Matching Items (4)
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- All Subjects: Density Functional Theory
- All Subjects: Vitamins
- 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
Vitamins and minerals are, by definition, essential substances that are necessary for good health, and needed by every cell and organ to function appropriately. A deficiency of any one vitamin or mineral can be very serious. Although a very healthy diet rich in vegetables, fruits, and protein can provide sufficient amounts of most vitamins and minerals, many people do not consume an adequate diet. During pregnancy, there is an increased need for vitamins and minerals to promote a healthy pregnancy and a healthy baby. Prenatal supplements are intended to supplement a normal diet to ensure that adequate amounts of vitamins and minerals are consumed. The US Food and Drug Administration (FDA) has established Recommended Dietary Allowances for total vitamin/mineral intake from food and supplements, but they have not established recommendations for prenatal supplements. Therefore, there is a very wide variation in the content and quality of prenatal supplements. Many prenatal supplements contain only minimal levels of some vitamins and few or no minerals, in order to minimize cost and the number of pills. This results in insufficient vitamin/mineral supplementation for many women, and hence does not fully protect them or their children from pregnancy complications and health problems. Therefore, we have created our own set of recommendations for prenatal supplements. Our recommendations are based primarily on four sources: 1) FDA's Recommended Daily Allowances for pregnant women, which are estimated to meet the needs of 97.5% of healthy pregnant women. 2) FDA's Tolerable Upper Limit, which is the maximum amount of vitamins/minerals that can be safely consumed without any risk of health problems. 3) National Health and Nutrition Examination Survey (NHANES), which evaluates the average intake of vitamins and minerals by women ages 20-40 years in the US 4) Research studies on vitamin/mineral deficiencies or vitamin/mineral supplementation during pregnancy, and the effect on pregnancy, birth, and child health problems. In summary, the RDA establishes minimum recommended levels of vitamin/mineral intake from all sources, and the NHANES establishes the average intake from foods. The difference is what needs to be consumed in a supplement, on average. However, since people vary greatly in the quality of their diet, and since most vitamins and minerals have a high Tolerable Upper Limit, we generally recommend more than the difference between the RDA and the average NHANES. Vitamins generally have a larger Tolerable Upper Limit than do minerals. So, we recommend that prenatal vitamin/mineral supplements contain 100% of the RDA for most vitamins, and about 50% of the RDA for most minerals. However, based on additional research studies described below, in some cases we vary our recommendations from those averages.
ContributorsSorenson, Jacob (Author) / Adams, James (Thesis director) / Pollard, Elena (Committee member) / College of Integrative Sciences and Arts (Contributor) / Barrett, The Honors College (Contributor)
Created2017-05
Description
When viewing vitamins and minerals, it is seen that they are essential for human life and vital for pregnancy. When paired with a healthy diet, prenatal supplements can allow for a healthy pregnancy and reduced maternal and infant health problems. Within this thesis, I was able to break down each vitamin and mineral necessary for a healthy pregnancy and birth. Further, I had the opportunity to dive into the addition of Omega-3 Fatty Acid during pregnancy to add more evidence to the study.
ContributorsSaad, Sophia Saad (Author) / Adams, James (Thesis director) / Haiwei, Gu (Committee member) / Coleman, Devon (Committee member) / School of Life Sciences (Contributor) / Barrett, The Honors College (Contributor)
Created2020-12