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Molecular Dynamics Of High Temperature Hydrogen Attack, Mike Travis Bodden Connor
Molecular Dynamics Of High Temperature Hydrogen Attack, Mike Travis Bodden Connor
Theses and Dissertations
High temperature hydrogen attack (HTHA) is a damage mechanism that only affects carbon steel and low alloy material. Most of the data regarding HTHA are experimental-driven. Even though this approach has been successful, there are still much more things that the oil and gas industry does not understand about HTHA. The regions that were considered safe (below the Nelson curves) have experienced catastrophic failure. Our research consists of performing Molecular Dynamics (MD) and the Nudge Elastic Band (NEB) calculation of HTHA to better understand the atomistic behavior of this damage mechanism.
Probing Site-Specific Twin Nucleation In Hexagonal Close Packed (Hcp) Materials With Nudged Elastic Band (Neb) Method, Deepesh Giri
Probing Site-Specific Twin Nucleation In Hexagonal Close Packed (Hcp) Materials With Nudged Elastic Band (Neb) Method, Deepesh Giri
Theses and Dissertations
Molecular Dynamics (MD) and Molecular Statics (MS) simulations have always proven to be powerful tools to study material behavior at the lowest length scale. However, one of the greatest challenges in material modelling is the effective upscaling of relevant material properties from atomic scale to continuum scale. One such challenge is how best to capture the role of twinning in higher scale plasticity. Capturing twin nucleation in fullield crystal plasticity is a long-standing problem in materials science. The challenge resides mainly in the biased regional lattice transformation associated with twin formation in defiance of its obedience to a threshold stress …