Science

3D Image-Based Finite Element Modeling

Preview of the graphics window for OOF3D

We are currently exploring methods for creating finite element meshes directly from 3D micrographs of multiphase materials. We modify a uniform, space filling mesh of tetrahedra to approximately match the boundaries between voxel categories in a segmented 3D image.

“Modelling Microstructures with OOF2″, Andrew C.E. Reid, Rhonald C. Lua, R. Edwin García, Valerie R. Coffman and Stephen A. Langer, International Journal of Materials and Product Technology 35, p 361-373 (2009) pdf.

“Image-based Finite Element Mesh Construction for Material Microstructures”, Andrew C.E. Reid, Stephen A. Langer, Rhonald C. Lua, Valerie R. Coffman, Seung-Ill Haan and R. Edwin García, Computational Materials Science 43, p 989-999 (2008) pdf.

Multiscale Modeling of Grain Boundary Fracture

Plot of   grain boundary geometries that fit inside periodic BC's

“Challenges in Continuum Modeling of Intergranular Fracture”, Valerie R. Coffman, James P. Sethna, Jeff Bozek, Anthony Ingraffea, Nicholas P. Bailey and Erin I. Barker, Accepted (2010).

“A comparison of finite element and atomistic modelling of fracture”, Valerie R. Coffman, James P. Sethna, Gerd Heber, Mu Liu, Anthony Ingraffea, Nicholas P. Bailey and Erin I. Barker, Modelling Simul. Mater. Sci. Eng. 16, 065008 (2008) pdf, arXiv:0803.1003.

“Grain boundary energies and cohesive strength as a function of geometry”, Valerie R. Coffman and James P. Sethna, Phys. Rev. B 77, 144111 (2008) pdf, arXiv:0707.1060.

Thesis: “Macroscopic Effects of Atomic Scale Defects in Crystals: Grain Boundary Fracture and Brittle-Ductile Transitions” with James P. Sethna at Cornell University (2007).

“Digital Material: a flexible atomistic simulation code”, Nicholas Bailey, Thierry Cretegny, James P. Sethna, Valerie R. Coffman, Andrew J. Dolgert, Christopher R. Myers, Jakob Schiotz, Jens Jorgen Mortensen, arXiv:cond-mat/0601236.

Plasticity

“Scaling in Plasticity-Induced Cell-Boundary Microstructure: Fragmentation and Rotational Diffusion”, James P. Sethna, Valerie R. Coffman, and Eugene Demler, Phys. Rev. B 67, 184107 (2003) pdf, arXiv:cond-mat/0104552.

Quantum Information Theory

“Distributed Entanglement”, Valerie R. Coffman, Joydip Kundu, and William K. Wootters, Phys. Rev. A 61, 052306 (2000) pdf, arXiv:quant-ph/9907047.