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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Lu, L., Shen, Y., Chen, X., Qian, L., and Lu, K., 2004, “Ultrahigh Strength and High Electrical Conductivity in Copper,” Science, 304(5669), pp. 422–426. [CrossRef] [PubMed]
Zhang, X., Wang, H., Chen, X. H., Lu, L., Lu, K., Hoagland, R. G., and Misra, A., 2006, “High-Strength Sputter-Deposited Cu Foils With Preferred Orientation of Nanoscale Growth Twins,” Appl. Phys. Lett., 88(17), p. 173116. [CrossRef]
Hodge, A. M., Wang, Y. M., and Barbee, Jr., T. W., 2008, “Mechanical Deformation of High-Purity Sputter-Deposited Nano-Twinned Copper,” Scr. Mater., 59(2), pp. 163–166. [CrossRef]
Lu, K., Lu, L., and Suresh, S., 2009, “Strengthening Materials by Engineering Coherent Internal Boundaries at the Nanoscale,” Science, 324(5925), pp. 349–352. [CrossRef] [PubMed]
Kulkarni, Y., Asaro, R. J., and Farkas, D., 2009, “Are Nano-Twinned Structures in FCC Metals Optimal for Strength, Ductility, and Grain Stability,” Scr. Mater., 60(7), pp. 532–535. [CrossRef]
Kulkarni, Y., and Asaro, R. J., 2009, “Are Some Nano-Twinned FCC Metals Optimal for Strength and Grain Stability,” Acta Mater., 57(16), pp. 4835–4844. [CrossRef]
Dao, M., Lu, L., Shen, Y. F., and Suresh, S., 2006, “Strength, Strain-Rate Sensitivity and Ductility of Copper With Nanoscale Twins,” Acta Mater., 54(20), pp. 5421–5432. [CrossRef]
Bezares, J., Jiao, S., Liu, Y., Bufford, D., Lu, L., Zhang, X., Kulkarni, Y., and Asaro, R. J., 2012, “Indentation of Nano-Twinned FCC Metals: Implications for Nano-Twin Stability,” Acta Mater., 60(11), pp. 4623–4635. [CrossRef]
Demkowicz, M., Anderoglu, O., Zhang, X., and Misra, A., 2011, “The Influence of Sigma 3 Twin Boundaries on the Formation of Radiation-Induced Defect Clusters in Nanotwinned Cu,” J. Mater. Res., 26(14), pp. 1666–1675. [CrossRef]
Yu, K. Y., Bufford, D., Sun, C., Liu, Y., Wang, H., Kirk, M. A., Li, M., and Zhang, X., 2013, “Removal of Stacking-Fault Tetrahedra by Twin Boundaries in Nanotwinned Metals,” Nat. Commun., 4(1377), pp. 1–7. [CrossRef]
Jang, D., Li, X., Gao, H., and Greer, J. R., 2012, “Deformation Mechanisms in Nanotwinned Metal Nanopillars,” Nat. Nanotechnol., 7(9), pp. 594–601. [CrossRef] [PubMed]
Wang, J., Sansoz, F., Huang, J., Liu, Y., Sun, S., Zhang, Z., and Mao, S. X., 2013, “Near-Ideal Theoretical Strength in Gold Nanowires Containing Angstrom Scale Twins,” Nat. Commun., 4(1742), pp. 1–8.
Hammami, F., and Kulkarni, Y., 2014, “Size Effects in Twinned Nanopillars,” J. Appl. Phys., 116(3), p. 033512. [CrossRef]
Mishin, Y., Mehl, M. J., Papaconstantopoulos, D. A., Voter, A. F., and Kress, J. D., 2001, “Structural Stability and Lattice Defects in Copper: Ab Initio, Tight-Binding, and Embedded-Atom Calculations,” Phys. Rev. B., 63(22), p. 224106. [CrossRef]
Plimpton, S. J., 1995, “Fast Parallel Algorithms for Short-Range Molecular Dynamics,” J. Comp. Phys., 117(1), pp. 1–19. [CrossRef]
Phillpot, S. R., 1992, “Thermoelastic Behavior of Grain-Boundary Superlattices,” J. Appl. Phys., 72(12), pp. 5606–5615. [CrossRef]
Klam, H. J., Hahn, H., and Gleiter, H., 1987, “The Thermal Expansion of Grain Boundaries,” Acta Metall., 35(8), pp. 2101–2104. [CrossRef]
Wagner, M., 1991, “Structure and Thermodynamics Properties of Nanocrystalline Metals,” Phys. Rev. B, 45(2), pp. 635–639. [CrossRef]
Jaszczak, J. A., and Wolf, D., 1992, “Thermoelastic Behavior of Structurally Disordered Interface Materials: Homogeneous Versus Inhomogeneous Effects,” Phys. Rev. B46(4), pp. 2473–2480. [CrossRef]
Lu, K., and Sui, M. L., 1995, “Thermal Expansion Behavior in Nanocrystalline Materials With a Wide Grain Size Range,” Acta Metall. Mater., 43(9), pp. 3325–3332. [CrossRef]
Chen, D., and Kulkarni, Y., “Entropic Interactions Between Fluctuating Twin Boundaries,” (to be submitted).


Grahic Jump Location
Fig. 1

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

Grahic Jump Location
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.

Grahic Jump Location
Fig. 3

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

Grahic Jump Location
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.

Grahic Jump Location
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.

Grahic Jump Location
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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