Chapter 1 An eTextBook in Computational Physics with Multiple Executable Elements

Abstract A complete eTextBook with multiple executable elements has been created, and Web-based versions have been placed in repositories affiliated with the US National Science Digital Library. The book, which is aimed at upper-division undergraduates, contains files format and executable elements chosen to be platform independent, highly useable and free. While future technologies and operating systems promise vastly improved executable books, the created eTextbook highlights some of the features possible with existing technologies. The project combines some 20 years of Computational Physics textbook developments and 15 years of Web enhancement developments into a prototype eTextBook that includes text, computational laboratories, demonstrations and video-based lecture modules

Experimental validation of a one-dimensional twin-entry radial turbine model under non-linear pulse conditions

This is the author¿s version of a work that was accepted for publication in International Journal of Engine Research. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published as https://doi.org/10.1177/1468087419869157[EN] This article presents the experimental validation of a complete integrated one-dimensional twin-scroll turbine model able to be used in reciprocating internal combustion engine unsteady simulations. A passenger car with a twin-entry-type turbine has been tested under engine-like pulse conditions by means of a specifically built gas stand. To obtain high-resolution quality data, the turbine and turbine line pipes have been instrumented with mean and instantaneous pressure sensors as well as temperature and mass flow sensors, employing a uniquely designed rotating valve for the pulse generation. This experimental configuration enables to obtain the pressure decomposition in both inlets and outlets of the turbine. Using the experimental data obtained, the model is fully validated, with special focus on the reflected and transmitted components for analysing the performance of the model and its non-linear acoustics prediction capabilities. The model presents a very high degree of correlation with the experimental results, providing a range of errors similar to the uncertainty of the measurements, even in the medium- and high-frequency spectra.The author(s) disclosed receipt of the following financial support for the research, authorship and/or publication of this article: This work was supported by the 'Ayuda a Primeros Proyectos de Investigacion' (PAID-06-18), Vicerrectorado de Investigacion, Innovacion y Transferencia de la Universitat Politecnica de Valencia (UPV), Valencia, Spain. P.S. was partially supported through contract FPI-2017-S2-1428 of Programa de Apoyo para la Investigacion y Desarrollo (PAID) of Universitat Politecnica de Valencia.Serrano, J.; Arnau Martínez, FJ.; García-Cuevas González, LM.; Soler-Blanco, P.; Cheung, R. (2021). Experimental validation of a one-dimensional twin-entry radial turbine model under non-linear pulse conditions. 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A detailed one-dimensional model to predict the unsteady behavior of turbocharger turbines for internal combustion engine applications. International Journal of Engine Research, 20(3), 327-349. doi:10.1177/1468087417752525Galindo, J., Arnau, F. J., García-Cuevas, L. M., & Soler, P. (2018). Experimental validation of a quasi-two-dimensional radial turbine model. International Journal of Engine Research, 21(6), 915-926. doi:10.1177/1468087418788502Rajoo, S., Romagnoli, A., & Martinez-Botas, R. F. (2012). Unsteady performance analysis of a twin-entry variable geometry turbocharger turbine. Energy, 38(1), 176-189. doi:10.1016/j.energy.2011.12.017Rajoo, S., & Martinez-Botas, R. (2008). Variable Geometry Mixed Flow Turbine for Turbochargers: An Experimental Study. International Journal of Fluid Machinery and Systems, 1(1), 155-168. doi:10.5293/ijfms.2008.1.1.155Copeland, C. D., Martinez-Botas, R., & Seiler, M. (2010). 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The Effect of Unequal Admission on the Performance and Loss Generation in a Double-Entry Turbocharger Turbine. Journal of Turbomachinery, 134(2). doi:10.1115/1.4003226Cerdoun, M., & Ghenaiet, A. (2018). Unsteady behaviour of a twin entry radial turbine under engine like inlet flow conditions. Applied Thermal Engineering, 130, 93-111. doi:10.1016/j.applthermaleng.2017.11.001Payri, F., Benajes, J., & Reyes, M. (1996). Modelling of supercharger turbines in internal-combustion engines. International Journal of Mechanical Sciences, 38(8-9), 853-869. doi:10.1016/0020-7403(95)00105-0Chiong, M. S., Rajoo, S., Martinez-Botas, R. F., & Costall, A. W. (2012). Engine turbocharger performance prediction: One-dimensional modeling of a twin entry turbine. Energy Conversion and Management, 57, 68-78. doi:10.1016/j.enconman.2011.12.001Chiong, M. S., Rajoo, S., Romagnoli, A., Costall, A. W., & Martinez-Botas, R. F. (2016). One-dimensional pulse-flow modeling of a twin-scroll turbine. Energy, 115, 1291-1304. doi:10.1016/j.energy.2016.09.041Galindo, J., Navarro, R., García-Cuevas, L. M., Tarí, D., Tartoussi, H., & Guilain, S. (2018). A zonal approach for estimating pressure ratio at compressor extreme off-design conditions. International Journal of Engine Research, 20(4), 393-404. doi:10.1177/1468087418754899Payri, F., Olmeda, P., Arnau, F. J., Dombrovsky, A., & Smith, L. (2014). External heat losses in small turbochargers: Model and experiments. Energy, 71, 534-546. doi:10.1016/j.energy.2014.04.096Serrano, J. R., Olmeda, P., Arnau, F. J., Dombrovsky, A., & Smith, L. (2015). Turbocharger heat transfer and mechanical losses influence in predicting engines performance by using one-dimensional simulation codes. Energy, 86, 204-218. doi:10.1016/j.energy.2015.03.130Gil, A., Tiseira, A. O., García-Cuevas, L. M., Usaquén, T. R., & Mijotte, G. (2018). Fast three-dimensional heat transfer model for computing internal temperatures in the bearing housing of automotive turbochargers. International Journal of Engine Research, 21(8), 1286-1297. doi:10.1177/1468087418804949Serrano, J. R., Olmeda, P., Tiseira, A., García-Cuevas, L. M., & Lefebvre, A. (2013). Theoretical and experimental study of mechanical losses in automotive turbochargers. Energy, 55, 888-898. doi:10.1016/j.energy.2013.04.042Piñero, G., Vergara, L., Desantes, J. M., & Broatch, A. (2000). Estimation of velocity fluctuation in internal combustion engine exhaust systems through beamforming techniques. Measurement Science and Technology, 11(11), 1585-1595. doi:10.1088/0957-0233/11/11/307Zimmermann, R., Baar, R., & Biet, C. (2016). Determination of the isentropic turbine efficiency due to adiabatic measurements and the validation of the conditions via a new criterion. 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Distinguishing Type 1 from Type 2 Myocardial Infarction Using CT Coronary Angiography

PURPOSE: To determine whether quantitative plaque characterization by using CT coronary angiography (CTCA) can discriminate between type 1 and type 2 myocardial infarction. MATERIALS AND METHODS: This was a secondary analysis of two prospective studies (ClinicalTrials.gov registration nos. NCT03338504 [2014–2019] and NCT02284191 [2018–2020]) that performed blinded quantitative plaque analysis on findings from CTCA in participants with type 1 myocardial infarction, type 2 myocardial infarction, and chest pain without myocardial infarction. Logistic regression analyses were performed to identify predictors of type 1 myocardial infarction. RESULTS: Overall, 155 participants (mean age, 64 years ± 12 [SD]; 114 men) and 36 participants (mean age, 67 years ± 12; 19 men) had type 1 and type 2 myocardial infarction, respectively, and 136 participants (62 years ± 12; 78 men) had chest pain without myocardial infarction. Participants with type 1 myocardial infarction had greater total (median, 44% [IQR: 35%–50%] vs 35% [IQR: 29%–46%]), noncalcified (39% [IQR: 31%–46%] vs 34% [IQR: 29%–40%]), and low-attenuation (4.15% [IQR: 1.88%–5.79%] vs 1.64% [IQR: 0.89%–2.28%]) plaque burdens (P < .05 for all) than those with type 2. Participants with type 2 myocardial infarction had similar low-attenuation plaque burden to those with chest pain without myocardial infarction (P = .4). Low-attenuation plaque was an independent predictor of type 1 myocardial infarction (adjusted odds ratio, 3.44 [95% CI: 1.84, 6.96]; P < .001), with better discrimination than noncalcified plaque burden and maximal area of coronary stenosis (C statistic, 0.75 [95% CI: 0.67, 0.83] vs 0.62 [95% CI: 0.53, 0.71] and 0.61 [95% CI: 0.51, 0.70] respectively; P ≤ .001 for both). CONCLUSION: Higher low-attenuation coronary plaque burden in patients with type 1 myocardial infarction may help distinguish these patients from those with type 2 myocardial infarction. Keywords: Ischemia/Infarction, CT Angiography, Quantitative CT Clinical trial registration nos. NCT03338504 and NCT02284191 Supplemental material is available for this article. © RSNA, 202

How and Why Parents Guide the Media Use of Young Children

Abstract Children use electronic screens at ever younger ages, but there is still little empirical research on howand why parents mediate this media use. In line with Vygotsky’s zone of proximal development, we explored whether children’s media skills and media activities, next to parents’ attitudes about media for children, and several child and parent-family characteristics, predicted parental mediation practices. Furthermore, we investigated children’s use and ownership of electronic screens in the bedroomin relationship to the child’s media skills. Data from an online survey among 896 Dutch parents with young children (0–7 years) showed that children’s use and ownership of TV, game consoles, computers and touchscreens, primarily depended on their media skills and age, not on parent’s attitudes about media for children. Only touchscreens were used more often by children, when parents perceived media as helpful in providing moments of rest for the child. In line with former studies, parents consistently applied co-use, supervision, active mediation, restrictive mediation, and monitoring, depending on positive and negative attitudes about media. The child’s media skills andmedia activities, however, had stronger relationshipswith parental mediation styles, whereas age was not related. Canonical discriminant analysis, finally, captured how the five mediation strategies varied among infants, toddlers, preschoolers, and early childhood children, predominantly as a result of children’s media skills, and media activities, i.e., playing educational games and passive entertainment use

Direct Functionalization of Nitrogen Heterocycles via Rh-Catalyzed C−H Bond Activation

Nitrogen heterocycles are present in many compounds of enormous practical importance, ranging from pharmaceutical agents and biological probes to electroactive materials. Direct functionalization of nitrogen heterocycles through C−H bond activation constitutes a powerful means of regioselectively introducing a variety of substituents with diverse functional groups onto the heterocycle scaffold. Working together, our two groups have developed a family of Rh-catalyzed heterocycle alkylation and arylation reactions that are notable for their high level of functional-group compatibility. This Account describes our work in this area, emphasizing the relevant mechanistic insights that enabled synthetic advances and distinguished the resulting transformations from other methods. We initially discovered an intramolecular Rh-catalyzed C-2 alkylation of azoles by alkenyl groups. That reaction provided access to a number of di-, tri-, and tetracyclic azole derivatives. We then developed conditions that exploited microwave heating to expedite these reactions. While investigating the mechanism of this transformation, we discovered that a novel substrate-derived Rh−N-heterocyclic carbene (NHC) complex was involved as an intermediate. We then synthesized analogous Rh−NHC complexes directly by treating precursors to the intermediate [RhCl(PCy3)2] with N-methylbenzimidazole, 3-methyl-3,4-dihydroquinazoline, and 1-methyl-1,4-benzodiazepine-2-one. Extensive kinetic analysis and DFT calculations supported a mechanism for carbene formation in which the catalytically active RhCl(PCy3)2 fragment coordinates to the heterocycle before intramolecular activation of the C−H bond occurs. The resulting Rh−H intermediate ultimately tautomerizes to the observed carbene complex. With this mechanistic information and the discovery that acid cocatalysts accelerate the alkylation, we developed conditions that efficiently and intermolecularly alkylate a variety of heterocycles, including azoles, azolines, dihydroquinazolines, pyridines, and quinolines, with a wide range of functionalized olefins. We demonstrated the utility of this methodology in the synthesis of natural products, drug candidates, and other biologically active molecules. In addition, we developed conditions to directly arylate these heterocycles with aryl halides. Our initial conditions that used PCy3 as a ligand were successful only for aryl iodides. However, efforts designed to avoid catalyst decomposition led to the development of ligands based on 9-phosphabicyclo[4.2.1]nonane (phoban) that also facilitated the coupling of aryl bromides. We then replicated the unique coordination environment, stability, and catalytic activity of this complex using the much simpler tetrahydrophosphepine ligands and developed conditions that coupled aryl bromides bearing diverse functional groups without the use of a glovebox or purified reagents. With further mechanistic inquiry, we anticipate that researchers will better understand the details of the aforementioned Rh-catalyzed C−H bond functionalization reactions, resulting in the design of more efficient and robust catalysts, expanded substrate scope, and new transformations

Validation and Potential Mechanisms of Red Cell Distribution Width as a Prognostic Marker in Heart Failure

Adverse outcomes have recently been linked to elevated red cell distribution width (RDW) in heart failure. Our study sought to validate the prognostic value of RDW in heart failure and to explore the potential mechanisms underlying this association

Psychological Health of Surgeons in a Time of COVID-19: A Global Survey

OBJECTIVE: To assess the degree of psychological impact among surgical providers during the COVID-19 pandemic. SUMMARY BACKGROUND DATA: The COVID-19 pandemic has extensively impacted global healthcare systems. We hypothesized that the degree of psychological impact would be higher for surgical providers deployed for COVID-19 work, certain surgical specialties, and for those who knew of someone diagnosed with, or who died, of COVID-19. METHODS: We conducted a global web-based survey to investigate the psychological impact of COVID-19. The primary outcomes were the Depression Anxiety Stress Scale-21 (DASS-21) and Impact of Event Scale-Revised (IES-R) scores. RESULTS: 4283 participants from 101 countries responded. 32.8%, 30.8%, 25.9% and 24.0% screened positive for depression, anxiety, stress and Post-Traumatic Stress Disorder (PTSD) respectively. Respondents who knew someone who died of COVID-19 were more likely to screen positive for depression, anxiety, stress and PTSD (OR 1.3, 1,6, 1.4, 1.7 respectively, all p < 0.05). Respondents who knew of someone diagnosed with COVID-19 were more likely to screen positive for depression, stress and PTSD (OR 1.2, 1.2 and 1.3 respectively, all p < 0.05). Surgical specialities that operated in the Head and Neck region had higher psychological distress among its surgeons. Deployment for COVID-19-related work was not associated with increased psychological distress. CONCLUSIONS: The COVID-19 pandemic may have a mental health legacy outlasting its course. The long-term impact of this ongoing traumatic event underscores the importance of longitudinal mental health care for healthcare personnel, with particular attention to those who know of someone diagnosed with, or who died of COVID-19