Molecular dynamics simulation of FCC metallic nanowires: A review

Jijun Lao; Mehdi Naghdi Tam; Dinesh Pinisetty; Nikhil Gupta

doi:10.1007/s11837-012-0465-3

Molecular dynamics simulation of FCC metallic nanowires: A review

Jijun Lao, Mehdi Naghdi Tam, Dinesh Pinisetty, Nikhil Gupta

Mechanical and Aerospace Engineering

Research output: Contribution to journal › Review article › peer-review

Abstract

Molecular dynamic simulation studies are reviewed to understand the influence of strain rate, temperature, and cross-section size on the mechanical properties of face-centered cubic (FCC) metallic nanowires (MNWs). The yield stress of FCC MNWs is found to be 100 times higher than that of the corresponding bulk metals. The yield strain and fracture stress of MNWs are also found to be significantly higher compared with those of the bulk metals. The influence of deformation mechanisms (slip and twinning) on the mechanical properties of FCC MNWs is discussed. FCC MNWs are found to exhibit novel structural reorientation, phase transformation, elastic recovery, pseudoelasticity, and shape memory effect. MNWs with body-centered cubic (BCC) and hexagonal closed-packed crystal structures are compared with the FCC MNWs. Pseudoelasticity was also observed in BCC MNWs similar to that of FCC MNWs. Dense nano-twin arrays were found in Mg nanowires despite the high twin boundary energy.

Original language	English (US)
Pages (from-to)	175-184
Number of pages	10
Journal	JOM
Volume	65
Issue number	2
DOIs	https://doi.org/10.1007/s11837-012-0465-3
State	Published - Feb 2013

ASJC Scopus subject areas

General Materials Science
General Engineering

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10.1007/s11837-012-0465-3

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title = "Molecular dynamics simulation of FCC metallic nanowires: A review",

abstract = "Molecular dynamic simulation studies are reviewed to understand the influence of strain rate, temperature, and cross-section size on the mechanical properties of face-centered cubic (FCC) metallic nanowires (MNWs). The yield stress of FCC MNWs is found to be 100 times higher than that of the corresponding bulk metals. The yield strain and fracture stress of MNWs are also found to be significantly higher compared with those of the bulk metals. The influence of deformation mechanisms (slip and twinning) on the mechanical properties of FCC MNWs is discussed. FCC MNWs are found to exhibit novel structural reorientation, phase transformation, elastic recovery, pseudoelasticity, and shape memory effect. MNWs with body-centered cubic (BCC) and hexagonal closed-packed crystal structures are compared with the FCC MNWs. Pseudoelasticity was also observed in BCC MNWs similar to that of FCC MNWs. Dense nano-twin arrays were found in Mg nanowires despite the high twin boundary energy.",

author = "Jijun Lao and {Naghdi Tam}, Mehdi and Dinesh Pinisetty and Nikhil Gupta",

note = "Funding Information: This work is partly supported by the Office of Naval Research under Grant N00014-10-1-0988 with Dr. Yapa D.S. Rajapakse as the program manager. Dr. Dorel Moldovan from Louisiana State University and Dr. Rakesh Behera from Georgia Institute of Technology are acknowledged for their constructive suggestions.",

year = "2013",

month = feb,

doi = "10.1007/s11837-012-0465-3",

language = "English (US)",

volume = "65",

pages = "175--184",

journal = "JOM",

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T2 - A review

AU - Lao, Jijun

AU - Naghdi Tam, Mehdi

AU - Pinisetty, Dinesh

AU - Gupta, Nikhil

N1 - Funding Information: This work is partly supported by the Office of Naval Research under Grant N00014-10-1-0988 with Dr. Yapa D.S. Rajapakse as the program manager. Dr. Dorel Moldovan from Louisiana State University and Dr. Rakesh Behera from Georgia Institute of Technology are acknowledged for their constructive suggestions.

PY - 2013/2

Y1 - 2013/2

N2 - Molecular dynamic simulation studies are reviewed to understand the influence of strain rate, temperature, and cross-section size on the mechanical properties of face-centered cubic (FCC) metallic nanowires (MNWs). The yield stress of FCC MNWs is found to be 100 times higher than that of the corresponding bulk metals. The yield strain and fracture stress of MNWs are also found to be significantly higher compared with those of the bulk metals. The influence of deformation mechanisms (slip and twinning) on the mechanical properties of FCC MNWs is discussed. FCC MNWs are found to exhibit novel structural reorientation, phase transformation, elastic recovery, pseudoelasticity, and shape memory effect. MNWs with body-centered cubic (BCC) and hexagonal closed-packed crystal structures are compared with the FCC MNWs. Pseudoelasticity was also observed in BCC MNWs similar to that of FCC MNWs. Dense nano-twin arrays were found in Mg nanowires despite the high twin boundary energy.

AB - Molecular dynamic simulation studies are reviewed to understand the influence of strain rate, temperature, and cross-section size on the mechanical properties of face-centered cubic (FCC) metallic nanowires (MNWs). The yield stress of FCC MNWs is found to be 100 times higher than that of the corresponding bulk metals. The yield strain and fracture stress of MNWs are also found to be significantly higher compared with those of the bulk metals. The influence of deformation mechanisms (slip and twinning) on the mechanical properties of FCC MNWs is discussed. FCC MNWs are found to exhibit novel structural reorientation, phase transformation, elastic recovery, pseudoelasticity, and shape memory effect. MNWs with body-centered cubic (BCC) and hexagonal closed-packed crystal structures are compared with the FCC MNWs. Pseudoelasticity was also observed in BCC MNWs similar to that of FCC MNWs. Dense nano-twin arrays were found in Mg nanowires despite the high twin boundary energy.

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Molecular dynamics simulation of FCC metallic nanowires: A review

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