Sökning: "disordered structure"

Visar resultat 1 - 5 av 160 avhandlingar innehållade orden disordered structure.

1. 1. Theory of Disordered Magnets

   Författare :Oleg E. Peil; Börje Johansson; Hubert Ebert; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; disordered alloys; magnetic alloys; spin glasses; ab initio calculations; Monte Carlo methods; Physics; Fysik;

   Sammanfattning : Studying magnetic properties of disordered alloys is important both for the understanding of phase transformations in alloys and from the point of view of fundamental issues of magnetism in solids. Disorder in a magnetic system can result in unconventional magnetic structures, such as spin glass, which have rather peculiar features. LÄS MER

3. 2. On protein structure, function and modularity from an evolutionary perspective

   Författare :Robert Pilstål; Björn Wallner; Maria Sunnerhagen; Mauno Vihinen; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; bioinformatics; structure; biology; intrinsical; disorder; protein; sequence; evolution; mutation; epistasis; function; allostery; dynamics; simulation; prediction; graph; network; bioinformatik; struktur; biologi; strukturbiologi; intrinsiellt; oordnad; protein; sekvens; evolution; mutation; epistasis; funktion; allosteri; dynamik; simulation; prediktion; graf; nätverk;

   Sammanfattning : We are compounded entities, given life by a complex molecular machinery. When studying these molecules we have to make sense of a diverse set of dynamical nanostructures with wast and intricate patterns of interactions. LÄS MER

4. 3. Local structure in disordered materials studied by neutron scattering and RMC modelling

   Författare :Liselotte Karlsson; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Nuclear physics; Local structure; neutron scattering; RMC modelling; metallic glasses; high Tc; superconductors; fast ion conductors; Kärnfysik; Nuclear physics; Kärnfysik; Physics Of Matter; materiefysik;

   Sammanfattning : Different disordered materials are becoming more and more important in various technological applications. There is a need to improve our detailed understanding of the local structure of such materials and how the atomic structure is related to macroscopic physical properties. LÄS MER

5. 4. Disordered Icosahedral Boron-Rich Solids : A Theoretical Study of Thermodynamic Stability and Properties

   Författare :Annop Ektarawong; Björn Alling; Michael Widom; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Icosahedral boron-rich solids; Boron carbide; Configurational disorder; First-principles calculations; Thermodynamic stability; Superatom-special quasirandom structure;

   Sammanfattning : This thesis is a theoretical study of configurational disorder in icosahedral boron-rich solids, in particular boron carbide, including also the development of a methodological framework for treating configurational disorder in such materials, namely superatom-special quasirandom structure (SA-SQS). In terms of its practical implementations, the SA-SQS method is demonstrated to be capable of efficiently modeling configurational disorder in icosahedral boron-rich solids, whiles the thermodynamic stability as well as the properties of the configurationally disordered icosahedral boron-rich solids, modeled from the SA-SQS method, can be directly investigated, using the density functional theory (DFT). LÄS MER

7. 5. Detailed structure features from 3D electron diffraction : Heteroatoms, framework disorders, and guest species in zeolites

   Författare :Jungyoun Cho; Xiaodong Zou; Tom Willhammar; Miguel Camblor; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; electron crystallography; zeolite; transmission electron microscope; structure determination; oorganisk kemi; Inorganic Chemistry;

   Sammanfattning : 3D electron diffraction (3D ED) has evolved as a powerful method for ab initio structure determination from sub micrometer-sized crystals. It can be used to elucidate the arrangement of atoms in crystalline materials and to provide insights into the laws of nature that govern the properties of matter. LÄS MER