Sökning: "3D electron density determination"

Hittade 3 avhandlingar innehållade orden 3D electron density determination.

  1. 1. Studies of inorganic crystal structures and gas adsorption process in mesoporous crystals : New approach through analysis of electron charge distribution by synchrotron powder X-ray diffraction

    Författare :Norihiro Muroyama; Osamu Terasaki; Clément Sanchez; Stockholms universitet; []
    Nyckelord :XRD; Mesoporous; Gas adsorption; Laves Phase; MEM; strukturkemi; Structural Chemistry;

    Sammanfattning : Using synchrotron powder XRD experiments, I studied (i) structures of silica mesoporous MCM-41 and MCM-48 crystals, (ii) gas adsorption processes of Ar and N2 in the mesopores of the mesoporous crystals, and (iii) bonding features of CaAl2-xZnx crystals through the analysis of electron charge density distributions. In the case of mesoporous crystals, the following two different approaches were taken depending on the number of observed X-ray reflections1. LÄS MER

  3. 2. Towards Fast and Robust Algorithms in Flash X-ray single-particle Imaging

    Författare :Jing Liu; Stefan Engblom; Filipe Maia; Janos Hajdu; Helmut Grubmüller; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; X-ray Free Electron lasers XFELs ; 3D electron density determination; Machine learning; Image processing; High-performance computing; GPUs; Uncertainty quantification; X-ray single-particle Imaging; Flash X-ray single-particle diffraction Imaging FXI ; ; Physics with specialization in Biophysics; Fysik med inriktning mot biofysik;

    Sammanfattning : Modern X-ray Free Electron Laser (XFEL) technology provides the possibility to acquire a large number of diffraction patterns from individual biological nano-particles, including proteins, viruses, and DNA. Ideally, the collected data frames are high-quality single-particle diffraction patterns. LÄS MER

  4. 3. Optical Diagnostics of Non-thermal Plasmas and Plasma-assisted Combustion

    Författare :Jiajian Zhu; Förbränningsfysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; High-speed photography; Laser diagnostics; Planar laser-induced fluorescence; Plasma-assisted combustion; Non-thermal plasmas; Gliding arc discharge; Optical diagnostics; Particle tracking velocimetry; Fysicumarkivet A:2015:Zhu;

    Sammanfattning : Non-thermal plasma is regarded as a collection of free electrons, ions and neutral particles that are not at local thermodynamic equilibrium. The high-energetic electrons formed in non-thermal plasmas are capable of generating chemically active species and modifying chemical kinetics in practical applications. LÄS MER