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Modeling the Deformation of Engineered Nano-Layered Structures by Computer Simulations

Author :
Publisher :
Page : 16 pages
File Size : 46,90 MB
Release : 2006
Category :
ISBN :

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We developed here fundamental models of plasticity, based on dislocation dynamics and atomistic computer simulation methods for the prediction of the strength and plastic deformation at the nano-to-micro-length scales. The models are applied to the simulation of plastic flow in ultra-strong nano-laminates. The developed methods are: (1) An ab-initio based hybrid approach based on an extension of the parametric dislocation dynamics (DD) to bi-materials where the dislocation spreading over the interface is explicitly accounted; (2) a hybrid ab initio-discrete dislocation dynamics model to study the core structure in straight and curved dislocations, with application to single layers and across material interfaces; (3) Molecular dynamics (MD) modeling of dislocation motion and deformation in nano-layered composite materials and twins; and (4) Dislocation Dynamics (DD) modeling of dislocation motion and deformation modes of anisotropic, nano-layered composite materials.

Structure and Mechanical Properties of Nanophase Materials - Theory and Computer Simulations vs. Experiment: Volume 634

Author : Diana Farkas
Publisher : Cambridge University Press
Page : 330 pages
File Size : 31,81 MB
Release : 2014-06-05
Category : Technology & Engineering
ISBN : 9781107412972

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Nanocrystalline materials exhibit a broad range of fascinating mechanical properties. The mechanical behavior of nanostructured materials may best be optimized through a comprehensive understanding of the relations between materials processes, internal structure, length scale and deformation mechanisms. Recent advances in computer modeling are bringing new insight into the deformation processes in nanocrystalline materials. This book discusses the present state of understanding on strength- and ductility-limiting factors in nanostructured materials; clarify issues pertinent to the production and engineering of superior nanostructured materials; and stimulate discussion of potential applications. Nanostructured materials of interest include metals, ceramics and composites in bulk form, thin films and layered structures. Topics include: mechanical properties and deformation behavior; mechanical properties and deformation behavior - bulk materials; mechanical properties and deformation behavior - multilayers; mechanical properties and deformation behavior - softening at very small grain sizes; ceramic materials; and clusters and other nanostructures

Development of Many-body Potential for Deformation Study in Al-TiN Nanolayered Composites

Author : Paul Simanjuntak
Publisher :
Page : 234 pages
File Size : 48,60 MB
Release : 2017
Category : Ceramic metals
ISBN :

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A novel interatomic potential of ternary Al-TiN has been developed to study the deformation behavior of Al-TiN nanolaminates. The ternary nanolayered Al-TiN composite has attracted a lot of interest due to its combination of strength and ductility. The current analysis on the system has been primarily concentrated on continuum models which are inadequate to explain the key deformation events such as nucleation and interaction of dislocations. Progress in the preferred atomistic approach has been hampered however by the lack of available interatomic potential optimized for the ternary system. I developed a many-body potential based on embedded atomic model (EAM) by employing the force-fitting code Potfit to sample the energy and force data generated from the ab-initio molecular dynamics simulations of the ternary system using VASP code. The potential’s analytical EAM function was subsequently optimized and utilized to simulate structures of bulk Al & TiN and Al-TiN nanolaminates. I then focused on modeling the deformation behavior of Al-TiN multilayers under compression through classical molecular dynamics simulations. I found that the total bilayer thickness as well as volume ratio between TiN and Al nanolayers play a major role in controlling the dislocation nucleation and mobility and the stress accumulation at the layer interface and thus determine the deformation behavior and failure mechanisms of the nanolayered composites.

Multifunctional Materials and Modeling

Author : M. A. Korepanov
Publisher : CRC Press
Page : 365 pages
File Size : 28,79 MB
Release : 2015-06-10
Category : Science
ISBN : 1498709540

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This important book presents a valuable collection of new research and new trends in nanomaterials, mesoscopy, quantum chemistry, and chemical physics processes. It highlights the development of nanomaterials as well as investigation of combustion and explosion processes. It highlights new trends in processes and methods of the treatment of polymer

Tenth European Powder Diffraction Conference

Author :
Publisher : Walter de Gruyter GmbH & Co KG
Page : 692 pages
File Size : 43,83 MB
Release : 2015-10-29
Category : Science
ISBN : 3486992546

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Zeitschrift für Kristallographie. Supplement Volume 26 presents the complete Proceedings of all contributions to the X European Powder Diffraction Conference in Geneva 2006: Method Development and Application Instrumental Software Development Materials Supplement Series of Zeitschrift für Kristallographie publishes Proceedings and Abstracts of international conferences on the interdisciplinary field of crystallography.

Shell Structures: Theory and Applications

Author : Wojciech Pietraszkiewicz
Publisher : CRC Press
Page : 600 pages
File Size : 44,14 MB
Release : 2013-09-18
Category : Technology & Engineering
ISBN : 1482229080

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Shells are basic structural elements of modern technology and everyday life. Examples are automobile bodies, water and oil tanks, pipelines, aircraft fuselages, nanotubes, graphene sheets or beer cans. Also nature is full of living shells such as leaves of trees, blooming flowers, seashells, cell membranes, the double helix of DNA or wings of insec

Multiscale Modelling and Simulation of Deformation and Strength of Nanoscale Metallic Multilayer Systems

Author : Niaz Abdolrahim
Publisher :
Page : pages
File Size : 10,38 MB
Release : 2013
Category :
ISBN : 9781303240348

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The objective of this research is to investigate the deformation behaviors of two types of NMMs at lower length scales: 1) One dimensional Cu-Ni, Au-Ni nanowires with coherent interfaces and 2) Two dimensional Cu-Nb multilayers with incoherent interfaces.

Nanodesign, Technology, and Computer Simulations

Author : Alexander I. Melker
Publisher : SPIE-International Society for Optical Engineering
Page : 328 pages
File Size : 22,69 MB
Release : 2007
Category : Computers
ISBN :

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Proceedings of SPIE present the original research papers presented at SPIE conferences and other high-quality conferences in the broad-ranging fields of optics and photonics. These books provide prompt access to the latest innovations in research and technology in their respective fields. Proceedings of SPIE are among the most cited references in patent literature.