Evaluation of ambipolar carrier mobility in alkyl-substituted phthalocyanine thin film

Yuki Nishikawa, Yuya Nakata, Shigehiro Ikehara, Akihiko Fujii, and Masanori Ozaki "Evaluation of ambipolar carrier mobility in alkyl-substituted phthalocyanine thin film," Journal of Photonics for Energy 8(3), 032214 (15 May 2018). DOI: https://doi.org/10.1117/1.JPE.8.03221

Deep variational quantum eigensolver for excited states and its application to quantum chemistry calculation of periodic materials

A programmable quantum device that has a large number of qubits without fault-tolerance has emerged recently. Variational quantum eigensolver (VQE) is one of the most promising ways to utilize the computational power of such devices to solve problems in condensed matter physics and quantum chemistry. As the size of the current quantum devices is still not large for rivaling classical computers at solving practical problems, Fujii et al. proposed a method called “Deep VQE”, which can provide the ground state of a given quantum system with the smaller number of qubits by combining the VQE and the technique of coarse graining [K. Fujii, K. Mitarai, W. Mizukami, and Y. O. Nakagawa, arXiv:2007.10917]. In this paper, we extend the original proposal of Deep VQE to obtain the excited states and apply it to quantum chemistry calculation of a periodic material, which is one of the most impactful applications of the VQE. We first propose a modified scheme to construct quantum states for coarse graining in Deep VQE to obtain the excited states. We also present a method to avoid a problem of meaningless eigenvalues in the original Deep VQE without restricting variational quantum states. Finally, we classically simulate our modified Deep VQE for quantum chemistry calculation of a periodic hydrogen chain as a typical periodic material. Our method reproduces the ground-state energy and the first-excited-state energy with the errors up to O(1)% despite the decrease in the number of qubits required for the calculation by two or four compared with the naive VQE. Our result will serve as a beacon for tackling quantum chemistry problems with classically-intractable sizes by smaller quantum devices in the near future

Charge-Order Pattern of the Low-Temperature Phase of NaV2O5 Uniquely Determined by Resonant X-Ray Scattering from Monoclinic Single Domain

The present resonant x-ray scattering from each of monoclinically-split single domains of NaV2O5 has critically enhanced contrast between V4+ and V5+ ions strong enough to lead to unambiguous conclusion of the charge-order pattern of its low-temperature phase below Tc = 35 K. The zig-zag type charge-order patterns in the $ab$-plane previously confirmed have four kinds of configurations (A, A', B and B') and the stacking sequence along the c-axis is determined as the AAA'A' type by comparison with model calculations. By assigning the A and A' configurations to Ising spins, one can reasonably understand the previously discovered "devil's staircase"-type behavior with respect to the modulation of the layer-stacking sequences at high pressures and low temperatures, which very well resembles the global phase diagram theoretically predicted by the ANNNI model.Comment: 4 pages, 3 figure

RELIABILITY AND VALIDITY OF A DEEP LEARNING ALGORITHM BASED MARKERLESS MOTION CAPTURE SYSTEM IN MEASURING SQUATS

This study aimed to compare the performance of a traditional marker-based motion capture system and a video-based markerless system in analyzing squats and to determine the reliability and validity of the markerless system. Twenty-one squats were recorded using a marker-based motion capture system and a 2D video camera. We analyzed the 2D video data using Sportip Motion 3D, a deep learning-based 3D human pose estimation algorithm based specifically on sports activities, and the peak lower limb joint angles were calculated by both systems. There was an excellent agreement between VICON and Sportip Motion 3D for all joint angles (hip intraclass correlation coefficient (ICC) = 0.96, knee ICC = 0.92, ankle ICC = 0.86), with average differences of less than 1.3°. These results indicate that squat analysis using Sportip Motion 3D is equally reliable and accurate as the conventional marker-based method

Effect of Lubrication and Forging Load on Surface Roughness, Residual Stress, and Deformation of Cold Forging Tools

Cold forging is a metal forming that which uses localized compressive force at room temperature. During the cold forging process, the tool is subjected to extremely high loads and abrasive wear. Lubrication plays an important role in cold forging to improve product quality and tool life by preventing direct metallic contact. Surface roughness and residual stress also greatly affects the service life of a tool. In this study, variations in surface roughness, residual stress, and specimen deformation with the number of cold forging cycles were investigated under different forging conditions. Specimens that were made of heat-treated SKH51 (59-61 HRC), a high-speed tool steel with a polished working surface, were used. The specimens were subjected to an upsetting process. Compressive residual stress, surface roughness, and specimen deformation showed a positive relationship with the number of forging cycles up to a certain limit and became almost constant in most of the forging conditions. A larger change in residual stress and surface roughness was observed at the center of the specimens in all the forging conditions. The effect of the magnitude of the forging load on the above discussed parameters is large when compared to the effect of the lubrication conditions

A giraffe neck sign of the medial meniscus: A characteristic finding of the medial meniscus posterior root tear on magnetic resonance imaging

BACKGROUND: The posterior root ligament of the medial meniscus (MM) has a critical role in regulating the MM movement. An accurate diagnosis of the MM posterior root tear (MMPRT) using magnetic resonance imaging (MRI) is important for preventing sequential osteoarthritis following the MMPRT. However, diagnosis of the MMPRT is relatively difficult even after using several characteristic MRI findings. The aim of this study was to identify a useful meniscal body sign of the MMPRT for improving diagnostic MRI reading. METHODS: Eighty-five patients who underwent surgical treatments for the MMPRT (39 knees) and other types of MM tears (49 knees) were included. The presence of characteristic MRI findings such as cleft sign, ghost sign, radial tear sign, medial extrusion sign, and new meniscal body shape-oriented "giraffe neck sign" was evaluated in 120 MRI examinations. RESULTS: Giraffe neck signs were observed in 81.7% of the MMPRTs and in 3.3% of other MM tears. Cleft, ghost, and radial tear signs were highly positive in the MMPRTs compared with other MM tears. Medial extrusion signs were frequently observed in both groups. Coexistence rates of any 2 MRI signs, except for medial extrusion sign, were 91.7% in the MMPRT group and 5% in other MM tears. CONCLUSIONS: This study demonstrated that a new characteristic MRI finding "giraffe neck sign" was observed in 81.7% of the MMPRT. Our results suggest that the combination of giraffe neck, cleft, ghost, and radial tear signs may be important for an accurate diagnostic MRI reading of the MMPRT