Sökning: "Random Alloys"

Hittade 5 uppsatser innehållade orden Random Alloys.

  1. 1. High-throughput ab-initio calculation of the elastic constants of alloys with vacancies - Ta0.5Al0.5N1-x and Nb0.5Al0.5N1-x with x = 0.03, 0.05 and 0.10

    Master-uppsats, Linköpings universitet/Teoretisk Fysik

    Författare :Sadeq Hassani; [2023]
    Nyckelord :Vacancy concentration; Structural properties; Mechanical properties; High-throughput calculations; TaAlN; NbAlN;

    Sammanfattning : In today's data-driven society, data holds immense value and is sought after across various domains, including the realm of science. Materials science, in particular, relies heavily on data acquisition and analysis to further advancements in the field. LÄS MER

  3. 2. Elastic constants and sound velocities of Fe0.87Mn0.13 random alloy from first principles

    Kandidat-uppsats, Teoretisk Fysik; Tekniska högskolan

    Författare :Jesper Norell; [2012]
    Nyckelord :DFT; elastic constants; sound velocities; random alloys; Fe; Mn; first principles;

    Sammanfattning : In this study the elastic properties of a fcc Fe0.87Mn0.13 random alloy are studied by ab initio calculations. Ground state lattice parameters and elastic properties are calculated with Density Functional Theory using the Exact Muffin-Tin Orbital method and the Coherent Potential Approximation. LÄS MER

  4. 3. Precipitation during Tempering of Martensite in Fe-Cr-C alloys

    Master-uppsats, KTH/Materialvetenskap

    Författare :Chanachon Techaboonanek; [2012]
    Nyckelord :precipitation; microstructure; tempered martensite; Fe-C-Cr alloys; carbide; simulation;

    Sammanfattning : The martensite structure is the most important microstructure in tool steel due to its high hardness. However, a lack of ductility is the major drawback. In order to improve the ductility and still maintaining a suitable hardness a tempering process is needed. LÄS MER

  5. 4. First-Principles calculations of Core-Level shifts in random metallic alloys: The Transition State Approach

    Uppsats för yrkesexamina på grundnivå, Institutionen för fysik, kemi och biologi

    Författare :Christian Göransson (Asker); [2004]
    Nyckelord :Theoretical physics; Density-functional theory; Random Alloys; Coherent-Potential Approximation; Transition-State model; Complete Screening; Teoretisk fysik;

    Sammanfattning : The overall aim of this thesis is to compare different methods for calculation of Core-Level shifts in metallic alloys. The methods compared are the Initial State model, the Complete screening and the Transition state model. Core-level shifts can give information of chemical bonding and about the electronic structure in solids. LÄS MER

  7. 5. Ab-initio study of disorder broadening of core photoemission spectra in random metallic alloys

    Uppsats för yrkesexamina på grundnivå, Institutionen för fysik, kemi och biologi

    Författare :Tobias Marten; [2004]
    Nyckelord :Theoretical physics; Density-Functional Theory; Core-Level Shift; Random Alloy; Coherent Potential Approximation; Supercell; Local Interaction Zone; Teoretisk fysik;

    Sammanfattning : Ab-initio results of the core-level shift and the distribution about the average for the 3d5/2 electrons of Ag, Pd and 2p3/2 of Cu are presented for the face-centered-cubic AgPd and CuPd random alloys. The complete screening model, which includes both initial and final states effects in the same scheme, has been used in the investigations. LÄS MER