Orientation dependent spall strength of tantalum single crystals

Hahn, Eric Nicholas; Gray, George Thompson III; Germann, Timothy Clark; Fensin, Saryu Jindal

doi:10.1016/j.actamat.2018.07.073

Orientation dependent spall strength of tantalum single crystals

Journal Article · Fri Aug 03 00:00:00 EDT 2018 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2018.07.073· OSTI ID:1467282

^[1]; ^[1]; ^[1]; ^[1]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

We report that it is generally recognized that single crystals exhibit orientation-dependent elastic and plastic responses. However, it is less known how the dynamic tensile, or spall, strength depends on crystalline orientation, especially for BCC materials. It has been previously shown that the dynamic tensile strength of FCC materials is highly dependent on their plastic response under compression, with a direct correlation between plastic deformation and spall strength. In BCC materials like Ta, where the primary deformation mechanism at high strain rates is a combination of slip and twinning, the quantitative dependence of spall strength on these deformation mechanisms is less understood. To fill this gap in our knowledge, a series of non-equilibrium molecular dynamics simulations are completed for six tantalum single crystal orientations: <001>, <011>, <111>, <013>, <112>, <149>, to explore the role of directional anisotropy on ductile spallation. Our results show that due to the role of non-Schmid and release effects in BCC Ta, the evolution of plasticity follows a complex trajectory through shock compression, release, and tension. Orientations that contain residual twinning deformation have a reduced spall strength proportional to the amount of twinning present. Lastly, twins and their intersections function as regions of increased stress localization within the system due to compatibility requirements and their interactions with dislocations.

View Accepted Manuscript (DOE)

Research Organization:: Los Alamos National Laboratory (LANL)

Sponsoring Organization:: Laboratory Directed Research and Development (LDRD); USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1467282

Alternate ID(s):: OSTI ID: 1703855
OSTI ID: 22744824

Report Number(s):: LA-UR-18-22656

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Journal Issue: C Vol. 159; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (61)

Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
Atomistic computer simulations of shock waves Holian, B. L. Shock Waves, Vol. 5, Issue 3 https://doi.org/10.1007/BF01435522	journal	October 1995
Effect of microstructural length scales on spall behavior of copper Minich, Roger W.; Cazamias, James U.; Kumar, Mukui Metallurgical and Materials Transactions A, Vol. 35, Issue 9 https://doi.org/10.1007/s11661-004-0212-7	journal	September 2004
Plastic deformation of tantalum single crystals Byron, J. F.; Hull, D. Journal of the Less Common Metals, Vol. 13, Issue 1 https://doi.org/10.1016/0022-5088(67)90048-3	journal	July 1967
Plastic deformation of tantalum single crystals Byron, J. F. Journal of the Less Common Metals, Vol. 14, Issue 2 https://doi.org/10.1016/0022-5088(68)90115-X	journal	February 1968
Dynamic fracture (spalling) of metals Meyers, Marc André; Taylor Aimone, Catherine Progress in Materials Science, Vol. 28, Issue 1 https://doi.org/10.1016/0079-6425(83)90003-8	journal	January 1983
Dynamic failure of solids Curran, D. Physics Reports, Vol. 147, Issue 5-6 https://doi.org/10.1016/0370-1573(87)90049-4	journal	March 1987
Does dislocation density have a natural limit? Cotterill, R. M. J. Physics Letters A, Vol. 60, Issue 1 https://doi.org/10.1016/0375-9601(77)90321-8	journal	January 1977
Micromechanics of spall and damage in tantalum Zurek, A. K.; Thissell, W. R.; Johnson, J. N. Journal of Materials Processing Technology, Vol. 60, Issue 1-4 https://doi.org/10.1016/0924-0136(96)02340-0	journal	June 1996
Shock-induced deformation twinning and omega transformation in tantalum and tantalum–tungsten alloys Hsiung, L. M.; Lassila, D. H. Acta Materialia, Vol. 48, Issue 20 https://doi.org/10.1016/S1359-6454(00)00287-1	journal	December 2000
The onset of twinning in metals: a constitutive description Meyers, M. A.; Vöhringer, O.; Lubarda, V. A. Acta Materialia, Vol. 49, Issue 19 https://doi.org/10.1016/S1359-6454(01)00300-7	journal	November 2001
Laser compression of monocrystalline tantalum Lu, C. H.; Remington, B. A.; Maddox, B. R. Acta Materialia, Vol. 60, Issue 19 https://doi.org/10.1016/j.actamat.2012.08.026	journal	November 2012
Effect of loading direction on grain boundary failure under shock loading Fensin, S. J.; Escobedo-Diaz, J. P.; Brandl, C. Acta Materialia, Vol. 64 https://doi.org/10.1016/j.actamat.2013.11.026	journal	February 2014
On the ultimate tensile strength of tantalum Hahn, Eric N.; Germann, Timothy C.; Ravelo, Ramon Acta Materialia, Vol. 126 https://doi.org/10.1016/j.actamat.2016.12.033	journal	March 2017
The defect evolution in shock loaded tantalum single crystals Pang, B.; Case, S.; Jones, I. P. Acta Materialia, Vol. 148 https://doi.org/10.1016/j.actamat.2017.11.052	journal	April 2018
Intragranular void formation in shock-spalled tantalum: Mechanisms and governing factors Cheng, M.; Li, C.; Tang, M. X. Acta Materialia, Vol. 148 https://doi.org/10.1016/j.actamat.2018.01.029	journal	April 2018
Orientation-dependent response of defective Tantalum single crystals Tramontina, Diego; Ruestes, Carlos; Tang, Yizhe Computational Materials Science, Vol. 90 https://doi.org/10.1016/j.commatsci.2014.03.069	journal	July 2014
Anomalous plasticity of body-centered-cubic crystals with non-Schmid effect Cho, Hansohl; Bronkhorst, Curt A.; Mourad, Hashem M. International Journal of Solids and Structures, Vol. 139-140 https://doi.org/10.1016/j.ijsolstr.2018.01.029	journal	May 2018
Deformation twinning in explosively-driven tantalum Livescu, V.; Bingert, J. F.; Mason, T. A. Materials Science and Engineering: A, Vol. 556 https://doi.org/10.1016/j.msea.2012.06.071	journal	October 2012
Inverse Hall–Petch relationship in nanocrystalline tantalum Tang, Yizhe; Bringa, Eduardo M.; Meyers, Marc A. Materials Science and Engineering: A, Vol. 580 https://doi.org/10.1016/j.msea.2013.05.024	journal	September 2013
Deformation and failure in extreme regimes by high-energy pulsed lasers: A review Remington, Tane P.; Remington, Bruce A.; Hahn, Eric N. Materials Science and Engineering: A, Vol. 688 https://doi.org/10.1016/j.msea.2017.01.114	journal	March 2017
Interplay of dislocation slip and deformation twinning in tantalum at high strain rates Chen, C. Q.; Hu, G.; Florando, J. N. Scripta Materialia, Vol. 69, Issue 10 https://doi.org/10.1016/j.scriptamat.2013.07.010	journal	November 2013
Competing twinning mechanisms in body-centered cubic metallic nanowires Shi, Zhe; Singh, Chandra Veer Scripta Materialia, Vol. 113 https://doi.org/10.1016/j.scriptamat.2015.11.006	journal	March 2016
Symmetric tilt boundaries in body-centered cubic tantalum Hahn, Eric N.; Fensin, Saryu J.; Germann, Timothy C. Scripta Materialia, Vol. 116 https://doi.org/10.1016/j.scriptamat.2016.01.038	journal	April 2016
Probing the limits of metal plasticity with molecular dynamics simulations Zepeda-Ruiz, Luis A.; Stukowski, Alexander; Oppelstrup, Tomas Nature, Vol. 550, Issue 7677 https://doi.org/10.1038/nature23472	journal	September 2017
In situ X-ray diffraction measurement of shock-wave-driven twinning and lattice dynamics Wehrenberg, C. E.; McGonegle, D.; Bolme, C. Nature, Vol. 550, Issue 7677 https://doi.org/10.1038/nature24061	journal	October 2017
A primer on selecting grain boundary sets for comparison of interfacial fracture properties in molecular dynamics simulations Dingreville, Rémi; Aksoy, Doruk; Spearot, Douglas E. Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-08637-z	journal	August 2017
Anisotropy and Strain Localization in Dynamic Impact Experiments of Tantalum Single Crystals Lim, Hojun; Carroll, Jay D.; Battaile, Corbett C. Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-23879-1	journal	April 2018
Phase Transformation in Tantalum under Extreme Laser Deformation Lu, C. -H.; Hahn, E. N.; Remington, B. A. Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep15064	journal	October 2015
Behaviour of metals at ultra-high strain rate by using femtosecond laser shockwaves Cuq-Lelandais, J. -P.; Boustie, M.; Berthe, L. EPJ Web of Conferences, Vol. 26 https://doi.org/10.1051/epjconf/20122604013	journal	January 2012
Atomistic simulations of shock induced microstructural evolution and spallation in single crystal nickel Srinivasan, S. G.; Baskes, M. I.; Wagner, G. J. Journal of Applied Physics, Vol. 101, Issue 4 https://doi.org/10.1063/1.2423084	journal	February 2007
Shock-induced spall in solid and liquid Cu at extreme strain rates Luo, Sheng-Nian; An, Qi; Germann, Timothy C. Journal of Applied Physics, Vol. 106, Issue 1 https://doi.org/10.1063/1.3158062	journal	July 2009
Effect of pulse duration and strain rate on incipient spall fracture in copper Johnson, J. N.; Gray, G. T.; Bourne, N. K. Journal of Applied Physics, Vol. 86, Issue 9 https://doi.org/10.1063/1.371527	journal	November 1999
Spall response of 1100-O aluminum Williams, C. L.; Ramesh, K. T.; Dandekar, D. P. Journal of Applied Physics, Vol. 111, Issue 12 https://doi.org/10.1063/1.4729305	journal	June 2012
Influence of grain boundary properties on spall strength: Grain boundary energy and excess volume Fensin, S. J.; Valone, S. M.; Cerreta, E. K. Journal of Applied Physics, Vol. 112, Issue 8 https://doi.org/10.1063/1.4761816	journal	October 2012
Analysis of deformation twinning in tantalum single crystals under shock loading conditions Florando, Jeffrey N.; Barton, Nathan R.; El-Dasher, Bassem S. Journal of Applied Physics, Vol. 113, Issue 8 https://doi.org/10.1063/1.4792227	journal	February 2013
From microjoules to megajoules and kilobars to gigabars: Probing matter at extreme states of deformation Remington, Bruce A.; Rudd, Robert E.; Wark, Justin S. Physics of Plasmas, Vol. 22, Issue 9 https://doi.org/10.1063/1.4930134	journal	September 2015
Influence of phase transition on shock-induced spallation in nanocrystalline iron Gunkelmann, Nina; Bringa, Eduardo M.; Urbassek, Herbert M. Journal of Applied Physics, Vol. 118, Issue 18 https://doi.org/10.1063/1.4935452	journal	November 2015
Dislocation evolution and peak spall strengths in single crystal and nanocrystalline Cu Mackenchery, Karoon; Valisetty, Ramakrishna R.; Namburu, Raju R. Journal of Applied Physics, Vol. 119, Issue 4 https://doi.org/10.1063/1.4939867	journal	January 2016
Molecular dynamics simulations of void coalescence in monocrystalline copper under loading and unloading Peng, Xiaojuan; Zhu, Wenjun; Chen, Kaiguo Journal of Applied Physics, Vol. 119, Issue 16 https://doi.org/10.1063/1.4947051	journal	April 2016
Effect of strain rate and dislocation density on the twinning behavior in tantalum Florando, Jeffrey N.; El-Dasher, Bassem S.; Chen, Changqiang AIP Advances, Vol. 6, Issue 4 https://doi.org/10.1063/1.4948528	journal	April 2016
Simulation of tantalum nanocrystals under shock-wave loading: Dislocations and twinning Tramontina, D. R.; Hahn, E. N.; Meyers, M. A. SHOCK COMPRESSION OF CONDENSED MATTER - 2015: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings https://doi.org/10.1063/1.4971590	conference	January 2017
Non-equilibrium molecular dynamics simulations of spall in single crystal tantalum Hahn, Eric N.; Germann, Timothy C.; Ravelo, Ramon J. SHOCK COMPRESSION OF CONDENSED MATTER - 2015: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings https://doi.org/10.1063/1.4971594	conference	January 2017
Spall response of single-crystal copper Turley, W. D.; Fensin, S. J.; Hixson, R. S. Journal of Applied Physics, Vol. 123, Issue 5 https://doi.org/10.1063/1.5012267	journal	February 2018
Modeling release behavior in shocked tantalum Steinberg, Daniel J. Proceedings of the conference of the American Physical Society topical group on shock compression of condensed matter, AIP Conference Proceedings https://doi.org/10.1063/1.50712	conference	January 1996
Deviations and polarity of [100] dislocations in bcc metals Schoeck, Gunther; Romaner, Lorenz Philosophical Magazine Letters, Vol. 90, Issue 6 https://doi.org/10.1080/09500831003680760	journal	June 2010
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool Stukowski, Alexander Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 1 https://doi.org/10.1088/0965-0393/18/1/015012	journal	December 2009
Effect of grain boundary structure on plastic deformation during shock compression using molecular dynamics Fensin, S. J.; Valone, S. M.; Cerreta, E. K. Modelling and Simulation in Materials Science and Engineering, Vol. 21, Issue 1 https://doi.org/10.1088/0965-0393/21/1/015011	journal	December 2012
Robust structural identification via polyhedral template matching Larsen, Peter Mahler; Schmidt, Søren; Schiøtz, Jakob Modelling and Simulation in Materials Science and Engineering, Vol. 24, Issue 5 https://doi.org/10.1088/0965-0393/24/5/055007	journal	May 2016
The behavior of tantalum under ultrashort loads induced by femtosecond laser Ashitkov, S. I.; Komarov, P. S.; Struleva, E. V. Journal of Physics: Conference Series, Vol. 653 https://doi.org/10.1088/1742-6596/653/1/012001	journal	November 2015
Shock-induced plasticity in tantalum single crystals: Interatomic potentials and large-scale molecular-dynamics simulations Ravelo, R.; Germann, T. C.; Guerrero, O. Physical Review B, Vol. 88, Issue 13 https://doi.org/10.1103/PhysRevB.88.134101	journal	October 2013
Unraveling the Anomalous Grain Size Dependence of Cavitation Wilkerson, J. W.; Ramesh, K. T. Physical Review Letters, Vol. 117, Issue 21 https://doi.org/10.1103/PhysRevLett.117.215503	journal	November 2016
Femtosecond X-Ray Diffraction Studies of the Reversal of the Microstructural Effects of Plastic Deformation during Shock Release of Tantalum Sliwa, M.; McGonegle, D.; Wehrenberg, C. Physical Review Letters, Vol. 120, Issue 26 https://doi.org/10.1103/PhysRevLett.120.265502	journal	June 2018
Orientation Dependence in Molecular Dynamics Simulations of Shocked Single Crystals Germann, Timothy C.; Holian, Brad Lee; Lomdahl, Peter S. Physical Review Letters, Vol. 84, Issue 23 https://doi.org/10.1103/PhysRevLett.84.5351	journal	June 2000
Simulations of X-ray diffraction of shock-compressed single-crystal tantalum with synchrotron undulator sources Tang, M. X.; Zhang, Y. Y.; E., J. C. Journal of Synchrotron Radiation, Vol. 25, Issue 3 https://doi.org/10.1107/S160057751800499X	journal	April 2018
Ultrahigh Strength in Nanocrystalline Materials Under Shock Loading Bringa, E. M. Science, Vol. 309, Issue 5742 https://doi.org/10.1126/science.1116723	journal	September 2005
Femtosecond Visualization of Lattice Dynamics in Shock-Compressed Matter Milathianaki, D.; Boutet, S.; Williams, G. J. Science, Vol. 342, Issue 6155 https://doi.org/10.1126/science.1239566	journal	October 2013
Resistance to dynamic deformation and fracture of tantalum with different grain and defect structures Razorenov, S. V.; Kanel’, G. I.; Garkushin, G. V. Physics of the Solid State, Vol. 54, Issue 4 https://doi.org/10.1134/S1063783412040233	journal	April 2012
Plastic Anisotropy of Tantalum, Niobium, and Molybdenum Sherwood, P. J.; Guiu, F.; Kim, H. C. Canadian Journal of Physics, Vol. 45, Issue 2 https://doi.org/10.1139/p67-079	journal	February 1967
Experimental and numerical study of the tantalum single crystal spallation Soulard, L.; Bontaz-Carion, J.; Cuq-Lelandais, J. P. The European Physical Journal B, Vol. 85, Issue 10 https://doi.org/10.1140/epjb/e2012-30269-9	journal	September 2012
Slip planes in bcc transition metals Weinberger, C. R.; Boyce, B. L.; Battaile, C. C. International Materials Reviews, Vol. 58, Issue 5 https://doi.org/10.1179/1743280412Y.0000000015	journal	June 2013

Cited By (4)

Unraveling the Role of Interfaces on the Spall Failure of Cu/Ta Multilayered Systems Chen, Jie; Mathaudhu, Suveen N.; Thadhani, Naresh Scientific Reports, Vol. 10, Issue 1 https://doi.org/10.1038/s41598-019-57048-9	journal	January 2020
Computational Analysis Methods in Atomistic Modeling of Crystals Stukowski, Alexander JOM, Vol. 66, Issue 3 https://doi.org/10.1007/s11837-013-0827-5	journal	December 2013
Influence of defects on the shock Hugoniot of tantalum Hahn, Eric N.; Fensin, Saryu J. Journal of Applied Physics, Vol. 125, Issue 21 https://doi.org/10.1063/1.5096526	journal	June 2019
Understanding and predicting damage and failure at grain boundaries in BCC Ta Chen, J.; Hahn, E. N.; Dongare, A. M. Journal of Applied Physics, Vol. 126, Issue 16 https://doi.org/10.1063/1.5111837	journal	October 2019

Similar Records

Virtual texture analysis to understand microstructure effects on deformation twinning and detwinning behavior in BCC metals

Journal Article · Thu Dec 26 19:00:00 EST 2024 · Computational Materials Science · OSTI ID:3011665

Role of α → ε → α phase transformation on the spall behavior of iron at atomic scales

Journal Article · Mon Jun 27 20:00:00 EDT 2022 · Journal of Materials Science · OSTI ID:2457130

On the ultimate tensile strength of tantalum

Journal Article · Mon Jan 09 19:00:00 EST 2017 · Acta Materialia · OSTI ID:1462274

Related Subjects

36 MATERIALS SCIENCE
tantalum
shock

Orientation dependent spall strength of tantalum single crystals

Citation Formats

References (61)

Cited By (4)

Similar Records

Related Subjects