Matching Items (4)
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- All Subjects: Aerospace
- 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
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
Description
A novel approach, the Invariant Based Theory of Composites and the "Trace" method it proposes, has the potential to reduce aerospace composite development times and costs by over 30% thus reinvigorating the development process and encouraging composite technology growth. The "trace" method takes advantage of inherent stiffness properties of laminates, specifically carbon fiber, to make predictions of material properties used to derive design allowables. The advantages of the "trace" theory may not necessarily be specific to the aerospace industry, however many automotive manufacturers are facing environmental, social and political pressure to increase the gas mileage in their vehicles and reduce their carbon footprint. Therefore, the use of lighter materials, such as carbon fiber composites, to replace heavier metals in cars is inevitable yet as of now few auto manufacturers implement composites in their cars. The high material, testing and development costs, much like the aerospace industry, have been prohibitive to widespread use of these materials but progress is being made in overcoming those challenges. The "trace" method, while initially intended for quasi-isotropic, aerospace grade carbon-fiber laminates, still yields reasonable, and correctable, results for types of laminates as well such as with woven fabrics and thermoplastic matrices, much of which are being used in these early stages of automotive composite development. Despite the varying use of materials, the "trace" method could potentially boost automotive composites in a similar way to the aerospace industry by reducing testing time and costs and perhaps even playing a role in establishing emerging simulations of these materials.
ContributorsBrown, William Ross (Author) / Adams, James (Thesis director) / Anwar, Shahriar (Committee member) / Krause, Stephen (Committee member) / Materials Science and Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2016-05