Sökning: "random alloy"

Visar resultat 1 - 5 av 32 avhandlingar innehållade orden random alloy.

1. 1. First-principles investigations of ordering in binary alloys

   Författare :Moshiour Rahaman; Andrei Ruban; Staunton Julie; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; ordering; random; alloys;

   Sammanfattning : The aim of the thesis is to study ordering in binary alloys on the basis of first-principles or {\it ab-initio} techniques employing density functional theory (DFT). The ordering phenomena of materials are of crucial importance for technological applications. LÄS MER

3. 2. Influence of Global Composition and Local Environment on the Spectroscopic and Magnetic Properties of Metallic Alloys

   Författare :Weine Olovsson; Igor A. Abrikosov; G. Malcolm Stocks; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; core level shift; random alloy; first principles simulations; density functional theory; auger kinetic energy; Invar alloys; exchange parameter; classical Heisenberg Hamiltonian; complete screening; transition state; disorder broadening; Fysik; Physics; Fysik;

   Sammanfattning : Theoretical investigations of spectroscopic and magnetic properties of metallic systems in the bulk, as well as in nanostructured materials, have been performed within the density functional theory. The major part of the present work studies the differences between binding energies of electrons tightly bound to the atoms, the so-called core electrons (in contrast with the valence electrons), that is, core-level binding energy shift (CLS). LÄS MER

4. 3. Hunting Hydrogen : Structure-property relations in High Entropy Alloy-based metal hydrides

   Författare :Gustav Ek; Martin Sahlberg; Ulrich Häussermann; William I.F. David; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Hydrogen; metal-hydride; High Entropy Alloy; Chemistry with specialization in Inorganic Chemistry; Kemi med inriktning mot oorganisk kemi;

   Sammanfattning : Metal hydrides have many uses when switching the energy system from fossil fuels to renewable sources, such as rechargeable batteries, hydrogen storage, hydrogen compression and thermal storage. State of the art materials for these applications such as LaNi5 and TiFe, however, suffer certain limitations such as degradation during repeated hydrogen cycling and harsh activation conditions for initial hydrogen uptake, promoting the need for novel materials. LÄS MER

5. 4. Materials design from electronic structure calculations: Random alloy and Diluted Magnetic Semiconductor

   Författare :Lunmei Huang; Uppsala universitet; []
   Nyckelord :;

   Sammanfattning : .... LÄS MER

7. 5. Improved mapping of steel recycling from an industrial perspective

   Författare :Alicia Gauffin; Anders Tilliander; Ichiro Daigo; KTH; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Recycling rate; lifetime; steel scrap; scrap reserve; dynamic material flow modelling; environmental analysis; greenhouse gas emissions; energy; alloy content; forecasting; backcasting; Teknisk materialvetenskap; Materials Science and Engineering;

   Sammanfattning : The results from this study show that it is possible to obtain data series on the steel scrap collection based on mass balance model on the crude steel production figures by steelmaking reactor type and additional knowledge on process metallurgy as well as information on inputs and outputs into the reactors with an area correlation coefficient of 0,91 compared to data obtained from trade statistics. Furthermore, the study shows that based on a new method it is possible to calculate the time duration of mass flows on a continuous basis. LÄS MER