Electronic, dielectric and optical properties of two dimensional and bulk ice: a multi-scale simulation study

The intercalated water into nanopores exhibits anomalous properties such as ultralow dielectric constant.~Multi-scale modeling and simulations are used to investigate the dielectric properties of various crystalline two-dimensional ices and bulk ices. Although, the structural properties of two-dimensional (2D-) ices have been extensively studied, much less is known about their electronic and optical properties. First, by using density functional theory (DFT) and density functional perturbation theory (DFPT), we calculate the key electronic, optical and dielectric properties of 2D-ices. Performing DFPT calculations, both the ionic and electronic contributions of the dielectric constant are computed. The in-plane electronic dielectric constant is found to be larger than the out-of-plane dielectric constant for all the studied 2D-ices. The in-plane dielectric constant of the electronic response is found to be isotropic for all the studied ices. Secondly, we determined the dipolar dielectric constant of 2D-ices using molecular dynamics simulations (MDS) at finite temperature. The total out-of-plane dielectric constant is found to be larger than 2 for all the studied 2D-ices. Within the framework of the random-phase approximation (RPA), the absorption energy ranges for 2D-ices are found to be in the ultraviolet spectra. For the comparison purposes, we also elucidate the electronic, dielectric and optical properties of four crystalline ices (ice VIII, ice XI, ice Ic and ice Ih) and bulk water

Assessment of human errors in driving accidents; Analysis of the causes based on aberrant behaviors

Introduction: Today, mortalities and injuries due to traffic accidents have been confirmed as a global phenomenon. Meanwhile, mistakes and high risk behaviors by drivers, is the most important intervening factor in traffic accidents. This study is to analyze the causes of traffic accidents according to drivers' aberrant behaviors. Methods: This cross-sectional study was conducted on 540 taxi drivers using Manchester Driving Behaviour Questinnaire in 0-5 Likert scale. After being gathered, the data were analyzed by SPSS 11.5 using Pearson Correlation and Logistic Regression. Findings: The mean score of aberrant driving behaviors was obtained 2.06 (± 0.47) and lapse obtained the highest score and driving mistakes did the lowest. As age advanced, the rate of aberrant behaviours declined (P = 0.006). Commitment of mistakes and offences was more prevalent in ages under 30 years compared to other age ranges and lapse in the individuals over 50 years was more prevalent compared to other items. The results of logistic regression indicated that all variables of DBQ are important in predicting Iranian drivers' aberrant behaviors (P < 0.001), but intentional offences had the highest correlation. There was an inverse correlation between driving history and intentional offences and mistakes (P < 0.001). Conclusion: According to the results, it could be said that intentional offences and lapse in driving behaviors are more predictive of self-reported accidents compared to other variables. The drivers in low ages are more willing to practice aberrant behaviors due to lack of adequate skill and experience and having intrinsic excitements. By contrast, as age advances, intentional offenses declines and the rate of lapses ascends. It seems that through provision of regular, periodic training for the drivers by occupation and creating awareness, aberrant behaviors and, by extension, traffic accidents could be effectively decreased

Tight-Binding Studio: A Technical Software Package to Find the Parameters of Tight-Binding Hamiltonian

We present the Tight-Binding Studio (TBStudio) software package for calculating tight-binding Hamiltonian from a set of Bloch energy bands obtained from first principle theories such as density functional theory, Hartree-Fock calculations or Semi-empirical band structure theory. This will be helpful for scientists who are interested in studying the electronic properties of structures using Green's function theory in tight-binding approximation. TBStudio is a cross-platform application written in C++ with a graphical user interface design that is user-friendly and easy to work with. This software is powered by Linear Algebra Package C interface library for solving the eigenvalue problems and the standard high-performance OpenGL graphic library for real-time plotting. TBStudio and its examples together with the tutorials are available for download from tight-binding.com

Ant Colony Search Algorithm for Optimal Generators Startup during Power System Restoration

Generators startup sequence plays a significant role in achieving a suitable and effective restoration strategy. This paper outlines an ant colony search algorithm in order to determine the generator starting times during the bulk power system restoration. The algorithm attempts to maximize the system generation capability over a restoration period, where the dynamic characteristics of different types of units and system constraints are considered. Applying this method for the 39-bus New England test system, and comparing the results with backtracking-search and P/t methods, it is found that proposed algorithm improved generation capability

A New Approach to Nonsinusoidal Steady-State Power System Analysis

A new analysis method using wavelet domain for steady-state operating condition of power system is developed and introduced. Based on wavelet-Galerkin theory, the system components such as resistor, inductor, capacitor, transmission lines, and switching devices are modeled in discrete wavelet domain for the purpose of steady-state analysis. To solve system equations, they are transferred to wavelet domain by forming algebraic matrix-vector relations using the wavelet transform coefficients and the equivalent circuit is thus built for system simulation. After describing the new algorithm, two-case studies are presented and compared with the simulations in the time domain to verify the accuracy and computational performance

The properties of electron transport through CNT/trans-PA/CNT system

Abstract Using a tight-binding model and a tranfer-matrix technique, we numerically investigate the effects of the coupling strength, and the length of the molecule on the electronic transmission through a CNT/(single) molecule/CNT system. With trans-polyacetylene (trans-PA) as the molecule sandwiched between two semi-infinite carbon nanotube(CNT), we rely on Landauer formalism as the basis for studying the conductance properties of this system. Our calculations show that the conductance is sensitive to the CNT/molecule coupling and that it exponentially decreases with the increase in the length of the molecule, as expected

The influence of using different reconstruction algorithms on sensitivity of quantitative 18F-FDG-PET volumetric measures to background activity variation

Introduction: This study aims to investigate the influence of background activity variation on image quantification in differently reconstructed PET/CT images. Methods: Measurements were performed on a Discovery-690 PET/CT scanner using a custom-built NEMA-like phantom. A background activity level of 5.3 and 2.6 kBq/ml 18F-FDG were applied. Images were reconstructed employing four different reconstruction algorithms: HD (OSEM with no PSF or TOF), PSF only, TOF only, and TOFPSF, with Gaussian filters of 3 and 6.4 mm in FWHM. SUVmax and SUVpeak were obtained and used as cut-off thresholding; Metabolic Tumor Volume (MTV) and Total Lesion Glycolysis (TLG) were measured. The volume recovery coefficients (VRCs), the relative percent error (�MTV), and Dice similarity coefficient were assessed with respect to true values. Results: SUVmax and SUVpeak decreased and MTV increased as function of increasing the background dose. The most differences occur in smaller volumes with 3-mm filter; Non-TOF and Non-PSF reconstruction methods were more sensitive to increasing the background activity in the smaller and larger volumes, respectively. The TLG values were affected in the small lesions (decrease up to 12). In a range of target volumes, differences between the mean �MTV in the high and low background dose varied from -11.8 to 7.2 using SUVmax and from 2.1 to 7.6 using SUVpeak inter reconstruction methods. Conclusion: The effect of the background activity variation on SUV-based quantification in small lesion was more noticeable than large lesion. The HD and TOFPSF algorithms had the lowest and the highest sensitivity to background activity, respectively. © 2018 Iranian Journal of Nuclear Medicine. All Rights Reserved

A Hybrid Fuzzy Multi-criteria Decision Making Model to Evaluate the Overall Performance of Public Emergency Departments: A Case Study

[EN] Performance evaluation is relevant for supporting managerial decisions related to the improvement of public emergency departments (EDs). As different criteria from ED context and several alternatives need to be considered, selecting a suitable Multicriteria Decision-Making (MCDM) approach has become a crucial step for ED performance evaluation. Although some methodologies have been proposed to address this challenge, a more complete approach is still lacking. This paper bridges this gap by integrating three potent MCDM methods. First, the Fuzzy Analytic Hierarchy Process (FAHP) is used to determine the criteria and sub-criteria weights under uncertainty, followed by the interdependence evaluation via fuzzy Decision-Making Trial and Evaluation Laboratory(FDEMATEL). The fuzzy logic is merged with AHP and DEMATEL to illustrate vague judgments. Finally, the Technique for Order of Preference by Similarity to Ideal Solution (TOPSIS) is used for ranking EDs. This approach is validated in a real 3-ED cluster. The results revealed the critical role of Infrastructure (21.5%) in ED performance and the interactive nature of Patient safety (C+R =12.771). Furthermore, this paper evidences the weaknesses to be tackled for upgrading the performance of each ED.Ortiz-Barrios, M.; Alfaro Saiz, JJ. (2020). A Hybrid Fuzzy Multi-criteria Decision Making Model to Evaluate the Overall Performance of Public Emergency Departments: A Case Study. International Journal of Information Technology & Decision Making. 19(6):1485-1548. https://doi.org/10.1142/S0219622020500364S14851548196Lord, K., Parwani, V., Ulrich, A., Finn, E. B., Rothenberg, C., Emerson, B., … Venkatesh, A. K. (2018). Emergency department boarding and adverse hospitalization outcomes among patients admitted to a general medical service. The American Journal of Emergency Medicine, 36(7), 1246-1248. doi:10.1016/j.ajem.2018.03.043Sørup, C. M., Jacobsen, P., & Forberg, J. L. (2013). 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Applied Soft Computing, 68, 249-267. doi:10.1016/j.asoc.2018.04.004Frazão, T. D. C., Camilo, D. G. G., Cabral, E. L. S., & Souza, R. P. (2018). Multicriteria decision analysis (MCDA) in health care: a systematic review of the main characteristics and methodological steps. BMC Medical Informatics and Decision Making, 18(1). doi:10.1186/s12911-018-0663-1Ortiz-Barrios, M. A., Herrera-Fontalvo, Z., Rúa-Muñoz, J., Ojeda-Gutiérrez, S., De Felice, F., & Petrillo, A. (2018). An integrated approach to evaluate the risk of adverse events in hospital sector. Management Decision, 56(10), 2187-2224. doi:10.1108/md-09-2017-0917Al Salem, A. A., & Awasthi, A. (2018). Investigating rank reversal in reciprocal fuzzy preference relation based on additive consistency: Causes and solutions. Computers & Industrial Engineering, 115, 573-581. doi:10.1016/j.cie.2017.11.027Aires, R. F. de F., & Ferreira, L. (2019). A new approach to avoid rank reversal cases in the TOPSIS method. Computers & Industrial Engineering, 132, 84-97. doi:10.1016/j.cie.2019.04.023Emrouznejad, A., & Yang, G. (2018). A survey and analysis of the first 40 years of scholarly literature in DEA: 1978–2016. Socio-Economic Planning Sciences, 61, 4-8. doi:10.1016/j.seps.2017.01.008Arya, A., & Yadav, S. P. (2017). Development of FDEA Models to Measure the Performance Efficiencies of DMUs. International Journal of Fuzzy Systems, 20(1), 163-173. doi:10.1007/s40815-017-0325-yMufazzal, S., & Muzakkir, S. M. (2018). A new multi-criterion decision making (MCDM) method based on proximity indexed value for minimizing rank reversals. Computers & Industrial Engineering, 119, 427-438. doi:10.1016/j.cie.2018.03.045Kaliszewski, I., & Podkopaev, D. (2016). Simple additive weighting—A metamodel for multiple criteria decision analysis methods. Expert Systems with Applications, 54, 155-161. doi:10.1016/j.eswa.2016.01.042Mousavi-Nasab, S. H., & Sotoudeh-Anvari, A. (2018). A new multi-criteria decision making approach for sustainable material selection problem: A critical study on rank reversal problem. Journal of Cleaner Production, 182, 466-484. doi:10.1016/j.jclepro.2018.02.062Chen, Z., Ming, X., Zhang, X., Yin, D., & Sun, Z. (2019). A rough-fuzzy DEMATEL-ANP method for evaluating sustainable value requirement of product service system. Journal of Cleaner Production, 228, 485-508. doi:10.1016/j.jclepro.2019.04.145Jumaah, F. M., Zadain, A. A., Zaidan, B. B., Hamzah, A. K., & Bahbibi, R. (2018). Decision-making solution based multi-measurement design parameter for optimization of GPS receiver tracking channels in static and dynamic real-time positioning multipath environment. Measurement, 118, 83-95. doi:10.1016/j.measurement.2018.01.011Singh, A., & Prasher, A. (2017). Measuring healthcare service quality from patients’ perspective: using Fuzzy AHP application. 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Multi-criteria decision analysis for supporting the selection of medical devices under uncertainty. European Journal of Operational Research, 247(1), 216-228. doi:10.1016/j.ejor.2015.05.075Kovacs, E., Strobl, R., Phillips, A., Stephan, A.-J., Müller, M., Gensichen, J., & Grill, E. (2018). Systematic Review and Meta-analysis of the Effectiveness of Implementation Strategies for Non-communicable Disease Guidelines in Primary Health Care. Journal of General Internal Medicine, 33(7), 1142-1154. doi:10.1007/s11606-018-4435-5Morley, C., Unwin, M., Peterson, G. M., Stankovich, J., & Kinsman, L. (2018). Emergency department crowding: A systematic review of causes, consequences and solutions. PLOS ONE, 13(8), e0203316. doi:10.1371/journal.pone.0203316Hermann, R. M., Long, E., & Trotta, R. L. (2019). Improving Patients’ Experiences Communicating With Nurses and Providers in the Emergency Department. Journal of Emergency Nursing, 45(5), 523-530. doi:10.1016/j.jen.2018.12.001Hawley, K. 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Ovarian cancer

Ovarian cancer is not a single disease and can be subdivided into at least five different histological subtypes that have different identifiable risk factors, cells of origin, molecular compositions, clinical features and treatments. Ovarian cancer is a global problem, is typically diagnosed at a late stage and has no effective screening strategy. Standard treatments for newly diagnosed cancer consist of cytoreductive surgery and platinum-based chemotherapy. In recurrent cancer, chemotherapy, anti-angiogenic agents and poly(ADP-ribose) polymerase inhibitors are used, and immunological therapies are currently being tested. High-grade serous carcinoma (HGSC) is the most commonly diagnosed form of ovarian cancer and at diagnosis is typically very responsive to platinum-based chemotherapy. However, in addition to the other histologies, HGSCs frequently relapse and become increasingly resistant to chemotherapy. Consequently, understanding the mechanisms underlying platinum resistance and finding ways to overcome them are active areas of study in ovarian cancer. Substantial progress has been made in identifying genes that are associated with a high risk of ovarian cancer (such as BRCA1 and BRCA2), as well as a precursor lesion of HGSC called serous tubal intraepithelial carcinoma, which holds promise for identifying individuals at high risk of developing the disease and for developing prevention strategies