Journal Papers

Monk J, Farkas Diana Strain-induced grain growth and rotation in nickel nanowires PHYSICAL REVIEW B 75 (4): Art. No. 045414 JAN 2007

Jang H, Farkas Diana Interaction of lattice dislocations with a grain boundary during nanoindentation simulation MATERIALS LETTERS 61 (3): 868-871 FEB 2007

Douglas A. Crowson, Diana Farkas and Sean G. Corcoran Geometric relaxation of nanoporous metals: The role of surface relaxation Scripta Materialia ,  Volume 56, Issue 11 ,  June 2007 ,  Pages 919-922

Diana Farkas, Som Mohanty, and Joshua Monk Linear Grain Growth Kinetics and Rotation in Nanocrystalline Ni Phys. Rev. Lett. 98, 165502 (2007)

Diana Farkas, Joshua Monk    Tension-compression asymmetry and size effects in nanocrystalline Ni nanowires    Philosophical Magazine May, 2007

Reynolds WT, Farkas D Edge-to-edge interfaces in Ti-Al modeled with the embedded atom method METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE 37A (3A): 865-871 MAR 2006

Chan KS, Farkas D Symposium on computational aspects of mechanical properties of materials - Foreword METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE 37A (3): 521-521 MAR 2006

Caro A, Caro M, Lopasso EM, et al. Thermodynamics of Fe-Cu alloys as described by a classic potential JOURNAL OF NUCLEAR MATERIALS 349 (3): 317-326 MAR 1 2006

Farkas D, Hyde B Improving the ductility of nanocrystalline bcc metals NANO LETTERS 5 (12): 2403-2407 DEC 2005

Farkas D, Curtin WA Plastic deformation mechanisms in nanocrystalline columnar grain structures MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING 412 (1-2): 316-322 Sp. Iss. SI DEC 5 2005

Hyde B, Farkas D Atomistic sliding mechanisms of the Sigma=5 symmetric tilt grain boundary in bcc iron PHILOSOPHICAL MAGAZINE 85 (32): 3795-3807 NOV 11 2005 Times Cited: 0

Hyde B, Espinosa HD, Farkas D An atomistic investigation of elastic and plastic properties of Au nanowires JOM 57 (9): 62-66 SEP 2005

Farkas D, Nogueira R, Ruda M, et al. Atomistic simulations of the effects of segregated elements on grain-boundary fracture in body-centered-cubic Fe METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE 36A (8): 2067-2072 AUG 2005

Farkas D, Van Petegem S, Derlet PM, et al. Dislocation activity and nano-void formation near crack tips in nanocrystalline Ni ACTA MATERIALIA 53 (11): 3115-3123 JUN 2005

D. Farkas, "Twinning and Recrystallization as Crack Tip Deformation Mechanisms During Fracture," Philos. Mag. 85 [2-3] 387-397, SI January 11, 2005.

D. Farkas, M. Willemann, and B. Hyde, "Atomistic Mechanisms of Fatigue in Nanocrystalline Metals," Physical Review Letters, 94, 165502, April 26, 2005.

D. Farkas, S. Van Petegem, P.M. Derlet, and H. Van Swygenhoven, "Dislocation Activity and Nano-void Formation Near Crack Tips in Nanocrystalline Ni," Acta Materialia, online May 11, 2005.

S.J. Noronha and D. Farkas, "Effect of Dislocation Blocking on Fracture Behavior of Al and Alpha-Fe: A Multiscale Study, Mat. Sci. Eng. A – Struct., 365 [1-2] 156-165, January 25, 2004.

A. Latapie and D. Farkas, "Molecular Dynamics Investigation of the Fracture Behavior of Nanocrystalline Alpha–Fe," A. Phys. Rev. B, 69, 134110 (2004).

B.J. Soulé De Bas and D. Farkas, "Atomistic Simulation of Grain Boundary Diffusion Mechanisms in B2NiAl, Intermetallics, 12 [7-9] 937-943, SI July-Sept. 2004.

A. Latapie, D. Farkas, "Molecular Dynamics Simulations of Stress-Induced Phase Transformations and Grain Nucleation at Crack Tips in Fe, Model Simul. Mater. SC, 11 [5] 745-753, September 2003.

D. Farkas, B.S. de Bas, "Direct Molecular Dynamics Observations of Bulk and Grain Boundary Diffusion in NiAl, Defect Diffus. Forum, 213-2 [83-93] 2003.

D. Farkas, "Direct Molecular Dynamics Observations of Bulk and Grain Boundary Diffusion in NiAl," Diffusion and Defect Forum 213-215, 83-95 (2003).

A. Latapie and D. Farkas, "Effect of Grain Size on the Elastic Properties of Nanocrystalline Alpha-Iron," Scripta Materialia, 48 [5] 611-615 (2003).

B. Soulé De Bas and D. Farkas, "Molecular Dynamics Simulations of Diffusion Mechanisms in NiAl," Acta Materialia, 51 [5] 1437-1446 (2003).

M. Ruda, D. Farkas, and J. Abriata, "Interatomic Potentials for Carbon Interstitials in Metals and Intermetallics," Scripta Materialia, 46, 349-355 (2002).

D. Farkas. H. Van Swygenhoven and P. M. Derlet, "Intergranular Fracture in Nanocrystalline Metals," Phys. Rev. B, 66, 101-104 (2002).

A. Ramasubramaniam, W. A. Curtin, and D. Farkas, "Fracture in Nano-lamellar Materials: Continuum and Atomistic Models with Application to Titanium Aluminides," Phil. Mag. A, 82 [12] 2397-2417 (2002).

S. Noronha and D. Farkas "Dislocation Pinning Effects on Fracture Behavior: Atomistic and Dislocation Dynamics Simulations," Physical Review B, 66 (2002).

M. Ruda, D. Farkas, and J. Abriata, "Interatomic Potentials for Carbon Interstitials in Metals and Intermetallics," Scripta Materialia, 46 [5] 349-355 (2002).

Conference Proceedings

“Surface Effects on the elastic behavior of nanoporous metals” D. Crowson, D. Farkas and S. G. Corcoran MATER RES SOC SYMP O. Fall 2005

H. Jang and D. Farkas, "Atomistic Simulation of Dislocation Interaction with S=5 (210) Grain Boundary During Nanoindentation of Ni," MRS Spring Meeting, Paper P8.17, 203-208, San Francisco, California, 2004.

R.D. Kriz, D. Farkas, A.A. Ray, J.T. Kelso, and R.E. Flanery, Jr., "Visual Interpretation and Analysis of HPC Nanostructure Models Using Shared Virtual Environments," Proceedings, High Performance Computing: Grand Challenges in Computer Simulations 2003, The Society for Modeling and Simulation International (SCS), San Diego, California, 127-135, 2003.

B . Soule De Bas and D. Farkas, "Atomistic Aspects of Grain Boundary Fracture in Science and Technology of Interfaces," International Symposium in Honor of Dr. Bhakta Rath, pp. 375-385, 2002.

Invited Presentations and Papers

Invited talk, TMS Annual Meeting San Antonio 2005, “Defects in Metals”

Invited talk, TMS Annual Meeting San Antonio 2005, “ Mechanical properties: from nano to macro”

Invited talk, International Conference on “ MICROMECHANICS AND MICROSTRUCTURE EVOLUTION: MODELING, SIMULATION AND EXPERIMENTS” Madrid , Spain Sept 2005.

Invited Talk, “ Jornadas de Física ” Bariloche, Argentina , Dec 2005.

Invited Talk, Ames Research Lab. Ames . Iowa April 2006

W. T. Reynolds and D. Farkas, "EAM Modeling of Edge to Edge Interfaces," TMS Annual Meeting, Charlotte, N.C., 2004. Given by Prof. Reynolds.

D. Farkas, "Atomistic Modeling of Fracture and Deformation Processes," Invited Seminar, Dept. of Materials Science, North Carolina State University, April 2004.

D. Farkas "Atomistic Modeling of Fracture and Deformation Processes," Invited Seminar, Dept. of Engineering Science and Mechanics, April 2004.

D. Farkas, “Mechanical Behavior of Metallic Materials at the Atomistic and Nano-scales” invited talk, Brazilian workshop on amorphous materials, Sao Paulo, Brazil, July 2004.

D. Farkas, “Large Scale Simulations of Deformation and Fracture Behavior in Nanocrystalline Ni,” Invited presentation, 2004 MRS fall meeting, Boston, Mass., November 2004.

R.D. Kriz, D. Farkas, A.A. Ray, and J.T. Kelso, "Visualization of Structure-Property Relationships: Spanning the Length Scales from Nano to Macro," Invited Paper, International Conference on Computational and Experimental Engineering Science, Corfu, Greece, July 25-29, 2003. Given by Prof. Kriz

D. Farkas, "Modeling Deformation and Fracture Processes at the Atomistic and Nano Scales," Invited Paper, International Conference on Computational and Experimental Engineering Science, Corfu, Greece, July 25-29, 2003.

D. Farkas, " Atomistic Simulations of Fracture," Second M.I.T. Conference on Computational Fluid and Solid Mechanics, Massachusetts Institute of Technology, Cambridge, June 17-20, 2003.

D. Farkas and R.N. Nogueira, "Atomistic Aspects of Grain Boundary Fracture in Science and Technology of Interfaces," International Symposium in Honor of Dr. Bhakta Rath, 375-385 (2002).

D. Farkas, "Atomistic Aspects of Grain Boundary Fracture," TMS Annual Meeting, Seattle, Wash. (2002).

D. Farkas, "Effects of Impurities on Grain Boundary Fracture," TMS Annual Meetings, Seattle, Wash. (2002).

D. Farkas, "Fracture of Layered TiAl Composites," TMS Annual Meetings, Seattle, Wash. (2002).

D. Farkas, "Simulation of Diffusion on NiAl," TMS Annual Meeting, Seattle, Wash. (2002).

Submitted Presentations

“Deformation Behavior of polycrystalline Ni nanowires” Symposium Z, MRS Fall meeting, November 2005, Boston , MA , Joshua Monk and Diana Farkas

“Deformation mechanisms of nanocrystalline materials under cyclic loading” Symposium AA, MRS Fall meeting, November 2005, Boston , MA , Diana Farkas

“Microstructural evolution of nanocrystalline Ni at high temperature” Symposium AA, MRS Fall meeting, November 2005, Boston, MA, Diana Farkas and S. Mohanty .

“Modeling deformation and fracture phenimen ain 3 dimensions” TMS Annual meeting, San Antonio , TX March 2006, Diana Farkas

“ Building empirical interatomic potentials to describe C interstitials in Fe” TMS Annual meeting, San Antonio , TX March 2006, M. Ruda and Diana Farkas

“Using Molecular dynamics techniques for simulation of grain boundary diffusion and mobility.” TMS Annual meeting, San Antonio , TX March 2006, Diana Farkas

“The role of partial grain boundary dislocations in grain boundary sliding” TMS Annual meeting, San Antonio , TX March 2006, Diana Farkas

“Simulations of deformation and fracture behavior in nanocrystaline Ni” TMS Annual meeting, San Antonio , TX March 2006, Diana Farkas

“Ductile to brittle transition in dilute Fe alloys” TMS Annual meeting, San Antonio , TX March 2006, N. Thirumalai , P. Gordon, M. Luton and Diana Farkas

D. Farkas and W.A. Curtin, “Plastic Deformation Mechanisms in Nanocrystalline Columnar Grain Structures,” presented at the international conference Dislocations 2004, France, September 2004.

D. Farkas and H. Jang, “Simulation Studies of the Role of Grain Boundaries During the Nano-indentation of Ni,” submitted presentation, 2004 MRS fall meeting, Boston, Mass., November 2004.

B. Hyde, A. Latapie, and D. Farkas, “Impurity Effects on the Fracture of Nanocrystalline Fe Using Atomistic Simulations,” submitted presentation, 2004 MRS fall meeting, Boston, Mass., November 2004.

W.T. Reynolds and D. Farkas, “EAM Modeling of Ti/Ti3Al Interfaces,” 2004 MRS fall meeting, Boston, Mass., November 2004.

D. Farkas and H. Van Swygenhoven, “Plasticity Near Crack Tips in Nanocrystalline Ni,” submitted presentation, international conference on Plasticity 2005, Kauai, Hawaii, January 2005.

D. Farkas, B. Hyde, and M. Ruda, “Impurity Effects on Grain Boundary Fracture at the Atomic Scale,” submitted presentation, TMS 2005 annual meeting, San Francisco, California, February 2005.

N. Thirumalai, M.J. Luton, P. Gordon, and D. Farkas, “Influence of Ni Additions on the Deformation Mechanisms at Crack Tips in Ferrite,” poster presentation, Spring MRS meeting, San Francisco, California, April 2005.

H. Jang and D. Farkas, "Atomistic Simulation of Dislocation Interaction with S=5 (210) Grain Boundary During Nanoindentation of Ni," MRS Spring Meeting, Paper P8.17, San Francisco, 2004.

B. Hyde and D. Farkas, "Dislocation Mechanisms in Grain Boundary Sliding," TMS Annual Meeting, Charlotte, N.C., 2004.

D. Farkas, B. Hyde, and A. Latapie, "Impurity Effects on the Fracture of Nanocrystalline Fe," TMS Annual Meeting, Charlotte, N.C., 2004.

M. Ruda and D. Farkas, "Atomic Modeling of the Effects of C and H Impurities on Grain Boundary Fracture," TMS Annual Meeting, Charlotte, N.C., 2004.

M.-J. Caturla, B. Hyde, D. Farkas, T.G. Nieh, "Grain Boundary Mechanisms of Deformation in Bi-Crystals and Nanocrystalline Materials Using Molecular Dynamics," Superplasticity in Advanced Materials - ICSAM 2003, Oxford, UK, July 2003.

D. Farkas, H. Van Swygenhoven and P. Derlet, "Fracture Mechanisms of Nanocrystalline Ni," MRS Fall Meeting, Boston, Paper Q7.1, 2003.

B. Hyde, D. Farkas and M. Caturla, "Atomistic Sliding Mechanisms of the S=5 Symmetric Tilt Grain Boundary," MRS Fall Meeting, Boston, Paper Q7.4, 2003.

B. Hyde, A. Latapie and D. Farkas, "Impurity Effects on the Fracture of Nanocrystalline Fe," MRS Fall Meeting, Boston, Paper KK9.6, 2003.

D. Crowson, D. Farkas and S. Corcoran, "Surface Stress Relaxation of Nanoporous Films," MRS Fall Meeting, Boston, Paper U11.6, 2003.

D. Farkas and R. Kriz, "Incorporating Computational Materials Research into the Graduate Curriculum," TMS Annual Meeting, San Diego, February 2003.

D. Farkas, "Deformation Twinning at Crack Tips," TMS Annual Meeting, San Diego, February 2003.

D. Farkas and A. Latapie, "Grain Size Effects in Fracture Behavior," TMS Annual Meeting, San Diego, February 2003.

D. Farkas and A. Latapie, "Fracture of Nanocrystalline Fe," TMS Annual Meeting, San Diego, February 2003.

D. Farkas and B. Soule de Bas, "Diffusion Mechanisms Along Grain Boundaries in NiAl" TMS Annual Meeting, San Diego, February 2003.

S.J. Noronha and D. Farkas, "Effect of Dislocation Blocking on Fracture Behavior of Al and Fe: A Multiscale Study," Multiscale Modeling of Materials, London, June 2002.

Books/Chapters/Editorships

“ATOMIC LEVEL MODELING OF DEFORMATION AND FRACTURE IN METALLIC MATERIALS” D. Farkas and J. Rickman . Book chapter to appear in “Applied Computational Materials Modeling: Theory, Simulation and Experiment,” Edited by G. Bozzolo, R.D. Noebe, and P. Abel. Kluwer Academic Publishers, 2006 Co- Editor, Proceedings of the symposium on computational aspects of mechanical properties of materials, published in METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE 37A March 2006.

D. Farkas, chapter in Handbook of Materials Modeling, S. Yip, ed., 2 vols., 2005, ISBN 1-4020-3287-0.

D. Farkas, ed., Proceedings, MRS Symposium, "Structure and Mechanical Properties of Nanophase Materials," Vol. 634, 2001.

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