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

Modeling the Deformation of Engineered Nano-Layered Structures by Computer Simulations PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 16

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Book Description
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.

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

Modeling the Deformation of Engineered Nano-Layered Structures by Computer Simulations PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 16

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Book Description
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

Structure and Mechanical Properties of Nanophase Materials - Theory and Computer Simulations vs. Experiment: Volume 634 PDF Author: Diana Farkas
Publisher: Cambridge University Press
ISBN: 9781107412972
Category : Technology & Engineering
Languages : en
Pages : 330

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Book Description
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

Development of Many-body Potential for Deformation Study in Al-TiN Nanolayered Composites PDF Author: Paul Simanjuntak
Publisher:
ISBN:
Category : Ceramic metals
Languages : en
Pages : 234

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Book Description
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

Multifunctional Materials and Modeling PDF Author: M. A. Korepanov
Publisher: CRC Press
ISBN: 1498709540
Category : Science
Languages : en
Pages : 365

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Book Description
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

Tenth European Powder Diffraction Conference PDF Author:
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3486992546
Category : Science
Languages : en
Pages : 692

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Book Description
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.

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

Multiscale Modelling and Simulation of Deformation and Strength of Nanoscale Metallic Multilayer Systems PDF Author: Niaz Abdolrahim
Publisher:
ISBN: 9781303240348
Category :
Languages : en
Pages :

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Book Description
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.

Shell Structures: Theory and Applications

Shell Structures: Theory and Applications PDF Author: Wojciech Pietraszkiewicz
Publisher: CRC Press
ISBN: 1138000825
Category : Technology & Engineering
Languages : en
Pages : 602

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Book Description
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 insects. In the human body arteries, the shell of the eye, the diaphragm, the skin or the pericardium are all shells as well. Shell Structures: Theory and Applications, Volume 3 contains 137 contributions presented at the 10th Conference “Shell Structures: Theory and Applications” held October 16-18, 2013 in Gdansk, Poland. The papers cover a wide spectrum of scientific and engineering problems which are divided into seven broad groups: general lectures, theoretical modelling, stability, dynamics, bioshells, numerical analyses, and engineering design. The volume will be of interest to researchers and designers dealing with modelling and analyses of shell structures and thin-walled structural elements.

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

Structure and Mechanical Properties of Nanophase Materials - Theory and Computer Simulations Vs. Experiment: Volume 634 PDF Author: Diana Farkas
Publisher:
ISBN:
Category : Technology & Engineering
Languages : en
Pages : 338

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Book Description
The MRS Symposium Proceeding series is an internationally recognised reference suitable for researchers and practitioners.

Nanodesign, Technology, and Computer Simulations

Nanodesign, Technology, and Computer Simulations PDF Author: Alexander I. Melker
Publisher: SPIE-International Society for Optical Engineering
ISBN:
Category : Computers
Languages : en
Pages : 328

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Book Description
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.

Dekker Encyclopedia of Nanoscience and Nanotechnology

Dekker Encyclopedia of Nanoscience and Nanotechnology PDF Author: James A. Schwarz
Publisher: CRC Press
ISBN: 9780824750497
Category : Science
Languages : en
Pages : 974

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Book Description