Essays about: "EMTO"

Found 3 essays containing the word EMTO.

1. 1. Ab inito calculation of the formation energy of the sigma phases at 1000 Kelvin : With a five sublattice model for the ternary Iron-Chromium-Nickel system

   University essay from KTH/Materialvetenskap

   Author : Fabian Mathias Veid; [2022]
   Keywords : ;

   Abstract : This project investigates the σ-phase formation energy at 1000 Kelvin using Exact Muffin TIn Orbital (EMTO) method and considers the disordered local moment approach to handle the paramagnetism in a self-consistent manner. The sigma phase is detrimental and causes embrittlement when it occurs primarily in stainless steel and superalloys with Iron (Fe) and Chromium (Cr), which is why it is necessary to understand it better and therefore avoid it. READ MORE

3. 2. A first principles study of the thermodynamics of phase separating systems -The examples RhPd and AlZn-

   University essay from Institutionen för fysik, kemi och biologi

   Author : Jimmy Johansson; [2009]
   Keywords : Density Functional Theory; Phase Separating Alloy; Coherent Potential Approximation; Exact Muffin Tin Orbital method; Generalized Perturbation Method;

   Abstract : A screened GPM approach in an EMTO-CPA framework was investigated in order to study its ability of describing transition temperatures in phase separating systems, i. e. systems giving either a random or a cluster structure depending on the temperature and the relative concentration of the ingoing atoms of the binary alloy used for the study. READ MORE

4. 3. First-Principles Study of Elastic Properties of Fe-Mg alloy at Earth’s core pressure

   University essay from Institutionen för fysik, kemi och biologi

   Author : Ulf Kargén; [2008]
   Keywords : Density Functional Theory; EMTO; Earth’s core; High-Pressure Alloying; Fe-Mg alloy; Elastic Constants;

   Abstract : The purpose of this thesis has been to investigate the elastic properties of an fcc FeMg alloy with 10 at.% magnesium under high pressure. READ MORE