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Engineering topics

Shen, X.

Publications and source records attributed to Shen, X..

At least 55 records · Page 3

Exploring Deep Learning and Sparse Matrix Format Selection

We proposed to explore the use of Deep Neural Networks (DNN) for addressing the longstanding barriers. The recent rapid progress of DNN technology has created a large impact in many fields, which has significantly improved the prediction accuracy over traditional machine learning techniques in image classifications, speech recognitions, machine translations, and so on. To some degree, these tasks resemble the decision makings in many HPC tasks, including the aforementioned format selection for SpMV and linear solver selection. For instance, sparse matrix format selection is akin to image classification—such as, to tell whether an image contains a dog or a cat; in both problems, the right decisions are primarily determined by the spatial patterns of the elements in an input. For image classification, the patterns are of pixels, and for sparse matrix format selection, they are of non-zero elements. DNN could be naturally applied if we regard a sparse matrix as an image and the format selection or solver selection as classification problems.

97 MATHEMATICS AND COMPUTING↗

Superconducting epitaxial YBa 2 Cu 3 O 7-δ on SrTiO 3 buffered Si (001)

Thin films of optimally-doped (001)-oriented YBa 2 Cu 3 O 7-δ are epitaxially integrated on silicon (001) through growth on a single crystalline SrTiO 3 buffer. The former is grown using pulsed-laser deposition and the latter is grown on Si using oxide molecular beam epitaxy. The single crystal nature of the SrTiO 3 buffer enables high quality YBa 2 Cu 3 O 7-δ films exhibiting high transition temperatures to be integrated on Si. For a 30 nm thick SrTiO 3 buffer, 50 nm thick YBa 2 Cu 3 O 7-δ films that exhibit a transition temperature of ~ 93 K, and a narrow transition width (< 5 K) are achieved. Furthermore, the integration of single crystalline YBa 2 Cu 3 O 7-δ on Si (001) paves the way for the potential exploration of cuprate materials in a variety of applications.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Beyond a phenomenological description of magnetostriction

Magnetostriction, the strain induced by a change in magnetization, is a universal effect in magnetic materials. Owing to the difficulty in unraveling its microscopic origin, it has been largely treated phenomenologically. Here in this paper, we show how the source of magnetostriction—the underlying magnetoelastic stress—can be separated in the time domain, opening the door for an atomistic understanding. X-ray and electron diffraction are used to separate the sub-picosecond spin and lattice responses of FePt nanoparticles. Following excitation with a 50-fs laser pulse, time-resolved X-ray diffraction demonstrates that magnetic order is lost within the nanoparticles with a time constant of 146 fs. Ultrafast electron diffraction reveals that this demagnetization is followed by an anisotropic, three-dimensional lattice motion. Analysis of the size, speed, and symmetry of the lattice motion, together with ab initio calculations accounting for the stresses due to electrons and phonons, allow us to reveal the magnetoelastic stress generated by demagnetization.

36 MATERIALS SCIENCE↗

Memristive devices from ZnO nanowire bundles and meshes

Here, we report two types of memristive devices made of ZnO nanowire assemblies and Ag electrodes: nanowire-bundle and nanowire-mesh memristors. Although constructed with the same materials, these devices exhibit different characteristics. Nanowire-bundle memristors have small On/Off ratios and feature stable hysteresis under X-ray irradiation. Nanowire-mesh memristors show large On/Off ratios and multiple distinct states. We attribute the switching in bundle nanowires to the modification of the Schottky barrier by the mobile Ag ions and the stability of hysteresis to the ability of the bundles to retain Ag in the alleys between nanowires, as confirmed by first-principles calculations and energy dispersive x-ray measurements. For nanowire-mesh memristors, the high On/Off ratio leads us to attribute the switching mechanism to the formation and dissolution of Ag bridges in the nano-gaps at the intersections of nanowires.

42 ENGINEERING↗

Femtosecond mega-electron-volt electron microdiffraction

To understand and control the basic functions of physical, chemical and biological processes from micron to nano-meter scale, an instrument capable of visualizing transient structural changes of inhomogeneous materials with atomic spatial and temporal resolutions, is required. One such technique is femtosecond electron microdiffraction, in which a short electron pulse with femtosecond-scale duration is focused into a micron-scale spot and used to obtain diffraction images to resolve ultrafast structural dynamics over a localized crystalline domain. In this letter, we report the experimental demonstration of time-resolved mega-electron-volt electron microdiffraction which achieves a 5 μm root-mean-square (rms) beam size on the sample and a 110 fs rms temporal resolution. Using pulses of 10k electrons at 4.2 MeV energy with a normalized emittance 3 nm-rad, we obtained high quality diffraction from a single 10 μm paraffin ( C 44 H 90 ) crystal. The phonon softening mode in optical-pumped polycrystalline Bi was also time-resolved, demonstrating the temporal resolution limits of the instrument. In conclusion, this new characterization capability will open many research opportunities in material and biological sciences.

36 MATERIALS SCIENCE↗

Electron-lattice energy relaxation in laser-excited thin-film Au-insulator heterostructures studied by ultrafast MeV electron diffraction

We apply time-resolved MeV electron diffraction to study the electron-lattice energy relaxation in thin film Au-insulator heterostructures. Through precise measurements of the transient Debye-Waller-factor, the mean-square atomic displacement is directly determined, which allows to quantitatively follow the temporal evolution of the lattice temperature after short pulse laser excitation. Data obtained over an extended range of laser fluences reveal an increased relaxation rate when the film thickness is reduced or the Au-film is capped with an additional insulator top-layer. This behavior is attributed to a cross-interfacial coupling of excited electrons in the Au film to phonons in the adjacent insulator layer(s). Analysis of the data using the two-temperature-model taking explicitly into account the additional energy loss at the interface(s) allows to deduce the relative strength of the two relaxation channels.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Stacking order dynamics in the quasi-two-dimensional dichalcogenide 1 T -TaS2 probed with MeV ultrafast electron diffraction

Transitions between different charge density wave (CDW) states in quasi-two-dimensional materials may be accompanied also by changes in the inter-layer stacking of the CDW. Using MeV ultrafast electron diffraction, the out-of-plane stacking order dynamics in the quasi-two-dimensional dichalcogenide 1T-TaS2 is investigated for the first time. From the intensity of the CDW satellites aligned around the commensurate l = 1/6 characteristic stacking order, it is found out that this phase disappears with a 0.3 ps time constant. Simultaneously, in the same experiment, the emergence of the incommensurate phase, with a slightly slower 2.0 ps time constant, is determined from the intensity of the CDW satellites aligned around the incommensurate l = 1/3 characteristic stacking order. These results might be of relevance in understanding the metallic character of the laser-induced metastable “hidden” state recently discovered in this compound.

36 MATERIALS SCIENCE↗

A direct electron detector for time-resolved MeV electron microscopy

The introduction of direct electron detectors enabled the structural biology revolution of cryogenic electron microscopy. Direct electron detectors are now expected to have a similarly dramatic impact on time-resolved MeV electron microscopy, particularly by enabling both spatial and temporal jitter correction. Here in this paper, we report on the commissioning of a direct electron detector for time-resolved MeV electron microscopy. The direct electron detector demonstrated MeV single electron sensitivity and is capable of recording megapixel images at 180 Hz. The detector has a 15-bit dynamic range, better than 30-μm spatial resolution and less than 20 analogue-to-digital converter count RMS pixel noise. The unique capabilities of the direct electron detector and the data analysis required to take advantage of these capabilities are presented. The technical challenges associated with generating and processing large amounts of data are also discussed.

36 MATERIALS SCIENCE↗

Structural, magnetic and transport properties of Pb{sub 2}Cr{sub 1+x}Mo{sub 1−x}O{sub 6} (−1≤x≤1/3)

Pb{sub 2}Cr{sub 1+x}Mo{sub 1-x}O{sub 6} (−1≤x≤1/3) samples were synthesized via a high pressure and high temperature route. X-ray diffraction results suggest the samples crystallize in a disordered double perovskite structure (Pm-3m). X-ray photoemission spectroscopy results confirm the presence of Mo{sup 4+} for x=−1 and Mo{sup 6+} for x=1/3. The measured magnetic and electrical properties exhibit systematic change with increasing x. - Highlights: • A series of Pb{sub 2}Cr{sub 1+x}Mo{sub 1−x}O{sub 6} samples were synthesized under high pressure. • Magnetic and electrical properties of the series samples were investigated. • Valence states of Cr and Mo were determined through the analyses of XRD and XPS results. • Ground state of PbMoO{sub 3} were determined through the transport study and first-principles calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electrically coupling complex oxides to semiconductors: A route to novel material functionalities

Complex oxides and semiconductors exhibit distinct yet complementary properties owing to their respective ionic and covalent natures. By electrically coupling complex oxides to traditional semiconductors within epitaxial heterostructures, enhanced or novel functionalities beyond those of the constituent materials can potentially be realized. Essential to electrically coupling complex oxides to semiconductors is control of the physical structure of the epitaxially grown oxide, as well as the electronic structure of the interface. In this paper, we discuss how composition of the perovskite A- and B-site cations can be manipulated to control the physical and electronic structure of semiconductor—complex oxide heterostructures. Two prototypical heterostructures, Ba 1-x Sr x TiO 3 /Ge and SrZr x Ti 1-x O 3 /Ge, will be discussed. In the case of Ba 1-x Sr x TiO 3 /Ge, we discuss how strain can be engineered through A-site composition to enable the re-orientable ferroelectric polarization of the former to be coupled to carriers in the semiconductor. In the case of SrZr x Ti 1-x O 3 /Ge we discuss how B-site composition can be exploited to control the band offset at the interface. Finally, analogous to heterojunctions between compound semiconducting materials, control of band offsets, i.e., band-gap engineering, provides a pathway to electrically couple complex oxides to semiconductors to realize a host of functionalities.

36 MATERIALS SCIENCE↗

Single-shot mega-electronvolt ultrafast electron diffraction for structure dynamic studies of warm dense matter

We have developed a single-shot mega-electronvolt ultrafast-electron-diffraction system to measure the structural dynamics of warm dense matter. The electron probe in this system is featured by a kinetic energy of 3.2 MeV and a total charge of 20 fC, with the FWHM pulse duration and spot size at sample of 350 fs and 120 μm respectively. We demonstrate its unique capability by visualizing the atomic structural changes of warm dense gold formed from a laser-excited 35-nm freestanding single-crystal gold foil. The temporal evolution of the Bragg peak intensity and of the liquid signal during solid-liquid phase transition are quantitatively determined. This experimental capability opens up an exciting opportunity to unravel the atomic dynamics of structural phase transitions in warm dense matter regime.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Feasibility studies of time-like proton electromagnetic form factors at $\overline{\rm P}$ANDA at FAIR

Simulation results for future measurements of electromagnetic proton form factors at $\overline{\rm P}$ANDA (FAIR) within the PandaRoot software framework are reported. The statistical precision with which the proton form factors can be determined is estimated. The signal channel p¯p → e + e – is studied on the basis of two different but consistent procedures. The suppression of the main background channel, i.e. p¯p → π + π – , is studied. Furthermore, the background versus signal efficiency, statistical and systematical uncertainties on the extracted proton form factors are evaluated using two different procedures. The results are consistent with those of a previous simulation study using an older, simplified framework. Furthermore, a slightly better precision is achieved in the PandaRoot study in a large range of momentum transfer, assuming the nominal beam conditions and detector performance.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Variability of structural and electronic properties of bulk and monolayer Si 2 Te 3

Silicon telluride has diverse properties for potential applications in Si-based devices ranging from fully integrated thermoelectrics to optoelectronics to chemical sensors. This material has a unique layered structure: it has a hexagonal closed-packed Te sublattice, with Si dimers occupying octahedral intercalation sites. Here, we report a theoretical study of this material in both bulk and monolayer form, unveiling an array of diverse properties arising from reorientations of the silicon dimers between planes of Te atoms. The band gap varies up to 30% depending on dimer orientations. The variation of dimer orientations gives rise to thermal contraction, arising from more dimers aligning out of the plane as the material is heated. Here, strain also affects the dimer orientations and provides a degree of control of the materials properties, making Si 2 Te 3 a promising candidate for nanoscale mechanical, optical, and memristive devices.

36 MATERIALS SCIENCE↗

Degradation and annealing effects caused by oxygen in AlGaN/GaN high electron mobility transistors

Hot-carrier degradation and room-temperature annealing effects are investigated in unpassivated ammonia-rich AlGaN/GaN high electron mobility transistors. Devices exhibit a fast recovery when annealed after hot carrier stress with all pins grounded. The recovered peak transconductance can exceed the original value, an effect that is not observed in control passivated samples. Density functional theory calculations suggest that dehydrogenation of pre-existing O{sub N}-H defects in AlGaN plays a significant role in the observed hot carrier degradation, and the resulting bare O{sub N} can naturally account for the “super-recovery” in the peak transconductance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Prediction of Giant Thermoelectric Efficiency in Crystals with Interlaced Nanostructure

We present a theoretical study of the thermoelectric efficiency of “interlaced crystals”, recently discovered in hexagonal-CuInS2 nanoparticles. Interlaced crystals are I–III–VI 2 or II-IV-V 2 tetrahedrally bonded compounds. They have a perfect Bravais lattice in which the two cations have an infinite set of possible ordering patterns within the cation sublattice. The material comprises nanoscale interlaced domains and phases with corresponding boundaries. Here we employ density functional theory and large-scale molecular dynamics calculations based on model classical potentials to demonstrate that the phase and domain boundaries are effective phonon scatterers and greatly suppress thermal conductivity. However, the absence of both structural defects and strain in the interlaced material results in a minimal effect on electronic properties. Here, we predict an increase of thermal resistivity of up to 2 orders of magnitude, which makes interlaced crystals an exceptional candidate for thermoelectric applications.

density functional theory↗

Correlation between magnetism and “dark stripes” in strained La{sub 1−x}Sr{sub x}CoO{sub 3} epitaxial films (0 ≤ x ≤ 0.1)

Using the technique of aberration-corrected scanning transmission electron microscopy, we performed a systematic analysis for the atomic lattice of the strained La{sub 1−x}Sr{sub x}CoO{sub 3} (0 ≤ x ≤ 0.1) epitaxial films, which have drawn a great attention in recent years because of their anomalous magnetism. Superstructures characterized by dark stripes are observed in the lattice image, evolving with combined Sr-doping and lattice strains. Fascinatingly, we found a close relation between the proportion of the Co ions in dark stripes and the saturation magnetization of the film: the latter grows linearly with the former. This result implies that the magnetism could be exclusively ascribed to the Co ions in dark stripes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗