Sökning: "metadynamic"

Hittade 4 avhandlingar innehållade ordet metadynamic.

  1. 1. Atomistic simulations of structural and dynamical properties of liquids under geometric constraints

    Författare :Lorenzo Agosta; Alexander Lyubartsev; Marialore Sulpizi; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; liquid; contraint; TiO2; surfaces; bio-inorganic; molecular dynamic; ab-initio; tight-binding; DFT; metadynamic; free energy; nanoparticles; water; amino acids; adsorption; mesophases; hexatic; smectic; triply periodic network; Fddd; fysikalisk kemi; Physical Chemistry;

    Sammanfattning : The statistical-mechanical description of liquids represents a formidable problem in physic due to the absence of the analytical theory of the liquid state. Atomistic simulations represent a unique source of information in this respect and can be implemented in order address macroscopically measurable liquid properties, including its structure and dynamics, based on the information of the interactions between its constituent molecules. LÄS MER

  3. 2. Modeling the microstructural evolution during hot working of C-Mn and Nb microalloyed steels using a physically based model

    Författare :Linda Lissel; Stefan Jonsson; Bertil Ahlblom; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; austenite; modeling; hot deformation; microstructure evolution; static recrystallization; dynamic recrystallization; metadynamic recrystallization; Other materials science; Övrig teknisk materialvetenskap;

    Sammanfattning : Recrystallization kinetics, during and after hot deformation, has been investigated for decades. From these investigations several equations have been derived for describing it. The equations are often empirical or semi-empirical, i.e. LÄS MER

  4. 3. Modeling the microstructural evolution during hot working of C-Mn and of Nb microalloyed steels using a physically based model

    Författare :Linda Lissel; []
    Nyckelord :austenite; modeling; hot deformation; microstructure; evolution; static recrystallization; dynamic recrystallization; metadynamic recrystallization; Modellering av mikrostrukturutvecklingen hos mikrolegerade stål under varmdeformation;

    Sammanfattning : Recrystallization kinetics, during and after hot deformation, has been investigated for decades. From these investigations several equations have been derived for describing it. The equations are often empirical or semi-empirical, i.e. LÄS MER

  5. 4. Modeling the Microstructural Evolution during Hot Deformation of Microalloyed Steels

    Författare :Linda Bäcke; Stefan Jonsson; Eric J. Palmiere; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; modeling; austenite; microalloyed steels; hot deformation; microstructure evolution; static recrystallization; dynamic recrystallization; metadynamic recrystallization<; Materials science; Teknisk materialvetenskap;

    Sammanfattning :   This thesis contains the development of a physically-based model describing the microstructural evolution during hot deformation of microalloyed steels. The work is mainly focused on the recrystallization kinetics. During hot rolling, the repeated deformation and recrystallization provides progressively refined recrystallized grains. LÄS MER