A Molecular Dynamics Study on Tension Deformation Behavior in Magnesium Nanocrystals

A Molecular Dynamics Study on Tension Deformation Behavior in Magnesium Nanocrystals

Bibliographic Details
Main Author: Xi, Dalei
Language:English
Published: University of Cincinnati / OhioLINK 2018
Subjects:
Materials Science
Molecular Dynamics Simulation
Magnesium single crystals
Magnesium polycrystalline
Tensile Test
Online Access:http://rave.ohiolink.edu/etdc/view?acc_num=ucin1522414751427552
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spelling ndltd-OhioLink-oai-etd.ohiolink.edu-ucin15224147514275522021-08-03T07:05:42Z A Molecular Dynamics Study on Tension Deformation Behavior in Magnesium Nanocrystals Xi, Dalei Materials Science Molecular Dynamics Simulation Magnesium single crystals Magnesium polycrystalline Tensile Test Magnesium has been considered an excellent candidate as lightweight structural material for many years, but the low ductility caused by its plastic deformation mechanism has always been a limitation of extensive application.In this work, we use molecular dynamics approach to simulate tensile test on single crystal and polycrystalline magnesium to investigate its tensile behavior and plastic deformation mechanism. In each tensile simulation on single crystal magnesium, we applied extensions with constant strain rate along each of the [1-210], [10-10] and [0001] direction at the temperature of 100 K, 200 K, 300 K, 400K and 500 K. Fromthese simulation, magnesium nanocrystals has shown strong anisotropy that the loading direction significantly influence the tensile strength as well as the deformation mechanism. At the same time, temperature plays an important role during the plastic deformation of magnesium. We also performed tension simulations on polycrystalline magnesium nanocrystals with number of grains equal to 1, 2, 3, 4 and 5 which are randomly generated using Voronoi tessellation. These simulations prove that the grain boundaries in polycrystalline models play a dominant role affecting the tensile behavior of magnesium. Grain boundaries affect the tensile strength, the formation of cracks and they act as source for slips and deformation twins. 2018-09-28 English text University of Cincinnati / OhioLINK http://rave.ohiolink.edu/etdc/view?acc_num=ucin1522414751427552 http://rave.ohiolink.edu/etdc/view?acc_num=ucin1522414751427552 unrestricted This thesis or dissertation is protected by copyright: some rights reserved. It is licensed for use under a Creative Commons license. Specific terms and permissions are available from this document's record in the OhioLINK ETD Center.
collection NDLTD
language English
sources NDLTD
topic Materials Science
Molecular Dynamics Simulation
Magnesium single crystals
Magnesium polycrystalline
Tensile Test
spellingShingle Materials Science
Molecular Dynamics Simulation
Magnesium single crystals
Magnesium polycrystalline
Tensile Test
Xi, Dalei
A Molecular Dynamics Study on Tension Deformation Behavior in Magnesium Nanocrystals
author Xi, Dalei
author_facet Xi, Dalei
author_sort Xi, Dalei
title A Molecular Dynamics Study on Tension Deformation Behavior in Magnesium Nanocrystals
title_short A Molecular Dynamics Study on Tension Deformation Behavior in Magnesium Nanocrystals
title_full A Molecular Dynamics Study on Tension Deformation Behavior in Magnesium Nanocrystals
title_fullStr A Molecular Dynamics Study on Tension Deformation Behavior in Magnesium Nanocrystals
title_full_unstemmed A Molecular Dynamics Study on Tension Deformation Behavior in Magnesium Nanocrystals
title_sort molecular dynamics study on tension deformation behavior in magnesium nanocrystals
publisher University of Cincinnati / OhioLINK
publishDate 2018
url http://rave.ohiolink.edu/etdc/view?acc_num=ucin1522414751427552
work_keys_str_mv AT xidalei amoleculardynamicsstudyontensiondeformationbehaviorinmagnesiumnanocrystals
AT xidalei moleculardynamicsstudyontensiondeformationbehaviorinmagnesiumnanocrystals
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