Research Papers

Atomistic Study of the Thermal Stress due to Twin Boundaries

[+] Author and Article Information
Dengke Chen

Department of Mechanical Engineering,
University of Houston,
Houston, TX 77204

Yashashree Kulkarni

Department of Mechanical Engineering,
University of Houston,
Houston, TX 77204
e-mail: ykulkarni@uh.edu

1Corresponding author.

Contributed by the Applied Mechanics Division of ASME for publication in the JOURNAL OF APPLIED MECHANICS. Manuscript received November 11, 2014; final manuscript received December 16, 2014; accepted manuscript posted December 18, 2014; published online January 7, 2015. Assoc. Editor: Chad M. Landis.

J. Appl. Mech 82(2), 021005 (Feb 01, 2015) (4 pages) Paper No: JAM-14-1516; doi: 10.1115/1.4029405 History: Received November 11, 2014; Revised December 16, 2014; Accepted December 18, 2014; Online January 07, 2015

There is compelling evidence for the critical role of twin boundaries in imparting the extraordinary combination of strength and ductility to nanotwinned metals. This paper presents a study of the thermal expansion of coherent twin boundaries (CTBs) at finite temperature by way of atomistic simulations. The simulations reveal that for all twin boundary spacings d, the thermal expansion induced stress varies as 1/d. This surprisingly long-range effect is attributed to the inhomogeneity in the thermal expansion coefficient due to the interfacial regions.

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Fig. 1

Atomistic structure of a nanotwinned specimen showing the crystallographic orientation. The specimen contains three equally spaced CTBs separated by distance d.

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Fig. 2

Variation of the stress σ with CTB density 1/d, for specimens with different height (H) at 800 K. All cases show a linear relation.

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Fig. 3

Atomistic structure of a typical specimen containing three equally spaced CTBs (N = 3) with different spacings d, and hence different specimen heights.

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Fig. 4

Variation of the stress σ with CTB density, 1/d, for specimen with different number of CTBs, N, at 800 K. All cases show a linear dependence.

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Fig. 5

Schematic of a CTB superlattice of 2d length. There is an interface region (hatched area) of width Λ around each TB (shown by the dotted line in the middle). The hatched area on either ends is of width Λ/2 due to periodicity. The rest of the region is considered a perfect crystal.

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Fig. 6

Variation of the Young's Modulus for single crystal (ESL) and nanotwinned (ENT) specimen with CTB spacing d at 800 K




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