Essays about: "ab initio"
Showing result 11 - 15 of 40 essays containing the words ab initio.
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11. Active learning of interatomic potentials to investigate thermodynamic and elastic properties of Ti0.5Al0.5N at elevated temperature
University essay from Linköpings universitet/Teoretisk FysikAbstract : With the immense increase in the computational power available for the material science community in recent years, a range of new discoveries were made possible. Accurate investigations of large scale atomic systems, however, still come with an extremely high computational demand. READ MORE
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12. Analysis of stellar spectra with machine learning
University essay from Lunds universitet/Astronomi - Genomgår omorganisation; Lunds universitet/Institutionen för astronomi och teoretisk fysik - Genomgår omorganisationAbstract : Researchers in the field of Galactic Archaeology have entered the era of industrial revolution. Upcoming surveys are planning on observing tens of millions of stars and high precision and accuracy must be ensured when deriving their stellar parameters and elemental abundances. READ MORE
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13. Accelerating longitudinal spinfluctuation theory for iron at high temperature using a machine learning method
University essay from Linköpings universitet/Teoretisk FysikAbstract : In the development of materials, the understanding of their properties is crucial. For magnetic materials, magnetism is an apparent property that needs to be accounted for. There are multiple factors explaining the phenomenon of magnetism, one being the effect of vibrations of the atoms on longitudinal spin fluctuations. READ MORE
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14. Modeling Radiation Induced Degradation of Lattice Thermal Conductivity
University essay from KTH/MaterialvetenskapAbstract : Nuclear power technology is currently experiencing a revolutionary development process and its utilization is researched and debated throughout the world whereas sustainability is one of the most important topics in the material science arena. Some components in a nuclear power plant are subject to an irradiating environment which will cause significant damage to the material over time. READ MORE
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15. Formation of Eu II spectral features in magnetic chemically peculiar stars
University essay from Uppsala universitet/Institutionen för fysik och astronomiAbstract : The advancing resolution of modern spectrometers uncovers increasingly detailed spectral features in astrophysical observations which can be attributed to properties of the energy structure of the corresponding atomic systems such as fine, hyperfine and Zeeman splitting. At the same time, increasing computational power enables us to include these quantum mechanical interactions on different levels of sophistication in our theoretical atomic structure calculations. READ MORE
