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An Object-Oriented Framework for Multidisciplinary, Multi-Physics, Computational Mechanics (1999)

Sahu, R. ; Panthaki, M.J. ; Gerstle, W.H.

Springer

Engineering with computers 15 (1999), S. 105-125

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ISSN: 1435-5663

Keywords: Key words.Analysis management; Computationalmechanics; Computational mechanics language

Source: Springer Online Journal Archives 1860-2000

Topics: Computer Science , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Technology

Notes: Abstract. This paper presents the design and development of an object-oriented framework for computational mechanics. The framework has been designed to address some of the major deficiencies in existing computational mechanics software packages. The framework addresses the deficiencies of existing computational mechanics software packages by (a) having a sound design using the state of the art in software engineering, and (b) providing model manipulation features that are common to a large set of computational mechanics problems. The framework provides features that are essential to a large set of computational mechanics problems. The domainspecific features provided by the framework are a geometry sub-system specifically designed for computational mechanics, an interpreted Computational Mechanics Language (CML), a structure for management of analysis projects, a comprehensive data model, model development, model query and analysis management. The domain independent features provided by the framework are a drawing subsystem for data visualization, a database server, a quantity subsystem, a simple GUI and an online help server. It is demonstrated that the framework can be used to develop applications that can: (a) extend or modify important parts of the framework to suit their own needs; (b) use CML for rapid prototyping and extending the functionality of the framework; (c) significantly ease the task of conducting parametric studies; (d) significantly ease the task of modeling evolutionary problems; (e) be easily interfaced with existing analysis programs; and (f) be used to carry out basic computational mechanics research. It is hoped that the framework will substantially ease the task of creating families of software applications that apply existing and upcoming theories of computational mechanics to solve both academic and real world interdisciplinary simulation problems.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/s003660050008

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Studies in nickel(IV) chemistry. Electron transfer kinetics of the reaction between tris(dimethylglyoximato)nickelate(IV) and hexacyanoferrate(II) in aqueous medium (1983)

Sahu, R. ; Neogi, G. ; Acharya, S. ; [et al.]

New York, NY : Wiley-Blackwell

International Journal of Chemical Kinetics 15 (1983), S. 823-833

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ISSN: 0538-8066

Keywords: Chemistry ; Physical Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: The kinetics of electron transfer from hexacyanoferrate(II) to tris(dimethylglyoximato)-nickelate(IV), Ni(dmg)32-, to produce Fe(CN)63- and Ni(dmgH)2, follows a pseudo-first-order disappearance in the Ni(IV). The pseudo-first-order rate constants kobs are linearly dependent on [Fe(CN)64-]0 in a fiftyfold range of 2 × 10-4-1 × 10-2M, and the average values of kobs/[Fe(CN)64-]0 range from 194M-1·s-1 at pH = 5.20 to 0.2M-1·s-1 at pH = 9.07 in aqueous medium at 35°C and μ = 0.57M. Results are interpreted in terms of a probable mechanism involving rate-determining outer sphere one-electron transfer steps from the reductant and one-protonated reductant species to the unprotonated and one-protonated Ni(IV) species present in solution. The more electrophilic one-protonated reductant species apparently reacts several orders of magnitude faster than the unprotonated one.

Additional Material: 1 Ill.