@article{dongare_lamattina_irving_rajendran_zikry_brenner_2012, title={An angular-dependent embedded atom method (A-EAM) interatomic potential to model thermodynamic and mechanical behavior of Al/Si composite materials}, volume={20}, number={3}, journal={Modelling and Simulation in Materials Science and Engineering}, author={Dongare, A. M. and LaMattina, B. and Irving, D. L. and Rajendran, A. M. and Zikry, M. A. and Brenner, D. W.}, year={2012} }
 @article{dongare_lamattina_rajendran_2012, title={Strengthening behavior and tension-compression strength-asymmetry in nanocrystalline metal-ceramic composites}, volume={134}, number={4}, journal={Journal of Engineering Materials and Technology}, author={Dongare, A. M. and LaMattina, B. and Rajendran, A. M.}, year={2012} }
 @inproceedings{dongare_lamattina_rajendran_2011, title={Atomic scale studies of spall behavior in single crystal Cu}, volume={10}, booktitle={11th international conference on the mechanical behavior of materials (icm11)}, author={Dongare, A. M. and LaMattina, B. and Rajendran, A. M.}, year={2011}, pages={3636–3641} }
 @article{dongare_rajendran_lamattina_zikry_brenner_2011, title={Dynamic failure behavior of nanocrystalline Cu at atomic scales}, volume={24}, number={1}, journal={Computers Materials & Continua}, author={Dongare, A. M. and Rajendran, A. M. and LaMattina, B. and Zikry, M. A. and Brenner, D. W.}, year={2011}, pages={43–60} }
 @article{dongare_rajendran_lamattina_zikry_brenner_2010, title={Atomic scale studies of spall behavior in nanocrystalline Cu}, volume={108}, number={11}, journal={Journal of Applied Physics}, author={Dongare, A. M. and Rajendran, A. M. and LaMattina, B. and Zikry, M. A. and Brenner, D. W.}, year={2010} }
 @article{dongare_rajendran_lamattina_zikry_brenner_2010, title={Tension–compression asymmetry in nanocrystalline Cu: High strain rate vs. quasi-static deformation}, volume={49}, ISSN={0927-0256}, url={http://dx.doi.org/10.1016/j.commatsci.2010.05.004}, DOI={10.1016/j.commatsci.2010.05.004}, abstractNote={Large-scale molecular dynamics (MD) simulations are used to understand the yield behavior of nanocrystalline Ni and Cu with grain sizes ⩽10 nm at high strain rates. The calculated flow stress values at a strain rate of 109 s−1 suggest an asymmetry in the strength values in tension and compression with the nanocrystalline metal being stronger in compression than in tension. This tension–compression strength asymmetry is observed to decrease with a decrease in grain size of the nanocrystalline metal up to a grain size of 4 nm, after which, a further decrease in grain size results in an increase in the strength asymmetry. The effect of strain rate on the yield behavior of nanocrystalline metals as obtained from MD simulations is discussed and compared with that reported in the literature obtained by molecular statics simulations for quasi-static loading conditions.}, number={2}, journal={Computational Materials Science}, publisher={Elsevier BV}, author={Dongare, Avinash M. and Rajendran, Arunachalam M. and LaMattina, Bruce and Zikry, Mohammed A. and Brenner, Donald W.}, year={2010}, month={Aug}, pages={260–265} }
 @article{dongare_rajendran_lamattina_zikry_brenner_2009, title={Atomic scale simulations of ductile failure micromechanisms in nanocrystalline Cu at high strain rates}, volume={80}, ISSN={["1098-0121"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-70349914381&partnerID=MN8TOARS}, DOI={10.1103/physrevb.80.104108}, abstractNote={The micromechanisms related to ductile failure during dynamic loading of nanocrystalline Cu are investigated in a series of large-scale molecular-dynamics MD simulations. Void nucleation, growth, and coalescence are studied for a nanocrystalline Cu system with an average grain size of 6 nm under conditions of uniaxial tensile strain and triaxial tensile strain at a strain rate of 10 8 s �1 . The MD simulations of deformation of the nanocrystalline system under conditions of triaxial tensile stress show random nucleation of voids at grain boundaries and/or triple point junctions. The initial shape of the voids is nonspherical due to growth of the voids along the grain boundaries. Void growth is observed to occur by the creation of a shell of disordered atoms around the voids and not by nucleation of dislocations from the void surface. Void coalescence occurs by the shearing of the disordered regions in between the voids. The nucleation and growth of voids result in the relaxation of tensile stresses, after which growth of the voids is slower. The slower growth is accompanied by recrystallization of the surrounding disordered regions resulting in near-spherical shapes of the voids.}, number={10}, journal={PHYSICAL REVIEW B}, author={Dongare, Avinash M. and Rajendran, Arunachalam M. and LaMattina, Bruce and Zikry, Mohammed A. and Brenner, Donald W.}, year={2009}, month={Sep} }
 @article{dongare_rajendran_lamattina_brenner_zikry_2010, title={Atomic-Scale Study of Plastic-Yield Criterion in Nanocrystalline Cu at High Strain Rates}, volume={41A}, ISSN={["1073-5623"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-77949270731&partnerID=MN8TOARS}, DOI={10.1007/s11661-009-0113-x}, number={2}, journal={METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE}, author={Dongare, A. M. and Rajendran, A. M. and Lamattina, B. and Brenner, D. W. and Zikry, M. A.}, year={2010}, month={Feb}, pages={523–531} }
 @article{dongare_rajendran_lamattina_zikry_brenner_2009, title={Atomistic studies of void-growth based yield criteria in single crystal Cu at high strain rates}, volume={1195}, journal={Shock compression of condensed matter - 2009, pts 1 and 2}, author={Dongare, A. M. and Rajendran, A. M. and LaMattina, B. and Zikry, M. A. and Brenner, D. W.}, year={2009}, pages={769–772} }
 @article{dongare_zhigilei_rajendran_lamattina_2009, title={Interatomic potentials for atomic scale modeling of metal-matrix ceramic particle reinforced nanocomposites}, volume={40}, ISSN={["1879-1069"]}, DOI={10.1016/j.compositesb.2009.02.001}, abstractNote={Functionally graded particle reinforced metal–matrix nanocomposite materials show significant promise for use in protective structures due to their high strengths, stiffness, failure resistance, and the ability to mitigate damage during ballistic impact. Further improvement of the performance of these materials requires fine-tuning of the nanostructure which, in turn, necessitates a clear fundamental understanding of the deformation and failure mechanisms under conditions of dynamic loading. While the molecular dynamics simulation technique is an excellent tool for investigation of the mechanisms of plastic deformation and failure of the particle reinforced metal–matrix nanocomposites at the atomic scale, the predictive power of the technique relies on an accurate description of the interatomic interactions. This paper provides a brief review of a recently developed class of interatomic potentials capable of the computationally efficient description of multi-component systems composed of metals, Si, Ge, and C. The potentials are based on reformulation of the Embedded Atom Method (EAM) potential for metals and two empirical potentials commonly used for covalently bonded materials, Stillinger–Weber (SW) and Tersoff, in a compatible functional form. The description of the angular dependence of interatomic interactions in the covalent materials is incorporated into the framework of the EAM potential and, therefore, the new class of potentials is dubbed Angular-dependent EAM (A-EAM) potentials. The A-EAM potentials retain all the properties of the pure components as predicted by the original SW, Tersoff, and EAM potentials, thus eliminating the need for extensive testing and limiting the scope of the potential parameterization to only the cross-interaction between the components. The performance of the A-EAM potentials is illustrated for the Au–Si system, with good agreement with experimental data obtained for the enthalpy of mixing in the Au–Si liquid alloy and the Au–Si phase diagram. The A-EAM potentials are suitable for large-scale atomistic simulations of metal–Si/Ge/C/SiC systems, such as the ones required for investigation of the dynamic response of nanocomposite materials to a ballistic/blast impact.}, number={6}, journal={COMPOSITES PART B-ENGINEERING}, author={Dongare, A. M. and Zhigilei, L. V. and Rajendran, A. M. and LaMattina, B.}, year={2009}, month={Sep}, pages={461–467} }