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Full-Text Articles in Engineering

Material Properties Design Using Simulations And Experiments For Powder Injection Molding Of Lead Zirconate Titanate (Pzt)., Bhushan Pramod Bandiwadekar Dec 2017

Material Properties Design Using Simulations And Experiments For Powder Injection Molding Of Lead Zirconate Titanate (Pzt)., Bhushan Pramod Bandiwadekar

Electronic Theses and Dissertations

Powder injection molding (PIM) process simulations can be performed to minimize the number of injection molding experiments by estimating material properties necessary for PIM simulations. In current work, lead zirconate titanate (PZT) powder-polymer binder feedstock was compounded for 45 vol. % and 52 vol. % solids loading. PIM experiments on designed micro-pillar array geometry were performed using 52 vol. % PZT. Using PIM experiments results as basis, PIM simulations were performed on designed micro-pillar array geometries to understand the effectiveness of PIM simulations with the use of estimated feedstock properties in predicting molding behavior that have micro-features. Additionally, PIM simulations …


Modeling And Simulation Of Iii-Nitride-Based Solar Cells Using Nextnano®, Malak Refaei Dec 2017

Modeling And Simulation Of Iii-Nitride-Based Solar Cells Using Nextnano®, Malak Refaei

Graduate Theses and Dissertations

Nextnano³ software is a well-known package for simulating semiconductor band-structures at the nanoscale and predicting the general electronic structure. In this work, it is further demonstrated as a viable tool for the simulation of III-nitride solar cells. In order to prove this feasibility, the generally accepted solar cell simulation package, PC1D, was chosen for comparison. To critique the results from both PC1D and Nextnano3, the fundamental drift-diffusion equations were used to calculate the performance of a simple p-n homojunction solar cell device analytically. Silicon was picked as the material for this comparison between the outputs of the two simulators as …


Computational Prediction Of Conductivities Of Disk-Shaped Particulate Composites, Jian Qiu Nov 2017

Computational Prediction Of Conductivities Of Disk-Shaped Particulate Composites, Jian Qiu

Electronic Theses and Dissertations

The effective conductivities are determined for randomly oriented disk-shaped particles using an efficient computational algorithm based on the finite element method. The pairwise intersection criteria of disks are developed using a set of vector operations. An element partition scheme has been implemented to connect the elements on different disks across the lines of intersection. The computed conductivity is expressed as a function of the density and the size of the circular disks or elliptical plates. It is further expressed in a power-law form with the key parameters determined from curve fittings. The particle number and the trial number of simulations …


Modelling Catalytic Structures With Python And Ase, Tommie L. Day, Peilin Liao, Pilsun Yoo Aug 2017

Modelling Catalytic Structures With Python And Ase, Tommie L. Day, Peilin Liao, Pilsun Yoo

The Summer Undergraduate Research Fellowship (SURF) Symposium

Voltaic cells hold great potential as a source of clean electricity generation. These fuel sources are more efficient than combustion engines, and they do not produce environmentally harmful by-products. The electrochemical reaction which occurs within the cell is typically catalyzed by platinum, which increases the cost. The search for a better performing, less expensive catalyst is hindered by the lack of a complete, predictive theory of catalysis. Using Quantum Espresso and the Atomic Simulation Environment library for Python, we created a tool for nanoHUB.org which can visually and computationally model catalytic surfaces. This tool can simulate nanoparticles and metallic surfaces …


Simulating Dynamic Failure Of Polymer-Bonded Explosives Under Periodic Excitation, Rachel Kohler, Camilo Duarte Cordon, Marisol Koslowski Aug 2017

Simulating Dynamic Failure Of Polymer-Bonded Explosives Under Periodic Excitation, Rachel Kohler, Camilo Duarte Cordon, Marisol Koslowski

The Summer Undergraduate Research Fellowship (SURF) Symposium

Accidental mishandling of explosive materials leads to thousands of injuries in the US every year. Understanding the mechanisms behind the detonation process is crucial to prevent such accidents. In polymer-bonded explosives (PBX), high-frequency mechanical excitation generates thermal energy and can lead to an increase in temperature and vapor pressure, and potentially the initiation of the detonation process. However, the mechanisms behind this energy release, such as the effects of dynamic fracture and friction, are not well understood. Experimental data is difficult to collect due to the different time scales of reactions and vibrations, so research is aided by running simulations …


Modeling And Studying The Effect Of Texture And Elastic Anisotropy Of Copper Microstructure In Nanoscale Interconnects On Reliability In Integrated Circuits, Adarsh Basavalingappa Jan 2017

Modeling And Studying The Effect Of Texture And Elastic Anisotropy Of Copper Microstructure In Nanoscale Interconnects On Reliability In Integrated Circuits, Adarsh Basavalingappa

Legacy Theses & Dissertations (2009 - 2024)

Copper interconnects are typically polycrystalline and follow a lognormal grain size distribution. Polycrystalline copper interconnect microstructures with a lognormal grain size distribution were obtained with a Voronoi tessellation approach. The interconnect structures thus obtained were used to study grain growth mechanisms, grain boundary scattering, scattering dependent resistance of interconnects, stress evolution, vacancy migration, reliability life times, impact of orientation dependent anisotropy on various mechanisms, etc. In this work, the microstructures were used to study the impact of microstructure and elastic anisotropy of copper on thermal and electromigration induced failure.