Oleynik, Ivan I. and Landerville, Aaron C. and Zybin, Sergey V. and Elert, Mark L. and White, Carter T. (2008) Shear stresses in shock-compressed diamond from density functional theory. Physical Review B, 78 (18). Art. No. 180101(R). ISSN 1098-0121 http://resolver.caltech.edu/CaltechAUTHORS:OLEprb08
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Abstract
We report density functional theory (DFT) results for the shear stresses of uniaxially compressed diamond under conditions corresponding to strong shock wave compression. A nonmonotonic dependence of shear stresses on uniaxial strain was discovered in all three low-index crystallographic directions: <100>, <110>, and <111>. For <100> compression the shear stress even becomes negative in the region near the minimum of the shear stress-strain curve. The DFT results suggest that anomalous elastic regime observed in recent molecular dynamics shock simulations is a real phenomenon caused by a significant delay or even freezing of the plastic response.
| Item Type: | Article | ||||||
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| Additional Information: | © 2008 The American Physical Society. (Received 9 September 2008; published 20 November 2008) This work was supported by the U.S. Office of Naval Research (ONR) both directly and through the Naval Research Laboratory (NRL). The computations were performed using NSF Teragrid computational facilities (Grant No. TG-DMR070018N). | ||||||
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| Subject Keywords: | density functional theory; diamond; elasticity; plasticity; shock wave effects; stress-strain relations | ||||||
| Record Number: | CaltechAUTHORS:OLEprb08 | ||||||
| Persistent URL: | http://resolver.caltech.edu/CaltechAUTHORS:OLEprb08 | ||||||
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| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||
| ID Code: | 12414 | ||||||
| Collection: | CaltechAUTHORS | ||||||
| Deposited By: | Archive Administrator | ||||||
| Deposited On: | 25 Nov 2008 00:22 | ||||||
| Last Modified: | 26 Dec 2012 10:31 |
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