NF-GAT: A Node Feature-Based Graph Attention Network for ASD Classification.

Goal: The purpose of this paper is to recognize autism spectrum disorders (ASD) using graph attention network. Methods: we propose a node features graph attention network (NF-GAT) for learning functional connectivity (FC) features to achieve ASD diagnosis. Firstly, node features are modelled based on functional magnetic resonance imaging (fMRI) data, with each subject modelled as a graph. Next, we use the graph attention layer to learn the node features and gets the node information of different nodes for ASD classification. Results: Compared with other models, the NF-GAT has significant advantages in terms of classification results. Conclusions: NF-GAT can be effectively used for ASD classification.

Characteristics and Statistical Analysis of Large and above Hazardous Chemical Accidents in China from 2000 to 2020.

To investigate the occurrence and development pattern of large-scale hazardous chemicals emergencies, a statistical analysis of 195 large and above accidents of hazardous chemicals in China during 2000-2020 was conducted. A general description of the characteristics of larger and above accidents based on statistical data was analyzed, and then the system risk of the hazardous chemical industry was calculated and evaluated by the entropy weight method and the TOPSIS method comprehensively. Results show that: (1) The geographical distribution of large and above hazardous chemical accidents (LAHCA) varies significantly; (2) The high-temperature season has high probabilities of having large and above accidents; (3) Human factors and management factors are the main causes of LAHCA; (4) During the period from 2000 to 2020, due to the rapid development of the chemical industry, the overall risk of accidents involving hazardous chemicals were upswing accompanied by volatility, and the risk of serious accidents remains high. The development history of safety regulations in China's hazardous chemical sector and the industry's projected course for future growth were then discussed. Finally, based on the findings of the aforementioned statistics and research, specific recommendations were provided for the safety management of the hazardous chemical sector. This study expects to provide a practical and effective reference for the construction of safety management as well as accident prevention in the hazardous chemical industry.

Singlet-Triplet Excitations and Long-Range Entanglement in the Spin-Orbital Liquid Candidate FeSc2S4.

Theoretical models of the spin-orbital liquid (SOL) FeSc2S4 have predicted it to be in close proximity to a quantum critical point separating a spin-orbital liquid phase from a long-range ordered magnetic phase. Here, we examine the magnetic excitations of FeSc2S4 through time-domain terahertz spectroscopy under an applied magnetic field. At low temperatures an excitation emerges that we attribute to a singlet-triplet excitation from the SOL ground state. A threefold splitting of this excitation is observed as a function of applied magnetic field. As singlet-triplet excitations are typically not allowed in pure spin systems, our results demonstrate the entangled spin and orbital character of singlet ground and triplet excited states. Using experimentally obtained parameters we compare to existing theoretical models to determine FeSc2S4's proximity to the quantum critical point. In the context of these models, we estimate the characteristic length of the singlet correlations to be ξ/(a/2)≈8.2 (where a/2 is the nearest neighbor lattice constant), which establishes FeSc2S4 as a SOL with long-range entanglement.

A broadband microwave Corbino spectrometer at ³He temperatures and high magnetic fields.

We present the technical details of a broadband microwave spectrometer for measuring the complex conductance of thin films covering the range from 50 MHz up to 16 GHz in the temperature range 300 mK-6 K and at applied magnetic fields up to 8 T. We measure the complex reflection from a sample terminating a coaxial transmission line and calibrate the signals with three standards with known reflection coefficients. Thermal isolation of the heat load from the inner conductor is accomplished by including a section of NbTi superconducting cable (transition temperature around 8-9 K) and hermetic seal glass bead adapters. This enables us to stabilize the base temperature of the sample stage at 300 mK. However, the inclusion of this superconducting cable complicates the calibration procedure. We document the effects of the superconducting cable on our calibration procedure and the effects of applied magnetic fields and how we control the temperature with great repeatability for each measurement. We have successfully extracted reliable data in this frequency, temperature, and field range for thin superconducting films and highly resistive graphene samples.

Resonant x-ray diffraction spectrum for possible structures of the smectic liquid crystal phase with a six-layer periodicity.

With the discovery of the smectic-C(d6)(*) (SmC(d6)(*)) phase showing six-layer periodicity [S. Wang et al., Phys. Rev. Lett. 104, 027801 (2010)] and a recent report of the observation of a possible alternative structure, the need for a reliable and accurate method for distinguishing different possible structures is more urgent than ever. Through simulations using the tensorial structure factor method, we present the resonant x-ray diffraction (RXRD) spectra for different possible structures as proposed in several theoretical studies. Subtle distinctions between models are shown. The ability and limitations of RXRD as a technique for determining the structure of this particular phase is discussed.

Low-energy electrodynamics of novel spin excitations in the quantum spin ice Yb2Ti2O7.

In condensed matter systems, formation of long-range order (LRO) is often accompanied by new excitations. However, in many geometrically frustrated magnetic systems, conventional LRO is suppressed, while non-trivial spin correlations are still observed. A natural question to ask is then what is the nature of the excitations in this highly correlated state without broken symmetry? Frequently, applying a symmetry breaking field stabilizes excitations whose properties reflect certain aspects of the anomalous state without LRO. Here we report a THz spectroscopy study of novel excitations in quantum spin ice Yb2Ti2O7 under a <001> directed magnetic field. At large positive fields, both right- and left-handed magnon and two-magnon-like excitations are observed. The g-factors of these excitations are dramatically enhanced in the low-field limit, showing a crossover of these states into features consistent with the quantum string-like excitations proposed to exist in quantum spin ice in small <001> fields.

Optical birefringence and dichroism of cuprate superconductors in the THz regime.

The presence of optical polarization anisotropies, such as Faraday or Kerr effects, linear birefringence, and magnetoelectric birefringence are evidence for broken symmetry states of matter. The recent discovery of a Kerr effect using near-IR light in the pseudogap phase of the cuprates can be regarded as a strong evidence for a spontaneous symmetry breaking and the existence of an anomalous long-range ordered state. In this work we present a high precision study of the polarimetry properties of the cuprates in the THz regime. While no Faraday effect was found in this frequency range to the limits of our experimental uncertainty (1.3 milli-radian or 0.07°), a small but significant polarization rotation was detected that derives from an anomalous linear dichroism. In YBa2Cu3Oy the effect has a temperature onset that mirrors the pseudogap temperature T* and is enhanced in magnitude in underdoped samples. In x=1/8 La2-xBaxCuO4, the effect onsets above room temperature, but shows a dramatic enhancement near a temperature scale known to be associated with spin- and charge-ordered states. These features are consistent with a loss of both C4 rotation and mirror symmetry in the electronic structure of the CuO2 planes in the pseudogap state.

Spontaneous and field-induced mesomorphism of a silyl-terminated bent-core liquid crystal as determined from second-harmonic generation and resonant X-ray scattering.

The polarity and structure of the phases of a liquid crystal constituted by thiophene-based bent-core molecules is investigated by means of optical second-harmonic generation (SHG), and resonant and conventional X-ray diffraction. The material studied is representative of a wide family of mesogens that contain silyl groups at the ends of the chains. These bulky terminal groups have been reported to give rise to smectic phases showing ferroelectric switching. However, the analysis of the SHG signal before and after application of electric fields has allowed us to establish unambiguously that the reported ferroelectricity is not intrinsic to the material but stabilized by the cell substrates once an electric field has been applied. In addition, the results obtained from resonant X-ray diffraction indicate that virgin samples have antiferroelectric undulated synclinic smectic structures.

Microwave spectroscopy evidence of superconducting pairing in the magnetic-field-induced metallic state of InO(x) films at zero temperature.

We investigate the field-tuned quantum phase transition in a 2D low-disorder amorphous InO(x) film in the frequency range of 0.05 to 16 GHz employing microwave spectroscopy. In the zero-temperature limit, the ac data are consistent with a scenario where this transition is from a superconductor to a metal instead of a direct transition to an insulator. The intervening metallic phase is unusual with a small but finite resistance that is much smaller than the normal state sheet resistance at the lowest measured temperatures. Moreover, it exhibits a superconducting response on short length and time scales while global superconductivity is destroyed. We present evidence that the true quantum critical point of this 2D superconductor metal transition is located at a field B(sm) far below the conventionally defined critical field B(cross) where different isotherms of magnetoresistance cross each other. The superfluid stiffness in the low-frequency limit and the superconducting fluctuation frequency from opposite sides of the transition both vanish at B≈B(sm). The lack of evidence for finite-frequency superfluid stiffness surviving B(cross) signifies that B(cross) is a crossover above which superconducting fluctuations make a vanishing contribution to dc and ac measurements.

Resonant x-ray diffraction study of an unusually large phase coexistence in smectic liquid-crystal films.

The recent discovery of the new smectic-C(d6)(*) (SmC(d6)(*)) phase [S. Wang et al., Phys. Rev. Lett. 104, 027801 (2010)] also revealed the existence of a noisy region in the temperature window between the SmC(d6)(*) phase and the smectic-C(d4)(*) (SmC(d4)(*)) phase. Characterized by multiple resonant peaks spanning a wide region in Q(Z), the corresponding structure of this temperature window has been a mystery. In this Letter, through a careful resonant x-ray diffraction study and simulations of the diffraction spectra, we show that this region is in fact an unusually large coexistence region of the SmC(d6)(*) phase and the SmC(d4)(*) phase. The structure of the noisy region is found to be a heterogeneous mixture of local SmC(d6)(*) and SmC(d4)(*) orders on the sub-µm scale.

Surface-surface interaction in smectic liquid crystal films.

Null transmission ellipsometry was employed to study the field induced transition of the surface arrangements in freestanding films of smectic liquid crystals. The interlayer interaction between the two surfaces obtained from the threshold voltage for the transition is found to be antiferroelectric and is quasilong ranged. The possible microscopic origins of the measured interaction and its relevance to the interlayer interaction in antiferroelectric liquid crystal materials are discussed.

Surface-aligning field in smectic liquid-crystal films.

Two modified mean-field J(1)-J(2) models are studied to explain the surface reduction of twisting power in the helical smectic-C*(α) phase in free-standing liquid crystal films. Profiles of the surface interlayer interaction are calculated from the experimental results. The calculations reveal the existence of a strong surface field and indicate that the surface field is the reason for the observed reduced twisting power near the surface region. Our results provide a quantitative study of the interlayer interactions through surface effects in smectic liquid crystals.

Polarization periodicity in the B(1) columnar phase determined by resonant x-ray scattering.

We report structural results that evidence the polarization distribution of the blocks in the columnar phase of an achiral bent-core liquid crystal. The study was performed using resonant x-ray diffraction at the sulfur K edge on oriented samples aligned on substrates. The extra periodicity is revealed through the violation of the systematic extinction rule of the structural symmetry group along the experimentally accessible diffraction direction. Further data obtained from the polarization analysis of a resonant reflection give information concerning the transition mechanism between B(1) and B(2) phases.

Characterization of a chiral phase in an achiral bent-core liquid crystal by polarization studies of resonant x-ray forbidden reflections.

The chiral antiferroelectric structure of an achiral bent-core liquid crystal is characterized by resonant x-ray scattering at chlorine K edge. The "forbidden" reflections resulting from the glide or screw symmetry elements are restored by the anisotropy of the tensor structure factor, which we calculate for two possible structural models. A careful analysis of the polarization states of the restored "forbidden" reflections enables an unambiguous identification of a chiral structure (i.e., the so-called anticlinic, antiferroelectric smectic-C or Sm-C(A)P(A)) coexisting with the achiral synclinic antiferroelectric smectic-C or Sm-C(S)P(A). The method proves to be quite powerful as it identifies the chiral structure within coexisting phases despite an imperfect orientation of the sample. The volume fraction of the chiral phase and the distribution of alignment are extracted from the data.

Effect of enantiomeric excess on the phase behavior of antiferroelectric liquid crystals.

Null transmission ellipsometry and resonant x-ray diffraction are employed to study the effect of enantiomeric excess (EE) on the phase behavior of antiferroelectric liquid crystal 10OTBBB1M7. Phase sequence, layer spacing, and pitch of the helical structures of the smectic-C(α)* and smectic-C* phases are studied as a function of temperature and EE. Upon reducing EE, a liquid-gas-type critical point of the smectic-C(α)* to smectic-C* transition is observed, as well as the disappearance of the smectic-C(d4)* and the smectic-C(d3)* phases. Results are analyzed in a mean-field model.

Surface-induced reduction of twisting power in liquid-crystal films.

Null transmission ellipsometry was employed to study the temperature evolution of the helical structure of the smectic-C(α)* phase. Free-standing films with thickness ranging from 31 to more than 400 layers were prepared and studied. The experimental results show a reduced twisting power in thin films. A simple model was constructed to explain the results. Surface effects were found to be the key reason for this phenomenon. Our findings are consistent with the theoretical studies of helically ordered magnetic films.

Surface and bulk uniaxial to biaxial smectic-A transition in a bent core liquid crystal.

A null transmission ellipsometer was employed to study the uniaxial to biaxial smectic-A phase transition of a bent core liquid crystal material. Free-standing films of thicknesses ranging from 5 molecular layers to more than 300 were prepared and studied. Critical exponents for both the surface and interior biaxiality were obtained. The results were discussed in the general framework of phase transition in lower dimensions.

Evolution of a rare sequence of surface transitions with temperature and film thickness.

In free-standing smectic films, layers near the surfaces of the film often contain molecules tilted away from the layer normal, while in the bulk of the film the magnitude of the tilt decays exponentially with distance from the surface. We have identified the detailed molecular tilt orientations in the surface layers of films for one antiferroelectric liquid crystal compound. A series of five surface structures exists with different nonplanar tilt arrangements for each structure. The molecular orientations in the surface layers evolve with temperature. The polarization of the film also evolves with temperature, corresponding to the tilt arrangements. Using ellipsometric data, we reconstruct the changes in the magnitude and azimuthal direction of the tilt as functions of temperature. We have also studied films of several different thicknesses. We present a phase diagram for the five surface structures showing the dependence on temperature and film thickness.

Discovery of a novel smectic-C{*} liquid-crystal phase with six-layer periodicity.

We report the discovery of a new smectic-C{*} liquid-crystal phase with six-layer periodicity by resonant x-ray diffraction. Upon cooling, the new phase appears between the SmC{alpha}{*} phase having a helical structure and the SmC{d4}{*} phase with four-layer periodicity. This SmC{d6}{*} phase was identified in two mixtures which have an unusual reversed SmC{d4}{*}-SmC{*} phase sequence. The SmC{d6}{*} phase shows a distorted clock structure. Three theoretical models have predicted the existence of a six-layer phase. However, our experimental findings are not consistent with the theories.

Thickness dependent phase behavior of antiferroelectric liquid crystal films.

Free standing films of a liquid crystal compound with simple surface enhanced order were studied. The resultant phase diagram demonstrates that (1) the short helical pitch smectic-C(alpha)* phase disappears below a film thickness of 10 layers, and (2) the temperature window of a distorted 4 layer smectic-C(FI2)* phase increases dramatically upon decreasing film thickness. The experimental findings were attributed to the reduced dimensionality and enhanced surface effects in thin films. The results of the smectic-C(alpha)* phase are consistent with what have been reported for helically ordered magnetic thin films, with a noticeable difference due to the opposite effect of the surface on ordering in the two systems.