Random number generators and their applications in Computer Science with the Monte Carlo Method
Monte Carlo methods are non-parametric algorithms that use random numbers and theorems of probability theory to approximate values that are not random. The purpose of my research was to approximate the surface of different geographical areas that can be easily approximated to polygons (e.g. lakes, glaciers, deserts) with Monte Carlo simulations starting from either Cartesian coordinates or pictures. Computer science would not exist without math, and this research project showed me the importance of a deep understanding of probability theory in the world of simulations and, more generally, the importance of developing new theorems and algorithms. The results of my research could be developed in different ways: it would be interesting to produce software that allows one to approximate areas from pictures taken from a smartphone; as well, the theorem I found has to be proven, and also Monte Carlo methods as a means of random number generation can always be improved. There are still many possibilities.
Determining Crystal Orientation via Reflection High Energy Electron Diffraction
1 Purpose of the Research Nanocrystal thin films exhibit many useful properties, including electrochromicity and superconductivity. When synthesised via Molecular Beam Epitaxy (MBE), selection of substrate, specifically knowledge of crystal orientation, is critical. Reflection High Energy Electron Diffraction (RHEED) is an in situ crystal characterisation method highly compatible with MBE. This study explores a new method of RHEED analysis to determine crystal orientation. 2 Procedure/Theoretical Framework RHEED characterization is the incidence of a beam of high-energy electrons at a low angle with respect to the sample surface. Electrons diffract, and interfere to form patterns on the detector. Traditionally, studies of RHEED analyse one static image as a representation of the surface structure, or observations of RHEED patterns over time. The approach to RHEED analysis in this study exploits changes in RHEED patterns given a rotating substrate. Having specific rotational symmetries along different axes, crystal structures can be differentiated by determining rotational symmetry through RHEED. Electrons scatter upon incidence with crystal planes within the crystal to form Kikuchi lines on the RHEED detector (Fig. 2). The orientation of crystal with respect to incident electron beam affects the Kikuchi line patterns. If the crystal is rotated, crystal planes change orientation, and electrons would diffract from crystal planes in different directions. As such, as the crystal is rotated, the Kikuchi lines move. When the degree of rotation of the crystal corresponds to the rotational symmetry of the crystal (Fig. 1), the Kikuchi lines return to their original position. As crystals with different crystal plane orientations exhibit different orders of symmetries, analyzing the Kikuchi line patterns of the crystal at different degrees of rotation can reveal the rotational symmetry and consequently crystal plane orientation of a crystal. 3 Data/Experimental Testing In order to assess the practical viability of the proposed method, experiments were conducted on SrTiO3 (001), (110), and (111). SrTiO3 exists as a typical perovskite structure (Fig. 3), often used in the synthesis of superconductors via MBE. 3.1 Methodology RHEED images of each sample were taken at 0◦, 60◦, 90◦ and 180◦. Curves were fit to each Kikuchi line observed in the image (Fig. 4). These Kikuchi line approximations are compared by superimposing the curves traced and qualitatively assessing the degree of similarity between the Kikuchi lines of 2 images, to verify the order of symmetry and crystal orientation of the crystal. In the images of the superimposed Kikuchi lines illustrated in Fig. 5, there is similarity between the Kikuchi lines when only when the sample has been rotated by an angle corresponding its degree of symmetry. 4 Conclusions This study offers a method to determine the crystal orientation of thin film through determining the degree of rotational symmetry of the sample, by observation of Kikuchi lines in the RHEED pattern as the sample is rotated. Experimental data was analyzed qualitatively to verify the viability of this theoretical method in practice. This method could be extended to analyze the symmetry of other crystal structures. As it does not require information on the machine settings or usage of complex functions to produce a reliable output, this method is fast and straightforward, opening doors to more streamlined RHEED analysis.
Studies of Hydrogen Evolution Reactions from Aluminum Foil using Waste Materials and Their Reaction Mechanism
Nowadays, the most of waste materials are incinerated and generated the toxic gases in 日本. On the other hand, the Hydrogen gas (H2) has attracted attention as clean energy due to no emissions of toxic gases. In this work, we investigated that the new hydrogen evolution system using waste materials, such as aluminum (Al) foil and lime desiccant, and also investigated their reaction mechanism. The grinded desiccant was added to Erlenmeyer flask containing 300 mL of water. After dissolution the desiccant, the Al foil was added to the solution to begin the reaction. Generated gas was determined by water displacement method. The gas components are identified by gas chromatography. We found that the waste material reaction combined with waste lime desiccant and Al foil could be used for one of the hydrogen evolution system. This reaction is depended on solubility of lime desiccant, thus mean solubility of CaO in water. The Al foil is reacted with the desiccant more than 20 times of reaction stoichiometry. The calcium ion or calcium complex ions are involved with the excess reaction of Al foil.
A Novel Spectroscopic-Chemical Sensor Using Photonic Crystals
Detection of harmful chemicals used in industrial complexes is crucial in order to create a safer environment for the workers. Presently, most chemical detectors used in workplaces are expensive, inefficient, and cumbersome. In order to address these deficiencies, a novel sensor was fabricated to produce a unique spectroscopic fingerprint for various toxic chemicals. The sensor was fabricated by depositing several layers of silica spheres (diameter ~250 nm) on a glass substrate using evaporation-based self assembly. As the spheres assemble to form a photonic crystal, they also create void (i.e., air) spaces in between them. Once the spheres assemble as a photonic crystal, a spectrometer was used to monitor the reflectivity. The spectrum had a high reflectivity at a specific wavelength, which is governed by the average index of refraction between the spheres and the void spaces. As a foreign chemical infiltrates into the photonic crystal, it occupies the void space, which results in an increase of the average index of refraction of the structure. Consequently, the peak wavelength of the reflectivity spectrum red-shifts, which then confirms the presence of a foreign substance. While the as-grown photonic crystal is able to detect chemicals, it is unable to differentiate between chemicals that have similar indices of refraction, such as ethanol and methanol. In order to detect chemicals with similar indices of refraction, five pieces of a single photonic crystal (i.e. five pixel device) were exposed to different silanes, which changed the surface chemistry of the silica spheres in the photonic crystal. In turn, the five pixel device was able to produce a unique chemical fingerprint for several chemicals, which can be calibrated to detect toxins in the workplace.