Matching Items (4)
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- All Subjects: Additive Manufacturing
- All Subjects: Density Functional Theory
- Creators: Adams, James
Description
This thesis focuses on the theoretical work done to determine thermodynamic properties of a chalcopyrite thin-film material for use as a photovoltaic material in a tandem device. The material of main focus here is ZnGeAs2, which was chosen for the relative abundance of constituents, favorable photovoltaic properties, and good lattice matching with ZnSnP2, the other component in this tandem device. This work is divided into two main chapters, which will cover: calculations and method to determine the formation energy and abundance of native point defects, and a model to calculate the vapor pressure over a ternary material from first-principles. The purpose of this work is to guide experimental work being done in tandem to synthesize ZnGeAs2 in thin-film form with high enough quality such that it can be used as a photovoltaic. Since properties of photovoltaic depend greatly on defect concentrations and film quality, a theoretical understanding of how laboratory conditions affect these properties is very valuable. The work done here is from first-principles and utilizes density functional theory using the local density approximation. Results from the native point defect study show that the zinc vacancy (VZn) and the germanium antisite (GeZn) are the more prominent defects; which most likely produce non-stoichiometric films. The vapor pressure model for a ternary system is validated using known vapor pressure for monatomic and binary test systems. With a valid ternary system vapor pressure model, results show there is a kinetic barrier to decomposition for ZnGeAs2.
ContributorsTucker, Jon R (Author) / Van Schilfgaarde, Mark (Thesis advisor) / Newman, Nathan (Committee member) / Adams, James (Committee member) / Arizona State University (Publisher)
Created2011
Description
In 2022, integrated circuit interconnects will approach 10 nm and the diffusion barrier layers needed to ensure long lasting devices will be at 1 nm. This dimension means the interconnect will be dominated by the interface and it has been shown the interface is currently eroding device performance. The standard interconnect system has three layers - a Copper metal core, a Tantalum Adhesion layer and a Tantalum Nitride Diffusion Barrier Layer. An alternate interconnect schema is a Tantalum Nitride barrier layer and Silver as a metal. The adhesion layer is removed from the system along with changing to an alternate, low resistivity metal. First principles are used to assess the interface of the Silver and Tantalum Nitride. Several stoichiometric 1:1 Tantalum Nitride polymorphs are assessed and it is found that the Fe2P crystal structure is actually the most stable crystal structure which is at odds with the published phase diagram for ambient crystal structure. The surface stability of Fe2P-TaN is assessed and the absorption enthalpy of Silver adatoms is calculated. Finally, the thermodynamic stability of the TaN-Ag interconnect system is assessed.
ContributorsGrumski, Michael (Author) / Adams, James (Thesis advisor) / Krause, Stephen (Committee member) / Alford, Terry (Committee member) / Arizona State University (Publisher)
Created2012
Description
The purpose of this honors project is to analyze the difference between different powder separation techniques, and their suitability for my capstone project – ‘Effect of Powder Reuse on DMLS (Direct Metal Laser Sintering) Product Integrity’. Due to the nature of my capstone project, my group needs to characterize foreign contaminants in IN 718 (Ni-based superalloy) powder with a mean diameter around 40um. In order to clearly analyze the contaminants and recycle useful IN 718 powders, powder separation is favorable since the filtered samples will be much easier to characterize rather than inspect all the powders at once under microscope. By conducting literature review, I found that powder separation is commonly used in Geology, and Chemistry department. To screen which combination of techniques could be the best for my project, I have consulted several research specialists, obtained adequate knowledge about powder separation. Accordingly, I will summarize the pros and cons of each method with regard the specific project that I am working on, and further explore the impacts of each method under economical, societal, and environmental considerations. Several powder separation techniques will be discussed in details in the following sections, including water elutriation, settling column, magnetic separation and centrifugation. In addition to these methods, sieving, water tabling and panning will be briefly introduced. After detailed comparison, I found that water elutriation is the most efficient way to purity IN718 powder for reuse purpose, and recovery rate is as high as 70%, which could result in a significant reduction in the manufacturing cost for Honeywell since currently Honeywell only use virgin powders to build parts, and 90% of the leftover powders are discarded.
ContributorsLuo, Zheyu (Author) / Adams, James (Thesis director) / Tasooji, Amaneh (Committee member) / Materials Science and Engineering Program (Contributor) / School of Sustainability (Contributor) / Barrett, The Honors College (Contributor)
Created2016-05
Description
Honeywell is currently extending the reach of additive manufacturing (AM) in its product line and expects to produce as much as 40% of its inventory through AM in five years. Additive manufacturing itself is expected to grow into a $3.1 billion dollar industry in the next 5 to 10 years. Reusing IN 718 powder, a nickel-based super alloy metal powder, is an ideal option to reduce costs as well as reduce waste because it can be used with additive manufacturing, but the main obstacles are lack of procedure standardization and product quality assurances from this process. The goal of the capstone project, "Effect of Powder Reuse on DMLS (Direct Metal Laser Sintering) Product Integrity," is to create a powder characterization protocol in order to determine if the IN 718 powder can be reused and what effect the IN 718 reused powder has on the mechanical properties of the products Honeywell fabricates. To provide context and impact of this capstone project, this paper serves to identify the benefits of AM for Honeywell and the cost effectiveness of reusing the powder versus using virgin powder every time. It was found that Honeywell's investment in AM is due to the cost effectiveness of AM, versatility in product design, and to ensure Honeywell remains competitive in the future. In terms of reducing expenses, reusing powder enables costs to be approximately 45% less than using virgin powder. With these key pieces of information, the motivations for this capstone project are understood to a fuller and more profound degree.
ContributorsQuigley, Elizabeth (Co-author) / Luo, Zheyu (Co-author) / Murella, Anoosha (Co-author) / Lee, Wey Lyn (Co-author) / Adams, James (Thesis director) / Tasooji, Amaneh (Committee member) / Materials Science and Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2016-05