BoD – Books on Demand, Aug 1, 2018 - Computers - 100 pages
This book is devoted to a description of the modeling of nanosystems and a detailed exposition of the application of molecular dynamics methods to problems from various fields of technology: material science, the formation of composite molecular complexes, and transport of nanosystems. The research results of the modeling of various nanosystems are presented: soft supramolecular nanostructures, nanosized beams of single-crystal Cu, metallic nanosized crystals, drug delivery systems, and systems stabilized by hydrogen bonds. The information from this book will be useful for engineers, technologists, researchers, and postgraduate students interested in the study of the whole complex of computer simulation based on the concept of molecular dynamics methods for the task of designing and producing nanomaterials with controlled properties.
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Modeling Soft Supramolecular Nanostructures by Molecular
Atomic Mechanisms Governing Strength of Metallic Nanosized
Effects of Voids in Tensile SingleCrystal Cu Nanobeams
Molecular Dynamics Simulations to Study Drug
atomistic simulations bcc metals beam bilayer binding charge density Chemical Physics Chemical Theory Chipot compression Computational Chemistry cross section crystallographic orientations cyclodextrin decrease defect-free deformation diameter dimerization distribution drug delivery systems effect electron ensemble etidocaine experimental Figure fluctuation force field formation free-energy calculations GROMACS guest molecules host host-guest complexes host-guest systems hydrogen bonds hydrostatic tension initiation interactions Journal of Chemical Journal of Physical Kotrechko lipid liposomes MD simulation methods modeling molecular dynamics molecular dynamics simulations nanocrystals nanoneedles nanoparticles nanopillars nanoscale nanosized crystals nanospecimen nanostructures nanosystems Nanotechnology nanowires non-covalent non-equilibrium Physical Chemistry plastic PLCs potential prilocaine properties protein protonated reaction coordinate realised regions rupture shear instability shear stresses single-crystal specimen strain strength of nanosized structure surface layer surface tension temperature dependence tensile stresses Theory and Computation thermodynamic tion transition tungsten umbrella sampling uniform triaxial tension vesicle