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Articles 1 - 4 of 4
Full-Text Articles in Mechanical Engineering
Predictive Computational Materials Modeling With Machine Learning: Creating The Next Generation Of Atomistic Potential Using Neural Networks, Mashroor Shafat Nitol
Predictive Computational Materials Modeling With Machine Learning: Creating The Next Generation Of Atomistic Potential Using Neural Networks, Mashroor Shafat Nitol
Theses and Dissertations
Machine learning techniques using artificial neural networks (ANNs) have proven to be effective tools to rapidly mimic first principles calculations. These tools are capable of sub meV/atom accuracy while operating with linear scaling with respect to the system size. Here novel interatomic potentials are constructed based on the rapid artificial neural network (RANN) formalism. This approach generates precise force fields for various metals that have historically been difficult to describe at the atomic scale. These force fields can be utilized in molecular dynamics simulations to provide new physical insights. The RANN formalism, which is incorporated into a LAMMPS molecular dynamics …
Molecular Dynamics Study Of Atomic Diffusion In Cantor High Entropy Alloy In The Selective Laser Melting Process, Mathew Z. Farias
Molecular Dynamics Study Of Atomic Diffusion In Cantor High Entropy Alloy In The Selective Laser Melting Process, Mathew Z. Farias
Theses and Dissertations
High entropy alloys (HEAs) are compositionally complex alloys that are comprised of 5 or more principle elements at near equimolar concentrations. The Selective Laser Melting (SLM) method generally melts pure elemental powders or prefabricated alloy powders, this process allows for the production of heterogeneous structures that would be difficult to create through more conventional means. In-situ alloying in SLM, or Laser Additive Alloying (LAA), using pure elemental powders is a promising means of producing what would otherwise be costly and difficult to fabricate products with less defects using prefabricated powders, therefore this new approach could enable the ability to …
Equations Of State For Warm Dense Carbon From Quantum Espresso, Derek J. Schauss
Equations Of State For Warm Dense Carbon From Quantum Espresso, Derek J. Schauss
Theses and Dissertations
Warm dense plasma is the matter that exists, roughly, in the range of 10,000 to 10,000,000 Kelvin and has solid-like densities, typically between 0.1 and 10 grams per centimeter. Warm dense fluids like hydrogen, helium, and carbon are believed to make up the interiors of many planets, white dwarfs, and other stars in our universe. The existence of warm dense matter (WDM) on Earth, however, is very rare, as it can only be created with high-energy sources like a nuclear explosion. In such an event, theoretical and computational models that accurately predict the response of certain materials are thus very …
Non-Equilibrium Behavior Of Large-Scale Axial Vortex Cores, Robert L. Ash, Irfan R. Zardadkhan
Non-Equilibrium Behavior Of Large-Scale Axial Vortex Cores, Robert L. Ash, Irfan R. Zardadkhan
Mechanical & Aerospace Engineering Faculty Publications
A logical basis for incorporating pressure non-equilibrium and turbulent eddy viscosity in an incompressible vortex model is presented. The infrasonic acoustic source implied in our earlier work has been examined. Finally, this non-equilibrium turbulent vortex core is shown to dissipate mechanical energy more slowly than a Burgers vortex, helping us to explain the persistence of axial vortices in nature. Recent molecular dynamics simulations replicate aspects of this non-equilibrium pressure behavior.