistor structure requires only two external electrodes, and use of tailored amorphous semiconductors provides choice of very wide range of low conductivity values, dictated by overall power dissipation requirements in massively parallel neural-network circuits.

Thakoor, Anilkumar P.↗

Agglomeration Multigrid for an Unstructured-Grid Flow Solver

An agglomeration multigrid scheme has been implemented into the sequential version of the NASA code USM3Dns, tetrahedral cell-centered finite volume Euler/Navier-Stokes flow solver. Efficiency and robustness of the multigrid-enhanced flow solver have been assessed for three configurations assuming an inviscid flow and one configuration assuming a viscous fully turbulent flow. The inviscid studies include a transonic flow over the ONERA M6 wing and a generic business jet with flow-through nacelles and a low subsonic flow over a high-lift trapezoidal wing. The viscous case includes a fully turbulent flow over the RAE 2822 rectangular wing. The multigrid solutions converged with 12%-33% of the Central Processing Unit (CPU) time required by the solutions obtained without multigrid. For all of the inviscid cases, multigrid in conjunction with an explicit time-stepping scheme performed the best with regard to the run time memory and CPU time requirements. However, for the viscous case multigrid had to be used with an implicit backward Euler time-stepping scheme that increased the run time memory requirement by 22% as compared to the run made without multigrid.

Frink, Neal↗

Online randomized interpolative decomposition with a posteriori error estimator for temporal PDE data reduction

Traditional low-rank approximation is a powerful tool for compressing large data matrices that arise in simulations of partial differential equations (PDEs), but suffers from high computational cost and requires several passes over the PDE data. The compressed data may also lack interpretability thus making it difficult to identify feature patterns from the original data. Here, to address these issues, we present an online randomized algorithm to compute the interpolative decomposition (ID) of large-scale data matrices in situ. Compared to previous randomized IDs that used the QR decomposition to determine the column basis, we adopt a streaming ridge leverage score-based column subset selection algorithm that dynamically selects proper basis columns from the data and thus avoids an extra pass over the data to compute the coefficient matrix of the ID. In particular, we adopt a single-pass error estimator based on the non-adaptive Hutch++ algorithm to provide real-time error approximation for determining the best coefficients. As a result, our approach only needs a single pass over the original data and thus is suitable for large and high-dimensional matrices stored outside of core memory or generated in PDE simulations. A strategy to improve the accuracy of the reconstructed data gradient, when desired, within the ID framework is also presented. We provide numerical experiments on turbulent channel flow and ignition simulations, and on the NSTX Gas Puff Image dataset, comparing our algorithm with the offline ID algorithm to demonstrate its utility in real-world applications.

Column subset selection↗

Experimental study on rheological and settling properties of shape memory polymer for fracture sealing in geothermal formations

This article studies the rheology and annular flow of a smart lost circulation material (LCM) at 160 °C, using a high-temperature flow loop. The smart LCM is a shape memory polymer (SMP) that activates at high temperatures, and its particle size increases to seal fractures in geothermal formations. SMP was mixed with the base fluid in two different concentrations, 1.0 and 3.0 wt%, to study rheology, wellbore hydraulics, activation process, and settling behavior under different testing conditions. The results of this study showed that the SMP could be activated at high temperatures. An increase of 80–100% in the particle size was observed at 160 °C. The mud samples showed a high shear-thinning behavior at the two concentrations with a Power-law flow index (n) ranging between 0.025 and 0.101. No additional frictional pressure losses were observed when SMP was added to the base fluid. SMP particles showed an excellent suspension at 1.0 wt% while, at 3.0 wt%, a bed was formed at a low flow rate and without pipe rotation. Increasing the drill pipe rotational speed or flow rate effectively removed the bed and homogeneously dispersed the SMP particles, ensuring a better sealing efficiency. SMP particle dispersion in inclined wells was better than in horizontal wells. Moreover, the findings of this study help optimize the lost circulation treatment by considering a wide range of operating parameters that can further be extended to different systems and geometries.

02 PETROLEUM↗

Memristive behavior in a junctionless flash memory cell

We report charge storage based memristive operation of a junctionless thin film flash memory cell when it is operated as a two terminal device by grounding the gate. Unlike memristors based on nanoionics, the presented device mode, which we refer to as the flashristor mode, potentially allows greater control over the memristive properties, allowing rational design. The mode is demonstrated using a depletion type n-channel ZnO transistor grown by atomic layer deposition (ALD), with HfO{sub 2} as the tunnel dielectric, Al{sub 2}O{sub 3} as the control dielectric, and non-stoichiometric silicon nitride as the charge storage layer. The device exhibits the pinched hysteresis of a memristor and in the unoptimized device, R{sub off}/R{sub on} ratios of about 3 are presented with low operating voltages below 5 V. A simplified model predicts R{sub off}/R{sub on} ratios can be improved significantly by adjusting the native threshold voltage of the devices. The repeatability of the resistive switching is excellent and devices exhibit 10{sup 6 }s retention time, which can, in principle, be improved by engineering the gate stack and storage layer properties. The flashristor mode can find use in analog information processing applications, such as neuromorphic computing, where well-behaving and highly repeatable memristive properties are desirable.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Sentinel

Network intrusion detection systems (NIDS) are commonplace in network security but they frequently employ algorithms that are computational demanding requiring hardware and software with significant power requirements. Two examples of such resource-intensive algorithms used for network security are regular expression matching and broader signature pattern matching which are commonly used in deep packet inspection (DPI). Network security algorithms that have large power requirements may be a challenge for low-power internet-of-things (IoT) environments, which generally lack the power resources to implement complex security measures like computationally expensive DPI at the edge. Furthermore, IoT environments incorporating 5G standalone networks have network latency constraints beyond just power that make DPI at the edge even more difficult. Programmable logic is ideally suited for machine learning inference for DPI because of its deep instruction level parallelism and single-cycle memory access. Machine learning approaches for DPI have been explored before using the programmable logic of field programmable gate arrays (FPGA) as a potential solution for NIDS approaches that would be power-suitable for IoT. However, those previous programmable logic NIDS approaches utilize either a supervised or unsupervised learning model. Sentinel utilizes the ensemble of these two machine learning approaches known as a semi-supervised approach which has shown promise in NIDS implementations. Sentinel provides a programmable logic implementation of a semi-supervised approach for DPI which operates at much lower power and latency than a GPU implementation with negligible loss of accuracy due to quantization through a logistic regressor.

Anderson, MatthewW [Idaho National Laboratory (INL↗

Data assimilation in a solar dynamo model using Ensemble Kalman Filters: sensitivity and robustness in reconstruction of meridional flow speed

We implement an Ensemble Kalman Filter procedure using the Data Assimilation Research Testbed for assimilating “synthetic” meridional flow-speed data in a Babcock–Leighton-type flux-transport solar dynamo model. By performing several “observing system simulation experiments,” we reconstruct time variation in meridional flow speed and analyze sensitivity and robustness of reconstruction. Using 192 ensemble members including 10 observations, each with 4% error, we find that flow speed is reconstructed best if observations of near-surface poloidal fields from low latitudes and tachocline toroidal fields from midlatitudes are assimilated. If observations include a mixture of poloidal and toroidal fields from different latitude locations, reconstruction is reasonably good for ⩽40% error in low-latitude data, even if observational error in polar region data becomes 200%, but deteriorates when observational error increases in low- and midlatitude data. Solar polar region observations are known to contain larger errors than those in low latitudes; our forward operator (a flux-transport dynamo model here) can sustain larger errors in polar region data, but is more sensitive to errors in low-latitude data. An optimal reconstruction is obtained if an assimilation interval of 15 days is used; 10- and 20-day assimilation intervals also give reasonably good results. Assimilation intervals <5 days do not produce faithful reconstructions of flow speed, because the system requires a minimum time to develop dynamics to respond to flow variations. Reconstruction also deteriorates if an assimilation interval >45 days is used, because the system’s inherent memory interferes with its short-term dynamics during a substantially long run without updating.

79 ASTRONOMY AND ASTROPHYSICS↗