Miracle-dz/UniFAR-FTUs huggingface dataset:
TENSILE FAILURE OF SINGLE-CRYSTAL AND NANOCRYSTALLINE LENNARD-JONES SOLIDS UNDER UNIAXIAL STRAIN

We investigate using molecular dynamics, the tensile failure of single-crystal and nanocrystalline Lennard-Jones solids under uniaxial strain. Stresses are relaxed by plasticity and tensile failure, which are induced via stacking faults, twin planes, void nucleation and growth, and their interactions. Stacking faults and twin planes as well as multiple nanovoids are nucleated at grain boundaries in a nanocrystalline solid. Void formation is characterized by under-coordinated atoms with coordination number ≤ 7, and the critical void size is comparable to a vacancy. For a single crystal, the number of stacking faults and twin planes decreases during failure mostly due to the absorption by nanovoids. In contrast, it increases with strain monotonically for a nanocrystalline solid, where abundant grain boundaries help the nucleation and deter the propagation and absorption of the stacking faults and twin planes, inducing effective dislocation pile-ups at grain boundaries even in the presence of nanovoids.
Rifle carriage affects gear distribution during on-snow skiing in female and male biathletes

ABSTRACT The aim was to investigate whether rifle carriage affects gear distribution during on-snow skiing in highly-trained biathletes, and whether there were any associated sex differences. Twenty-eight biathletes (11 women, 17 men) skied a 2230-m lap at competition speed twice, one lap with the rifle (WR) and the other lap without the rifle (NR). The biathletes wore a portable 3D-motion analysis system while skiing, which enabled characterisation of distance and time in different gears. Skiing WR increased lap time compared to NR (412 (90) vs. 395 (91) s, p < 0.001). The biathletes used gear 2 to a greater extent WR compared to NR (distance: 413 ± 139 vs. 365 ± 142 m; time: 133 (95) vs. 113 (86) s; both p < 0.001) and gear 3 less (distance: 713 ± 166 vs. 769 ± 182 m, p < 0.001; time: 141 ± 33 vs. 149 ± 37 s, p = 0.008), with similar patterns for women and men. Differences between WR and NR in the use of gears 3 and 2 were more extensive for moderate compared to steeper uphill terrain. Rifle carriage increased the use of gear 2, which was negatively associated with performance. Therefore, preparing biathletes to be able to cover more distance in gear 3 WR, especially in moderate uphill terrain, may improve biathlon skiing performance.
Theoretical and experimental investigations on rectangular dielectric resonator antennas

Theoretical and experimental investigations on rectangular dielectric resonator antennas having a value of /spl epsiv//sub r/, in the range of 10 to 100 are reported. The resonant frequencies and radiation Q-factors of the lowest order "magnetic-dipole" modes are derived on the basis of a first-order theory. The accuracy of the model in predicting the resonant frequency and radiation Q-factor is verified by comparison with results of a rigorous theory and experiments. Various feeds for the antennas such as probe, microstrip slot, and microstrip line are described. Measured radiation patterns are shown and the effect of feed and mode degeneracy on the cross-polarisation levels is discussed.
The Effect of Medical Cooperation in the CKD Patients: 10-Year Multicenter Cohort Study

Introduction: While chronic kidney disease (CKD) is one of the most important contributors to mortality from non-communicable diseases, the number of nephrologists is limited worldwide. Medical cooperation is a system of cooperation between primary care physicians and nephrological institutions, consisting of nephrologists and multidisciplinary care teams. Although it has been reported that multidisciplinary care teams contribute to the prevention of worsening renal functions and cardiovascular events, there are few studies on the effect of a medical cooperation system. Methods: We aimed to evaluate the effect of medical cooperation on all-cause mortality and renal prognosis in patients with CKD. One hundred and sixty-eight patients who visited the one hundred and sixty-three clinics and seven general hospitals of Okayama city were recruited between December 2009 and September 2016, and one hundred twenty-three patients were classified into a medical cooperation group. The outcome was defined as the incidence of all-cause mortality, or renal composite outcome (end-stage renal disease or 50% eGFR decline). We evaluated the effects on renal composite outcome and pre-ESRD mortality while incorporating the competing risk for the alternate outcome into a Fine–Gray subdistribution hazard model. Results: The medical cooperation group had more patients with glomerulonephritis (35.0% vs. 2.2%) and less nephrosclerosis (35.0% vs. 64.5%) than the primary care group. Throughout the follow-up period of 5.59 ± 2.78 years, 23 participants (13.7%) died, 41 participants (24.4%) reached 50% decline in eGFR, and 37 participants (22.0%) developed end-stage renal disease (ESRD). All-cause mortality was significantly reduced by medical cooperation (sHR 0.297, 95% CI 0.105–0.835, p = 0.021). However, there was a significant association between medical cooperation and CKD progression (sHR 3.069, 95% CI 1.225–7.687, p = 0.017). Conclusion: We evaluated mortality and ESRD using a CKD cohort with a long-term observation period and concluded that medical cooperation might be expected to influence the quality of medical care in the patients with CKD.
UAV Placement for VR Reconstruction: A Tradeoff Between Resolution and Delay

Unmanned aerial vehicle (UAV) can be combined with virtual reality (VR) to collect the rapidly changing physical environment by leveraging its high flexibility, so as to provide an immersive experience for metaverse users. In this letter, we study the UAV placement problem in UAV-assisted VR systems where UAVs are deployed to capture images of ground targets and then transmit them to ground users for virtual environment reconstruction. The goal is to minimize the transmission delay while satisfying the image resolution requirement. Firstly, the UAV placement problem is formulated into a non-convex optimization problem. Then, an efficient algorithm is proposed to obtain a high-quality solution by adopting the block coordinate descent and successive convex approximation techniques with low complexity. Finally, the numerical results are provided and show that considerable benefits can be obtained with a suboptimal UAV placement. Specifically, the proposed scheme can reduce the transmission delay by over 15 ms compared to the conventional scheme when the received signal-to-noise ratio at the reference distance is $10^{6}$ and the resolution requirement is 0.5.
Crystal space analysis by means of Voronoi–Dirichlet polyhedra

The method of analysis of crystal space topology by means of Voronoi-Dirichlet tessellation is described. The possibilities of using Voronoi-Dirichlet polyhedra in the investigation of local and global geometrical/topological properties of the crystal lattice in structures of simple and complex substances are discussed. Examples of the application of the proposed method in crystal-chemical analysis are given.
ABC Transporters in Bacterial Nanomachineries

Members of the superfamily of ABC transporters are found in all domains of life. Most of these primary active transporters act as isolated entities and export or import their substrates in an ATP-dependent manner across biological membranes. However, some ABC transporters are also part of larger protein complexes, so-called nanomachineries that catalyze the vectorial transport of their substrates. Here, we will focus on four bacterial examples of such nanomachineries: the Mac system providing drug resistance, the Lpt system catalyzing vectorial LPS transport, the Mla system responsible for phospholipid transport, and the Lol system, which is required for lipoprotein transport to the outer membrane of Gram-negative bacteria. For all four systems, we tried to summarize the existing data and provide a structure-function analysis highlighting the mechanistical aspect of the coupling of ATP hydrolysis to substrate translocation.
Chaotic transport in dynamical systems

Provides a new and more realistic framework for describing the dynamics of non-linear systems. A number of issues arising in applied dynamical systems from the viewpoint of problems of phase space transport are raised in this monograph. Illustrating phase space transport problems arising in a variety of applications that can be modelled as time-periodic perturbations of planar Hamiltonian systems, the book begins with the study of transport in the associated two-dimensional Poincare Map. This serves as a starting point for the further motivation of the transport issues through the development of ideas in a non-perturbative framework with generalized references to higher dimensions as well as more general time dependence.
Current Bioinformatics Tools to Optimize CRISPR/Cas9 Experiments to Reduce Off-Target Effects

The CRISPR-Cas system has evolved into a cutting-edge technology that has transformed the field of biological sciences through precise genetic manipulation. CRISPR/Cas9 nuclease is evolving into a revolutionizing method to edit any gene of any species with desirable outcomes. The swift advancement of CRISPR-Cas technology is reflected in an ever-expanding ecosystem of bioinformatics tools designed to make CRISPR/Cas9 experiments easier. To assist researchers with efficient guide RNA designs with fewer off-target effects, nuclease target site selection, and experimental validation, bioinformaticians have built and developed a comprehensive set of tools. In this article, we will review the various computational tools available for the assessment of off-target effects, as well as the quantification of nuclease activity and specificity, including web-based search tools and experimental methods, and we will describe how these tools can be optimized for gene knock-out (KO) and gene knock-in (KI) for model organisms. We also discuss future directions in precision genome editing and its applications, as well as challenges in target selection, particularly in predicting off-target effects.
Smart River Water Quality and Level Monitoring: a Hybrid Neural Network Approach

River water plays an important role in every metropolitan society; it contributes significantly to the production of agricultural products and hence to the economy of a country besides offering many other benefits. Therefore, river water monitoring is necessary though difficult. The goal of this research is to create a quantitative technique for assessing the water quality state of the Indian rivers in the southern part of India. Water test samples were obtained at three distinct places along the Kaveri River for this study. The water level information was retrieved from the photos using a hybrid method (a combination of convolutional neural network and long short-term memory network) called CNN-LSMN. The level points were measured using the field camera placed in the test locations. The following six typical metrics were used to assess the water quality: turbidity, temperature, pH, TDS, conductivity, and total hardness. In this study, the water quality index (WQI) of the modified National Sanitation Foundation (NSF) was used to determine the quality of water. Furthermore, the flower pollination optimization method was used to optimise the critical water quality indicators. Standard performance metrics were used to compare the performance of the proposed approach with that of the existing techniques. Upon comparing the performance of the suggested CNN-LSMN in terms of performance measures, it was found that the detection accuracy had improved and it was 4.62%. The proposed technique in this study was found to be beneficial for precisely estimating the water level and quality of the rivers.
Forward Private Verifiable Dynamic Searchable Symmetric Encryption With Efficient Conjunctive Query

Dynamic searchable symmetric encryption (DSSE) allows efficient searches over encrypted databases and also supports clients in their updating of the data, such as those stored in a remote cloud server. However, recent attacks suggest the risk of leakage during such updates, which consequently impacts on the privacy of the queries. In addition, existing DSSE schemes that support forward privacy generally rely on the honest-but-curious server and support only single-keyword retrieval, which limits the application scenarios. In this paper, we present the design of a verifiable DSSE protocol, which supports efficient conjunctive query with forward privacy. In our scheme, the forward index is constructed by a novel form, i.e., <inline-formula><tex-math notation="LaTeX">$ t$</tex-math><alternatives><mml:math><mml:mi>t</mml:mi></mml:math><inline-graphic xlink:href="choo-ieq1-3262060.gif"/></alternatives></inline-formula>-puncturable PRFs, and the authentication tag is designed by symmetric cryptography. During conjunctive queries, we narrow the scope by an inverted index, and then we determine the results of the final query through the forward index. Meanwhile, we can use verification tag to check the correctness and completeness of the result. In addition, we present an extension to support backward privacy, and our experimental evaluations show that our proposed approach achieves better performance on both conjunctive queries and updates than other competing solutions and ensures efficient verification.
AKPAVF: an Automatic Kernel Patch Applying and Verification Framework based on Virtualization

The defects or vulnerabilities become inevitable for the Linux operating system kernel for its complexity and huge amount of codes. Meanwhile, it has always been a challenging task of patching and repairing a kernel vulnerability for the great cost of labor, resources and time. How to improve the efficiency of locating and repairing kernel vulnerabilities has become a focus. There are some contributions on automatic vulnerability locating and patch generating methods, however, the efficient method of repairing vulnerabilities is still in its infancy, especially for the problems of automatic kernel repair and patch generation. Focusing on the improvement of the automation of kernel vulnerability management, this paper proposes AKP A VF: An Automatic Kernel Patch Applying and Verification Framework based on virtualization. It designs a patch generation algorithm to enable the generation of kernel vulnerability patch set based on the vulnerability patch library, and performs the automatic patch applying and verification process based on KVM virtualization technology. The experimental verification shows that our work improves the automatic repair ability of operating system kernel vulnerabilities, reduces the manual intervention process, and improves the efficiency of patch verification.
IVSA: Facial Expression Recognition Method with Salient Attention

Recently, facial expression recognition (FER) has become an important topic in computer vision research. With the advance of artificial intelligence, the performance of model about FER has made great progress and improvement. To further enhance the ability of extracting significant features and enhancing the robustness of the model, we present a innovative facial expression recognition framework based on convolutional neural network and attention module. Concretely, we add the L2 norm features in CBAM and re-scale the channel weights. Salient attention block is used to suppress the insignificant feature and enhance the weight of salient features, which improves the performance and robustness of the model. Finally, without using extra training data, IVSA achieves the highest single-model accuracy of 72.44%, which is improved by 1.14% compared with the previous methods. Extensive experiments prove the effectiveness of the model and framework.
Identification of Potential Lead Compounds Targeting Novel Druggable Cavity of SARS-CoV-2 Spike Trimer by Molecular Dynamics Simulations

The global pandemic of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has become an urgent public health problem. Spike (S) protein mediates the fusion between the virus and the host cell membranes, consequently emerging as an important target of drug design. The lack of comparisons of in situ full-length S homotrimer structures in different states hinders understanding the structures and revealing the function, thereby limiting the discovery and development of therapeutic agents. Here, the steady-state structures of the in situ full-length S trimer in closed and open states (Sclosed and Sopen) were modeled with the constraints of density maps, associated with the analysis of the dynamic structural differences. Subsequently, we identified various regions with structure and property differences as potential binding pockets for ligands that promote the formation of inactive trimeric protein complexes. By using virtual screening strategy and a newly defined druggable cavity, five ligands were screened with potential bioactivities. Then molecular dynamic (MD) simulations were performed on apo protein structures and ligand bound complexes to reveal the conformational changes upon ligand binding. Our simulation results revealed that sulforaphane (SFN), which has the best binding affinity, could inhibit the conformational changes of S homotrimer that would occur during the viral membrane fusion. Our results could aid in the understanding of the regulation mechanism of S trimer aggregation and the structure-activity relationship, facilitating the development of potential antiviral agents.
Cometary x-rays: line emission cross sections for multiply charged solar wind ion charge exchange

Absolute line emission cross sections are presented for 1 keV amu−1 charge-exchange collisions of multiply charged solar wind ions with H2O. These cross sections can be used to model charge-exchange processes with cometary targets with similar binding energies such as H, O, CO2 and CO. A parameter-free model is used to successfully predict the recently observed x-ray spectra of comet Linear C/1999 S4 and McNaught-Hartley C/1999 T1. We show that the resulting spectrum is extremely sensitive to the time variations of the solar wind composition.
Skin Autofluorescence Mirrors Surrogate Parameters of Vascular Aging: An Enable Study

Advanced glycation end-products (AGEs) are implicated in vascular aging due to their pro-inflammatory properties. Skin autofluorescence (SAF) is a measure to estimate their deposition. It is an easily quantifiable marker that has been shown to correlate with cardiovascular risk and parameters of metabolic diseases. Herein, we compared skin autofluorescence with other techniques indicating increased cardiovascular diseases, namely, pulse wave velocity (PWVao) and intima–media thickness (IMT). We also studied the impacts of other parameters in deeply phenotyped cohorts of young, middle-aged, and older individuals. SAF, aortic PWVao, and IMT proved to be significantly correlated with each other and with age. However, based on a moderator analysis, we could not show that these associations were affected by age. Some specific parameters such as creatinine and CRP were found to be significantly associated with skin AGE values after adjusting for confounding variables. In conclusion, SAF is a simple screening tool for vascular health with comparable power to more elaborated technical tests.
Most probable mode derivation for multi-view texture map

The versatile video coding (VVC) [1] standard has doubled the number of intra prediction modes and MPM modes in the picture compared to the previous standard, High Efficiency Video Coding (HEVC) [2]. The most probable mode (MPM) is used to efficiently encode the intra prediction mode based on the neighboring intra-coded blocks. The VVC improves the compression performance by increasing the number of intra prediction mode and MPM candidates as the resolution of the video increases, but the texture map may be inefficient because the characteristics of the texture map are different from the general image. In this paper, we propose the efficient MPM candidate derivation on the Truncated Signed Distance Field (TSDF) [3] volume-based mesh property (texture map) for multi-view images. The proposed method shows 0.92% BD-rate performance gain for luma component in the random-access configuration [4].
Calculation of background effects on the VESUVIO eV neutron spectrometer

The VESUVIO spectrometer at the ISIS pulsed neutron source measures the momentum distribution n(p) of atoms by ‘neutron Compton scattering’ (NCS). Measurements of n(p) provide a unique window into the quantum behaviour of atomic nuclei in condensed matter systems. The VESUVIO 6Li-doped neutron detectors at forward scattering angles were replaced in February 2008 by yttrium aluminium perovskite (YAP)-doped γ-ray detectors. This paper compares the performance of the two detection systems. It is shown that the YAP detectors provide a much superior resolution and general performance, but suffer from a sample-dependent gamma background. This report details how this background can be calculated and data corrected. Calculation is compared with data for two different instrument geometries. Corrected and uncorrected data are also compared for the current instrument geometry. Some indications of how the gamma background can be reduced are also given.
Modeling and observations of modal structure in antiguided VCSEL array

Modal behavior of a 2-D (square lattice geometry) antiguided vertical cavity surface emitting laser (VCSEL) array was studied by 3-D bi-directional beam propagation method. Above threshold operation of leaky modes was simulated using multiple iterations. Besides, a method based on functions of Krylov’s subspace, was developed to find a number of array optical modes in a VCSEL array with gain and index distributions established by the oscillating mode. In calculations, both Fourier and space variable descriptions of beam propagation were combined. The FFT technique was used for calculations of the Fourier image and the original. Conditions are found for favorable lasing of the in-phase mode providing high laser beam quality. Experimentally realized 5x5 laser array was studied numerically. The 2-D antiguided array results from shifting the cavity resonance between the element and inter-element regions and is fabricated by selective chemical etching and two-step metalorganic chemical vapor deposition (MOCVD) growth. In-phase and out-of-phase array mode operation is observed from top-emitting rectangular arrays as large as 400 elements, depending on the inter-element width, in good agreement with theory.