Search for dissertations about: "MD simulations"
Showing result 6 - 10 of 141 swedish dissertations containing the words MD simulations.
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6. Shear Fracture and Delamination in Packaging Materials : A study of Experimental Methods and Simulation Techniques
Abstract : Packages are the means of preservation, distribution and convenience of use for food, medicine and other consumer products. Package opening is becoming complicated in many cases because of cutting cost in design and production of opening techniques. READ MORE
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7. Fracture and Delamination in Packaging Materials : A Study of Experimental Methods and Simulation Techniques
Abstract : Packages are the means of preservation, distribution and convenience of use for food, medicine and other consumer products. The introduction of a new package-opening technique for a better opening experience requires additional prototype development and physical testing. READ MORE
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8. Algorithms for Molecular Dynamics Simulations
Abstract : Methods for performing large-scale parallel Molecular Dynamics(MD) simulations are investigated. A perspective on the field of parallel MD simulations is given. Hardware and software aspects are characterized and the interplay between the two is briefly discussed. READ MORE
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9. Conformations of Flexible Oligosaccharides : Molecular Simulations and NMR spectroscopy
Abstract : The conformational preferences of several oligosaccharides are investigated herein using a combination of NMR spectroscopy and molecular dynamics (MD) simulations, focusing on the torsion angles associated with the glycosidic linkages.Strategies for obtaining usable J-HMBC spectra for carbons with an adjacent 13C label are described. READ MORE
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10. Evaluation of the Tactoid Formation in Clay Systems
Abstract : Clay minerals consist of anisotropic nanoplatelets where the majority of the clay minerals are highly charged, and thus, swell in aqueous solution. The structure and swelling depend on the type of clay mineral, and also on the ionic composition, and temperature. READ MORE