Academic literature on the topic 'P-I diagram'

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Journal articles on the topic "P-I diagram"

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Chernin, Leon, Margi Vilnay, and Demetrios M. Cotsovos. "Extended P-I diagram method." Engineering Structures 224 (December 2020): 111217. http://dx.doi.org/10.1016/j.engstruct.2020.111217.

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Kagotani, Toshio. "P-T-X Phase Diagram and Electrical Properties of Intermetallic Compound HgTe." Journal of the Japan Institute of Metals 49, no. 12 (1985): 1037–44. http://dx.doi.org/10.2320/jinstmet1952.49.12_1037.

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Hamra, Lotfi, Jean-François Demonceau, and Vincent Denoel. "Analytical procedure to derive P-I diagram of a beam under explosion." IABSE Symposium Report 103, no. 7 (February 11, 2015): 62–69. http://dx.doi.org/10.2749/222137815815622681.

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Ma, G. W., H. J. Shi, and D. W. Shu. "P–I diagram method for combined failure modes of rigid-plastic beams." International Journal of Impact Engineering 34, no. 6 (June 2007): 1081–94. http://dx.doi.org/10.1016/j.ijimpeng.2006.05.001.

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Enginer, Y., S. Salihoğlu, and H. Yurtseven. "T–P phase diagram of ammonia solid phases I, II and III." Materials Chemistry and Physics 73, no. 1 (January 2002): 57–61. http://dx.doi.org/10.1016/s0254-0584(01)00339-x.

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Hiro, Kazuki, and Tadahiro Wada. "Phase Diagram of Thermotropic Liquid Crystal Including Negative Pressure Region Generated in Metal Berthelot Tube." Solid State Phenomena 181-182 (November 2011): 22–25. http://dx.doi.org/10.4028/www.scientific.net/ssp.181-182.22.

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Phase diagrams including absolute negative pressure regions of thermotropic liquid crystals give useful information on science and technology. A phase diagram was depicted for ca. 40mg of a thermotropic liquid crystal in a pressure vs. temperature (P-T) plane by the Berthelot method using a metal tube. N-I phase transitions occurred even under-10MPa, and a polymorphism of the crystalline phase was observed.
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Könye, Viktor, and József Cserti. "General formalism for calculating the thermal efficiency of thermodynamic cycles defined in a pV diagram." American Journal of Physics 90, no. 3 (March 2022): 194–99. http://dx.doi.org/10.1119/5.0064010.

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SU, BING, YINFENG XU, and BINHAI ZHU. "BASELINE BOUNDED HALF-PLANE VORONOI DIAGRAM." Discrete Mathematics, Algorithms and Applications 05, no. 03 (September 2013): 1350021. http://dx.doi.org/10.1142/s1793830913500213.

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Given a set of points P = {p1, p2, …, pn} in the Euclidean plane, with each point piassociated with a given direction vi∈ V. P(pi, vi) defines a half-plane and L(pi, vi) denotes the baseline that is perpendicular to viand passing through pi. Define a region dominated by piand vias a Baseline Bounded Half-Plane Voronoi Region, denoted as V or(pi, vi), if a point x ∈ V or(pi, vi), then (1) x ∈ P(pi, vi); (2) the line segment l(x, pi) does not cross any baseline; (3) if there is a point pj, such that x ∈ P(pj, vj), and the line segment l(x, pj) does not cross any baseline then d(x, pi) ≤ d(x, pj), j ≠ i. The Baseline Bounded Half-Plane Voronoi Diagram, denoted as V or(P, V), is the union of all V or(pi, vi). We show that V or(pi, vi) and V or(P, V) can be computed in O(n log n) and O(n2log n) time, respectively. For the heterogeneous point set, the same problem is also considered.
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Ahiakpor, James C. W. "The Genesis of the Only Diagram in the General Theory: A Comment." Journal of the History of Economic Thought 21, no. 1 (March 1999): 39–41. http://dx.doi.org/10.1017/s1053837200002820.

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Roy Harrod (1951, p. 453) explicitly states that he “supplied a diagram purporting to reconcile the classical theory [of interest] with [Keynes's] theory, and he incorporated it in the [General Theory]-the only diagram in it!” (italics added). John M. Keynes (1936, p. 180n) himself writes: “This diagram was suggested to me by Mr. R.F. Harrod.” Furthermore, Harrod, in a letter to Ralph Hawtrey (19 June 1951) also says: “I was myself responsible for the diagram on page 180 which was an attempt to demonstrate to Maynard that his theories were not quite so out of line with the classical position as he supposed” (quoted in Warren Young 1987, p. 136). Now Rod O'Donnell (1999) claims that Harrod never supplied a diagram but only suggested how one could be drawn. Thus both Harrod and Keynes have misled us about the genesis of the only diagram in the General Theory. O'Donnell advances arguments in support of his claim which do not appear convincing.
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Christensen-Dalsgaard, Jørgen. "A Hertzsprung-Russell diagram for stellar oscillations." Symposium - International Astronomical Union 123 (1988): 295–98. http://dx.doi.org/10.1017/s0074180900158279.

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I present evolutionary tracks and curves of constant central hydrogen abundance in diagrams based on frequencies of high-order, low-degree p modes. For stars with masses between 0.7 and 1.5 M⊙, a clean separation is obtained between the effects of varying mass and varying evolutionary state.
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Dissertations / Theses on the topic "P-I diagram"

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Lyons, Corey Francis. "The Γ0 Graph of a p-Regular Partition." University of Akron / OhioLINK, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=akron1271082086.

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Peterka, Zdeněk. "Kondenzační parní turbina." Master's thesis, Vysoké učení technické v Brně. Fakulta strojního inženýrství, 2014. http://www.nusl.cz/ntk/nusl-231367.

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The aim of this Diploma thesis is calculating the parameters of the heat balance diagram as well as creating balance sheet for winter and summer operation. In one of the first parts, the reader is acquainted with two P&I diagrams containing main accessories, which are also used in the heat scheme, KKS marking system is used to name the acces-sories. The main part of the thesis consists of a detailed calculation of the heat transfer surface of the condenser with design of the tube bundle including the main dimensions of the condenser. Last but not least, the calculations of the hydraulic losses of condenser are included in the thesis.
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Dahal, Lila R. "Spectroscopic Ellipsometry Studies of Thin Film a-Si:H Solar Cell Fabrication by Multichamber Deposition in the n-i-p Substrate Configuration." University of Toledo / OhioLINK, 2013. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1365202814.

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Huang, Zhiquan. "Spectroscopic Ellipsometry Studies of Thin Film a-Si:H/nc-Si:H Micromorph Solar Cell Fabrication in the p-i-n Superstrate Configuration." University of Toledo / OhioLINK, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1460919549.

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Polak, Agnieszka. "Zastosowanie algorytmów kombinatorycznych i numerycznych w klasyfikacji orbit P-krytycznych bigrafow, TP-krytycznych posetów oraz sieciowych kołczanów pierwiastków." Doctoral thesis, 2013.

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Xu, Juechun. "Blast analysis of normal concrete, high strength concrete and ultra-high performance concrete members." Thesis, 2016. http://hdl.handle.net/2440/119514.

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The understanding of different failure modes of reinforced concrete members is essential in the blast analysis and design of civil and defence structures. Normal concrete (NC) is a widely used material in structures; high strength concrete members (HSC) is undergoing widespread use in civil engineering and construction processes and ultra-high performance concrete (UHPC) is deemed to be a promising material due to its high ductility, impact resistance and energy absorption capacity and it has drawn intense interests for the purpose of blast resistant design of structures. This thesis contains five journal papers, which aim to extend, or produce new analytical techniques for investigating both shear and flexural failure modes of structural members made of these three kinds of materials by considering both experimental and theoretical studies. The thesis has been divided into three chapters. Chapter 1 is the introduction and problem statement of this research work. Chapter 2 contains two journal papers and it provides the absence of method for assessing direct shear failure mode of reinforced concrete (RC) members against blasts. Chapter 3 includes three journal papers, which present experimental and theoretical study of failure modes of high strength reinforced concrete (HSRC) members and ultra-high performance fibre reinforced concrete (UHPFRC) members under explosion loads. Finally, Chapter 4 presents conclusions of this research program. The experimental investigations on behaviour of reinforced concrete structures subjected to blast loading have revealed that direct shear mechanisms play an important role in the overall response and failure mode of structures. However, most of previous studies are based on the assumption that only flexural response dominates failure mode without taking shear failure into consideration. Therefore, the first journal paper in Chapter 2 is to use single degree of freedom (SDOF) system as a tool for predicting direct shear response of blast loaded reinforced concrete members. In addition, as there are no design provisions that are available to predict shear stress to slip relationship for design of NRC members, the second journal paper assesses direct shear response of NRC members is numerically evaluated using finite element software LS-DYNA, which has not been investigated in the previous literature. The two papers in Chapter 2 provide new insights concerning the mechanics of dynamic shear failure of NRC members against blast loading. Chapter 3 presents a blast testing program on ultra-high performance fibre reinforced concrete (UHPFRC) and high strength reinforced concrete (HSRC) columns and a one dimensional (1D) finite element model (FEM) is then adopted for further investigations, due to its inherent accuracy and stability despite its numerical efficiency. The third journal paper represented herein is devoted to investigating experimentally the mechanical properties and dynamic responses of ultra-high performance twisted steel fibre reinforced concrete and HSRC columns under both quasi-static and blast loads. Afterwards, the fourth journal paper gives a detailed investigation of the capabilities of ultra-high performance micro steel fibre reinforced concrete columns and high strength reinforced (HSRC) columns against close-in blasts. To achieve this objective, a series of blast tests were conducted to investigate the behaviour of UHPFRC columns HSRC columns subjected to blast loading. Lastly, the fifth journal paper uses 1D FEM to accurately analyse the response of UHPFRC and HSRC columns subjected to blasts. This thesis deals with a broad range of topics in analysing the static and dynamic response of structural members including RC members, HSRC and UHPFRC columns. The static loading regimes include the direct shear response. The dynamic loading regimes include impulse loading due to real blast experiments. The failure modes under blast loading conditions have been addressed in great details both in experimental study and numerical simulations.
Thesis (Ph.D.) (Research by Publication) -- University of Adelaide, School of Civil, Environmental and Mining Engineering, 2016.
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Books on the topic "P-I diagram"

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Video servicing: Circuit diagrams I - P. Doncaster: U-View, 1993.

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Fiedler, Wilhelm. Die Darstellende Geometrie in Organischer Verbindung Mit der Geometrie der Lage: Th. Die Construierende und Analytische Geometrie der Lage. 1888. Xxix, [1], 660 P. Diagrs. , I Pl. Creative Media Partners, LLC, 2018.

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McDermott, Patrick N., and Colin G. Orton. The Physics & Technology of Radiation Therapy. Medical Physics Publishing, 2018. http://dx.doi.org/10.54947/9781930524989.

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It's no wonder more and more colleges are adopting The Physics & Technology of Radiation Therapyfor their radiology and medical physics programs. Radiation therapy is a difficult subject to understand and teach, so it helps to have a book written by two renowned experts who have explained the field's tough concepts to students for many years with the perfect mix of depth, insight, and humor. The critics agree. From Thomas Lowinger in IOMP Journal..." This is an excellent book; the presentation of the book diagrams, figures, pictures (many in color), and selection of problems are clear and logical and make this book a classic. It is evident that the authors have taught this subject for a long time and were able to distill and explain concepts in a clear and interesting way. The authors have written a spellbinding textbook that belongs on the bookshelf of every medical physicist, both as a reference and as guide. …it surely belongs in the pantheon of great medical physics textbooks. I wish I had this book when I was a student." From Joseph P. Driewer in JACMP..." The 2nd edition of The Physics & Technology of Radiation Therapyby McDermott and Orton is an accessible textbook for radiation therapists, medical dosimetrists, and radiation oncology residents. It could be a great primary text for a first course in radiation therapy physics as well as a great study resource for board exams in these areas." The 2nd edition has been guided by the 2018 ASTRO core curriculum for radiation oncology residents. Novice physicists will find the book useful when studying for board exams, with helpful chapter summaries, appendices, and extra end-of-chapter problems and questions. It features new material on digital x-ray imaging, neutron survey meters, flattening-filter free and x-band linacs, biological dose indices, electronic brachytherapy, OSLD, Cerenkov radiation, FMEA, total body irradiation, proton therapy, and more. Also included: Updated graphics in full color for increased understanding. Appendices on board certifications in radiation therapy for ABR, AART, and Medical Dosimetrist Certification Board. Dosimetry Data A full index
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Book chapters on the topic "P-I diagram"

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Hönerlage, B. "CuBr: p-T phase diagram, transition pressure." In New Data and Updates for III-V, II-VI and I-VII Compounds, 240–41. Berlin, Heidelberg: Springer Berlin Heidelberg, 2010. http://dx.doi.org/10.1007/978-3-540-92140-0_182.

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Hönerlage, B. "CuI: phase transitions, p-T phase diagram." In New Data and Updates for III-V, II-VI and I-VII Compounds, 351–52. Berlin, Heidelberg: Springer Berlin Heidelberg, 2010. http://dx.doi.org/10.1007/978-3-540-92140-0_263.

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Hönerlage, B. "AgI: phase transitions, p-T phase diagram." In New Data and Updates for III-V, II-VI and I-VII Compounds, 42–43. Berlin, Heidelberg: Springer Berlin Heidelberg, 2010. http://dx.doi.org/10.1007/978-3-540-92140-0_35.

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Hönerlage, B. "AgI: phase transitions, p-T phase diagram." In New Data and Updates for I-VII, III-V, III-VI and IV-VI Compounds, 97. Berlin, Heidelberg: Springer Berlin Heidelberg, 2008. http://dx.doi.org/10.1007/978-3-540-48529-2_16.

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Hönerlage, B. "CuBr: phase transitions, p-T phase diagram." In New Data and Updates for I-VII, III-V, III-VI and IV-VI Compounds, 112. Berlin, Heidelberg: Springer Berlin Heidelberg, 2008. http://dx.doi.org/10.1007/978-3-540-48529-2_26.

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Hönerlage, B. "CuI: phase transitions, p-T phase diagram." In New Data and Updates for I-VII, III-V, III-VI and IV-VI Compounds, 157–58. Berlin, Heidelberg: Springer Berlin Heidelberg, 2008. http://dx.doi.org/10.1007/978-3-540-48529-2_57.

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Hönerlage, B. "AgI: phase transitions, p-T phase diagram." In New Data and Updates for IV-IV, III-V, II-VI and I-VII Compounds, their Mixed Crystals and Diluted Magnetic Semiconductors, 38–39. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-14148-5_32.

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Hönerlage, B. "AgBr: phase transitions, p-T phase diagram." In New Data and Updates for IV-IV, III-V, II-VI and I-VII Compounds, their Mixed Crystals and Diluted Magnetic Semiconductors, 10. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-14148-5_9.

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Zhao, Muyu, Lizhu Song, and Xiaobao Fan. "The Boundary Theory for p-T-x i Multicomponent Phase Diagrams." In The Boundary Theory of Phase Diagrams and Its Application, 157–72. Berlin, Heidelberg: Springer Berlin Heidelberg, 2009. http://dx.doi.org/10.1007/978-3-642-02940-0_8.

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Neges, Matthias, Mario Wolf, and Michael Abramovici. "Enabling Round-Trip Engineering Between P&I Diagrams and Augmented Reality Work Instructions in Maintenance Processes Utilizing Graph-Based Modelling." In Advances in Intelligent Systems and Computing, 33–42. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-64465-3_4.

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Conference papers on the topic "P-I diagram"

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Schuller, Andreas, and Ulrich Epple. "PandIX — Exchanging P&I diagram model data." In 2012 IEEE 17th Conference on Emerging Technologies & Factory Automation (ETFA 2012). IEEE, 2012. http://dx.doi.org/10.1109/etfa.2012.6489537.

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Huang, Z., L. R. Dahal, C. Salupo, A. S. Ferlauto, N. J. Podraza, and R. W. Collins. "Optimization of a-Si:H p-i-n solar cells through development of n-layer growth evolution diagram and large area mapping." In 2013 IEEE 39th Photovoltaic Specialists Conference (PVSC). IEEE, 2013. http://dx.doi.org/10.1109/pvsc.2013.6744490.

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Passeri, Marco, Stefano Generosi, Riccardo Bagagli, and Carmelo Maggi. "Preliminary Piping Sizing and Pressure Pulsation Evaluation." In ASME 2014 Pressure Vessels and Piping Conference. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/pvp2014-28057.

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LDPE production developments require processing equipment with increased capacities and existing applications uprating. They include large reciprocating compressors with several cylinders operating at very high pressures. Selection of piping size, as these special components have very long delivery time, including reactors and intercoolers, requires a careful analysis to be performed at an early stage of a project to properly estimate the costs. A preliminary evaluation should be made during the bid stage using compressor data sheet and P&I diagram. A specific pre-study linked to compressor sizing program can be used for preliminary cost estimation. Prior to piping purchase order issue, based on the first issue of real layout around compressor, the above evaluation has to be confirmed by a preliminary pulsation study. Once the plant arrangement will be finalized, the final acoustic study will have to be performed. Usually such study will only result in minor adjustments to the design not involving the piping size.
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Wang, Y. H., J. Y. Richard Liew, and S. C. Lee. "Development of P-I Diagrams for Stainless Steel Water Tank Subject to Blast Loading." In 10th International Conference on Advances in Steel Concrete Composite and Hybrid Structures. Singapore: Research Publishing Services, 2012. http://dx.doi.org/10.3850/978-981-07-2615-7_r014.

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Stoke, J. A., L. R. Dahal, Jian Li, N. J. Podraza, Xinmin Cao, X. Deng, and R. W. Collins. "Optimization of Si:H multijunction n-i-p solar cells through the development of deposition phase diagrams." In 2008 33rd IEEE Photovolatic Specialists Conference (PVSC). IEEE, 2008. http://dx.doi.org/10.1109/pvsc.2008.4922762.

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Vlasic, Andjelko, Mladen Srbić, and Gordana Hrelja Kovačević. "Comparative analysis and applicability of optimal composite sections for small to middle span girder bridges." In IABSE Congress, New York, New York 2019: The Evolving Metropolis. Zurich, Switzerland: International Association for Bridge and Structural Engineering (IABSE), 2019. http://dx.doi.org/10.2749/newyork.2019.1269.

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<p>Paper reports findings from parametric analysis of open section constant height composite bridges with considered spans ranging from 20 to 70 m (for larger spans closed box girder section is recommended). For these spans, girder structural system is analyzed for permanent and traffic loads, and thus steel quantity determined according to Eurocode limit states. For each span, possible sections comprise various “<span>I</span>” girder types and various number of girders determined from variable bridge width, distinguishing two groups of sections – sections with only two main girders (comprising hunched deck plate of variable thickness) and sections with more than two girders (comprising constant thickness deck plate). Other considered parameters are section height, steel flange width and occurrence of web stiffeners for buckling verification. Analysis is performed on finite element models, according to typical construction stages, where composite section is activated only for loads applied after in‐situ concreating of deck slab. For each variable set, needed steel quantity is recorded. Graphical representation of all results is plotted in diagrams, showing section types and steel quantity for a given range of span lengths. In conclusion, comments are given for use of composite cross sections according to the bridge span length and width.</p>
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Gola, Muzio M., and Chiara Gastaldi. "Understanding Complexities in Underplatform Damper Mechanics." In ASME Turbo Expo 2014: Turbine Technical Conference and Exposition. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/gt2014-25240.

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All numerical models of friction damped bladed arrays require knowledge or information of contact-friction parameters, which are established either through direct frictional measurements, done with the help of single contact test arrangements, or by fine tuning the parameters in the numerical model and comparing the experimental response of damped blade against its computed response. Some critical assumptions are necessary to the purpose, such as the position and extension of the real contact areas and the values of local friction coefficients. In the light of recent results from direct measurements on under-platform dampers [1–3] it became evident that a dedicated routine for the damper mechanics is a much more effective tool to capture those finer details which are essential to an appropriate description of damper behaviour. This was made possible by the successful effort of the present authors to accurately measure the forces transmitted between the platforms through the damper and to relate them with the relative platform movement [2]. Simulations, and the matching experiments which are here not described, are performed under so called out-of-phase (O-O-P) and in-phase (I-P) condition simulating the two basically important motion types. Damper forces and damper kinematics are discussed for two highly representative cases in the low frequency range. Diagrams are then used to show the sensitivity to contact parameters, input motion and initial conditions on damper behaviour, casting heavy doubts on the validity of oversimplified practices.
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Mourad, Abdel-Hamid I. "Assessment of the Effect of the Notch Radius on Ductile Stable Crack Growth." In ASME 2008 Pressure Vessels and Piping Conference. ASMEDC, 2008. http://dx.doi.org/10.1115/pvp2008-61303.

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Mode I stable crack growth SCG behaviour emanating from notches of different radii was investigated. Fracture tests were carried out on compact tension (CT) specimen of 8 mm thickness. The specimen was fabricated from EN 34NiCrMo6 low alloy steel (akin to AISI 4330/4340) with various notch radii, r, ranging from 0.08 mm to 3.0 mm (0.08, 0.16, 0.25, 0.50, 1.00, 2.00, 3.00 mm). The notch was introduced in the specimen by using the EDM wire-cutting technique. Three different ratios of initial crack length ao to width W were used (namely a0/W = 0.45, 0.50 and 0.55). Experimental results include the load-load line displacement (L-LLD) diagrams and initiation (Pi and PQ) and maximum fracture loads, Pmax. Pi was taken as the linear limit of the P-ΔLL curve while PQ was identified as the point where a line with a slope of 95% of the initial slope of the P-ΔLL curve intersects the P-ΔLL curve. Tests show that despite more than 37 folds increase in notch radius, the average maximum load percentage increase (for the three ao/W ratios) recorded was no more than 21%. The crack initiation and crack front tunnelling, employing the dye penetrant technique, was observed to diminish with r. Minimal extension around Pmax, at the specimen mid thickness was observed, only under magnification of the fracture surface, in a few number of specimens of a0/W = 0.55 and r = 3 mm. The initiation load for specimen of r ≥ 2 can be predicted satisfactorily by the stress concentration approach also the maximum load may be predicted with a degree of conservatism employing the yield limit load PL for sharp notches. In general, the results suggest that the fracture mechanics approach is likely applicable up to r ≤ 2 mm in predicting crack initiation and instability load.
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Gianetto, J. A., G. R. Goodall, W. R. Tyson, F. Fazeli, M. A. Quintana, V. B. Rajan, and Y. Chen. "Microstructure and Properties of High Strength Steel Weld Metals." In 2012 9th International Pipeline Conference. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/ipc2012-90526.

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With an industry trend towards application of modern high strength steels for construction of large diameter, high pressure pipelines from remote northern regions there is a need to develop high-productivity welding processes to reduce costs and deal with short construction seasons. Achieving the required level of weld metal overmatching together with adequate ductility and good low temperature toughness is another major challenge for joining high strength X80/100 pipes. It is important to develop an improved understanding of weld metal systems that are required for the successful production of high strength pipeline girth welds that are needed for such demanding pipeline construction. In this investigation a range of weld metal (WM) compositions based on (i) C-Mn-Si-Mo, (ii) C-Mn-Si-Ni-Mo-Ti and (iii) C-Mn-Si-Ni-Cr-Mo-Ti was selected for more detailed evaluation of experimental plate welds complemented by specimens simulated by Gleeble® thermal cycling. Five specially-designed experimental plate welds were made with a robotic single torch pulsed gas metal arc welding (GMAW-P) procedures with wire electrodes applicable for joining X100 pipe. The procedures consisted of three initial fill passes deposited at 0.5 kJ/mm and a final deep-fill pass at 1.5 kJ/mm to just fill the narrow-gap joint. An important part of the research focused on development of WM Continuous Cooling Transformation (CCT) diagrams to establish the influence of composition and thermal cycle (cooling time) on formation of fine-scale, predominantly martensite, bainite and acicular ferrite (AF) microstructures. For the relatively wide range of cooling times investigated (Δt800−500 = 2 to 50 s), the lowest-alloyed WM (LA90) exhibited microstructures dominated by bainite with martensite to AF, whereas the highest-alloyed WM (PT02) formed large fractions of martensite with bainite to AF. Weld metal toughness was evaluated using both through-thickness notched 2/3 sub-size Charpy-V-notch (CVN) specimens as well as full-size surface-notched specimens. Post-test metallographic and fractographic examinations of selected fractured specimens were used to correlate WM microstructure and notch toughness.
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"Assessment of Formula-Based Structural Annotation of Humic Substances by Mild Chemical Derivatization and Mass Spectrometry." In Sixth International Conference on Humic Innovative Technologies "Humic Substances and Eco-Adaptive Technologies ”(HIT – 2021). Non-Commercial Partnership "Center for Biogenic Resources "Humus Sapiens" (NP CBR "Humus Sapiens"), 2021. http://dx.doi.org/10.36291/hit.2021.mikhnevich.002.

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Natural organic matter (NOM) plays an important role in the environment and its chemical properties and molecular composition reflect balance between mineralization and sequestration of organic carbon. Ultrahigh resolution mass spectrometry (e.g., FTICR MS) provides essential molecular information about NOM. However, NOM molecular heterogeneity prevents application of tandem MS experiments and direct structural information is ultimately missing leaving opportunities to only ambiguous formula-based annotation. The main aim of this work was to develop a chemical workflow to reliably examine the accuracy of several FTICR MS-derived structural indices with the focus on aromaticity and O-functional groups, which greatly impact compound properties. Four NOM samples of different origin (coal, oxidized lignin, river, and permafrost thaw) were brominated by NBS in acetonitrile for 24 hrs at RT. Carboxylic groups in all samples were determined by selective deuteromethylation using CD 3OD/SOCl2 reaction and by HATU amidation with 15N labeled glycine. Carbonyl groups were reduced by NaBD4. All parent and labeled mixtures were analyzed by ESI FTCR MS. Custom python scripts were developed to treat spectra and enumerate specific structural moieties in individual components. Obtained data was used to assess reliability of exact aromaticity indices (AI)1 and aromaticity equivalents (Xc) 2. Lignin- and coal-derived samples turned out to be the most sensitive to bromination which corroborated with the model phenolic structures. On contrary, permafrost thaw, which is enriched with labile species, was mostly resistant to bromination - 22% of molecular ions were brominated. Moreover, unlike oxidized riverine sample, coal NOM included polybrominated species, which implies that reaction efficiency depends on reactivity (i.e. substituents) of aromatic fragments. Samples were characterized by drastically different bromine distributions on van Krevelen diagrams, which correlated with the distribution of non-carboxylic oxygen atoms. Further, we compared AI and Xc aromaticity indices in terms of the proportion of correctly assigned aromatics. The data on brominated molecules were in good agreement with the AI values; however, apparently AI tends to overestimate the number of non-aromatics in the sample since it describe averaged aromaticity rather than the factual presence of aromatic ring. On the other hand, Xc perfectly recognized non-aromatics. In general, a higher proportion of correctly attributed aromatics was observed for the aromaticity equivalent Xc (up to 68%), which tends to find aromatic moieties in non-aromatic molecules assigned by AI. Still, we observed a number of aromatic- and condensed aromatic-assigned compounds, which were resistant to bromination or included lesser Br-atoms than the evaluated number of aromatic rings. Reaction with NaBD4 and enumeration of labeling series revealed the presence of carbonyl groups in these species, which in case of multiple reducing could be reliably assigned to quinone – condensed non-aromatic compounds. The approach may be of great importance in biogeochemical and medicinal studies of NOM. Acknowledgements. This work was supported by the Russian Science Foundation gran No 21-47-04405. References 1. Zherebker, A., Lechtenfeld, O. J., Sarycheva, A., Kostyukevich, Y., Kharybin, O., Fedoros, E. I. and Nikolaev, E. N. Anal. Chem., 2020, 92 (13), 9032-9038; 2. Yassine, M.M., Harir, M., Dabek-Zlotorzynska, E. and Schmitt-Kopplin, P. Rapid Commun. Mass Spectrom., 2014, 28, 2445-2454.
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