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      Experimental and TDDFT materials simulation of thermal characteristics and entropy optimized of Williamson Cu-methanol and Al 2O 3-methanol nanofluid flowing through solar collector

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          Abstract

          Current investigation emphasizes the evaluation of entropy in a porous medium of Williamson nanofluid (WNF) flow past an exponentially extending horizontal plate featuring Parabolic Trough Solar Collector (PTSC). Two kinds of nanofluids such as copper-methanol (Cu-MeOH) and alumina-methanol (Al 2O 3-MeOH) were tested, discussed and plotted graphically. The fabricated nanoparticles are studied using different techniques, including TDDFT/DMOl 3 method as simulated and SEM measurements as an experimental method. The centroid lengths of the dimer are 3.02 Å, 3.27 Å, and 2.49 Å for (Cu-MeOH), (Al 2O 3-MeOH), and (Cu-MeOH-αAl-MOH), respectively. Adequate similarity transformations were applied to convert the partial differential equation (PDEs) into nonlinear ordinary differential equations (ODEs) with the corresponding boundary constraints. An enhancement in Brinkmann and Reynolds numbers increases the overall system entropy. WNF parameter enhances the heat rate in PTSC. The thermal efficiency gets elevated for Cu-MeOH than that of Al 2O 3-MeOH among 0.8% at least and 6.6% in maximum for varying parametric values.

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          A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu.

          Stefan Grimme, Jens Antony, Stephan Ehrlich … (2010)
          The method of dispersion correction as an add-on to standard Kohn-Sham density functional theory (DFT-D) has been refined regarding higher accuracy, broader range of applicability, and less empiricism. The main new ingredients are atom-pairwise specific dispersion coefficients and cutoff radii that are both computed from first principles. The coefficients for new eighth-order dispersion terms are computed using established recursion relations. System (geometry) dependent information is used for the first time in a DFT-D type approach by employing the new concept of fractional coordination numbers (CN). They are used to interpolate between dispersion coefficients of atoms in different chemical environments. The method only requires adjustment of two global parameters for each density functional, is asymptotically exact for a gas of weakly interacting neutral atoms, and easily allows the computation of atomic forces. Three-body nonadditivity terms are considered. The method has been assessed on standard benchmark sets for inter- and intramolecular noncovalent interactions with a particular emphasis on a consistent description of light and heavy element systems. The mean absolute deviations for the S22 benchmark set of noncovalent interactions for 11 standard density functionals decrease by 15%-40% compared to the previous (already accurate) DFT-D version. Spectacular improvements are found for a tripeptide-folding model and all tested metallic systems. The rectification of the long-range behavior and the use of more accurate C(6) coefficients also lead to a much better description of large (infinite) systems as shown for graphene sheets and the adsorption of benzene on an Ag(111) surface. For graphene it is found that the inclusion of three-body terms substantially (by about 10%) weakens the interlayer binding. We propose the revised DFT-D method as a general tool for the computation of the dispersion energy in molecules and solids of any kind with DFT and related (low-cost) electronic structure methods for large systems.
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            Heat transfer augmentation in a two-sided lid-driven differentially heated square cavity utilizing nanofluids

            Raj Kamal Tiwari, Manab Das (2007)
            Article 0 comments Cited 450 times – based on 0 reviews     Review now
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              A review on hybrid nanofluids: Recent research, development and applications

              Jahar Sarkar, Pradyumna Ghosh, Arjumand Adil (2015)
              Article 0 comments Cited 318 times – based on 0 reviews     Review now
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                Author and article information

                Contributors
                Wasim Jamshed: wasiktk@hotmail.com
                Journal
                Journal ID (nlm-ta): Sci Rep
                Journal ID (iso-abbrev): Sci Rep
                Title: Scientific Reports
                Publisher: Nature Publishing Group UK (London )
                ISSN (Electronic): 2045-2322
                Publication date (Electronic): 28 October 2022
                Publication date PMC-release: 28 October 2022
                Publication date Collection: 2022
                Volume: 12
                Electronic Location Identifier: 18130
                Affiliations
                [1 ]GRID grid.509787.4, ISNI 0000 0004 4910 5540, Department of Mathematics, , Capital University of Science and Technology (CUST), ; Islamabad, 44000 Pakistan
                [2 ]GRID grid.252487.e, ISNI 0000 0000 8632 679X, Department of Mathematics, Faculty of Science, , New Valley University, ; Al-Kharga, 72511 Al-Wadi Al-Gadid Egypt
                [3 ]GRID grid.449533.c, ISNI 0000 0004 1757 2152, Department of Mathematics, Faculty of Science, , Northern Border University, ; Arar, 1321 Saudi Arabia
                [4 ]GRID grid.252487.e, ISNI 0000 0000 8632 679X, Department of Chemistry, Faculty of Science, , New Valley University, ; Al-Kharga, 72511 Al-Wadi Al-Gadid Egypt
                [5 ]GRID grid.412144.6, ISNI 0000 0004 1790 7100, Department of Mathematics, College of Science, , King Khalid University, ; Abha, Saudi Arabia
                [6 ]GRID grid.440865.b, ISNI 0000 0004 0377 3762, Electrical Engineering, Faculty of Engineering and Technology, , Future University in Egypt, ; New Cairo, 11835 Egypt
                Article
                Publisher ID: 23025
                DOI: 10.1038/s41598-022-23025-y
                PMC ID: 9616940
                PubMed ID: 36307469
                SO-VID: 75ffacad-0221-4f11-9366-2519b0a44e30
                Copyright © © The Author(s) 2022
                License:

                Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

                History
                Date received : 21 August 2022
                Date accepted : 23 October 2022
                Categories
                Subject: Article
                Custom metadata
                issue-copyright-statement © The Author(s) 2022

                ScienceOpen disciplines: Uncategorized
                Keywords: mathematics and computing,physics
                Data availability:
                ScienceOpen disciplines: Uncategorized
                Keywords: mathematics and computing, physics

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