Materials Modeling at the Atomic Scale

(2011)

A. M. Dongare, B. LaMattina, D. L. Irving, and D. W. Brenner, Mechanical behavior of nanocrystalline metal-ceramic composites: A Computational Study, J. Eng. Mater. Technol. (submitted, in review; available upon request)
A. M. Dongare, B. LaMattina, D. L. Irving, and D. W. Brenner, An angular-dependent embedded atom method (A-EAM) interatomic potential to model thermodynamic and mechanical behavior of Al/Si composite materials, Model. Simul. Mater. Sci. (submitted, in review; available upon request).
L. V. Zhigilei, A. N. Volkov, and A. M. Dongare, Computational study of nanomaterials: From large-scale atomistic simulations to mesoscopic modeling, Encyclopedia of Nanotechnology, B. Bhushan (Ed.), Springer, Heidelberg, (in press, 2012).
A. M. Dongare, and B. LaMattina, Deformation and failure mechanisms in ceramic-reinforced metal-matrix composites at atomic scales. In: Advances in Nanocomposite Technology, edited by: Dr. Abbass Hashim, InTech Publications, Vienna, Austria, 227-246 (2011).
A. M. Dongare, A. M. Rajendran, B. LaMattina, M. A. Zikry, and D. W. Brenner, Dynamic failure micromechanisms in nanocrystalline Cu, CMC: Computers, Modeling, & Continua 24, 43-60 (2011)
A. M. Dongare, B. LaMattina, A. M. Rajendran, Atomic scale studies of spall behavior in single crystal Cu, Procedia Engineering, Procedia Engineering 10, 3636-3641 (2011).

(2010)

A. M. Dongare, B. LaMattina, A. M. Rajendran, M. A. Zikry, and D. W. Brenner, Atomic scale studies of spall behavior in nanocrystalline copper, J. Appl. Phys. 108, 113518 (2010).
A. M. Dongare, A. M. Rajendran, B. LaMattina, M. A. Zikry, and D. W. Brenner, Tension-compression asymmetry in nanocrystalline Cu at high strain rates, Comp. Mat. Sci. 49, 260-265 (2010).
A. M. Dongare, A. M. Rajendran, B. LaMattina, M. A. Zikry, and D. W. Brenner, Atomic scale study of plastic-yield criterion in nanocrystalline metals using molecular dynamics simulations, Metall. Mater. Trans. A 41A, 513-531 (2010).

(2009)

A. M. Dongare, A. M. Rajendran, B. LaMattina, M. A. Zikry, and D. W. Brenner, Atomistic studies of void-growth based yield criteria in single crystal copper at high strain rates, Shock Compression of Condensed Matter - 2009, AIP Conference Proceedings 1195, 769-772 (2009).
A. M. Dongare, M. Neurock and L. V. Zhigilei, A new Angular-dependent Embedded Atom Method potential for atomistic simulations of metal-covalent systems, Phys. Rev. B 80, 184106 (2009).
A. M. Dongare, A. M. Rajendran, B. LaMattina, M. A. Zikry, and D. W. Brenner, Atomic scale simulations of the micro-mechanisms related to nucleation, growth, and coalescence of voids in nanocrystalline Cu at ultra-high strain rates, Phys. Rev. B 80, 104108 (2009).
A. M. Dongare, L. V. Zhigilei, A. M. Rajendran, and B. LaMattina, Atomic scale modeling of multi-component interactions in nanocomposites, Compos. Part B - Eng. 40, 461-469 (2009).
A. M. Rajendran and A. M. Dongare, Atomistic scale simulations of spallation in nanocrystalline Cu, Proceedings of International Conference on Computational Methods in Engineering and Sciences (IC-CMES'09), Editors: P.R. Reddy, M.V.S. Muralikrishna, and N.V. Srinivasalu, 18-25 (2009).

(2008)

A. M. Dongare, A. M. Rajendran, B. LaMattina, M. A. Zikry, D. W. Brenner, Atomic scale simulations of orientation of loading axis on the growth of voids at the onset of ductile failure in single crystal Cu, Mat. Res. Soc. Sym. Proc., 1137, EE08-09-W10-09.R1 (2008).

(2007)

M. Büttner, P. Oelhafen, Hsiang-Jen Wang, A. M. Dongare, B. S. Mun, and P. Reinke, Photoemission study of ternary to pentenary metallic glasses, J. App. Phys. 102, 033501 (2007).

(2005)

A. M. Dongare and L. V. Zhigilei, A new Embedded Atom Method potential for atomic-scale modeling of metal-silicon systems, Proc. Int. Conf. Comp. and Exp. Eng. Sci., 2522-2527 (2005).
A. M. Dongare, D. D. Hass, and L. V. Zhigilei, Computational investigation of the effect of cluster impact energy on the microstructure of films grown by cluster deposition. In: Clusters and Nano-Assemblies: Physical and Biological Systems; edited by P. Jena, S. N. Khanna, and B. K. Rao (World Scientific, Singapore), 329-339 (2005).

(2002)

L. V. Zhigilei and A. M. Dongare, Multiscale modeling of laser ablation: applications to nanotechnology, CMES: Computer Modeling in Engineering and Sciences 3, 539-555 (2002).
A. M. Dongare and L. V. Zhigilei, Atomistic simulation study of misfit strain relaxation mechanisms in heteroepitaxial islands, at. res. Soc. Sym. Proc. 749, W10.12.1 (2002).
M. K Dongare, A. M. Dongare, V. B. Tare, E. Kemnitz, Synthesis and characterization of copper stabilized zirconia as an anode material for SOFC, Solid State Ionics 152-153, 455-462 (2005).