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The Summer Undergraduate Research Fellowship (SURF) Symposium

Conference

2016

Molecular dynamics

Articles 1 - 2 of 2

Full-Text Articles in Engineering

Dislocation Engineering In Novel Nanowire Structures, Christopher Y. Chow, Samuel T. Reeve, Alejandro Strachan Aug 2016

Dislocation Engineering In Novel Nanowire Structures, Christopher Y. Chow, Samuel T. Reeve, Alejandro Strachan

The Summer Undergraduate Research Fellowship (SURF) Symposium

Leveraging defects is a cornerstone of materials science, and has become increasingly important from bulk to nanostructured materials. We use molecular dynamics simulations to explore the limits of defect engineering by harnessing individual dislocations in nanoscale metallic specimens and utilizing their intrinsic behavior for application in mechanical dampening. We study arrow-shaped, single crystal copper nanowires designed to trap and control the dynamics of dislocations under uniaxial loading. We characterize how nanowire cross-section and stacking-fault energy of the material affects the ability to trap partial or full dislocations. Cyclic loading simulations show that the periodic motion of the dislocations leads to …


Relative Contributions Of Inelastic Phonon Scattering And Elastic Phonon Scattering To Thermal Boundary Conductance Across Solid Interfaces, Mengxi Zhao, Zexi Lu, Xiulin Ruan Aug 2016

Relative Contributions Of Inelastic Phonon Scattering And Elastic Phonon Scattering To Thermal Boundary Conductance Across Solid Interfaces, Mengxi Zhao, Zexi Lu, Xiulin Ruan

The Summer Undergraduate Research Fellowship (SURF) Symposium

The knowledge of inelastic phonon scattering is crucial for the understanding of thermal boundary conductance across solid interfaces. Several traditional theoretical models such as the acoustic mismatch model (AMM) and the diffuse mismatch model (DMM) assume that the elastic phonon scattering drives the thermal transport across the interface. But there are experiments indicating that the inelastic phonon scattering plays an important part in the interfacial thermal energy conduction as well. We use nonequilibrium molecular dynamics (NEMD) to predict the inelastic phonon conductance across Cu/Si interface. Temperature distribution across Cu/Si interface has been obtained from the simulation results, and a temperature …