Sökning: "Monte Carlo simulation"

Visar resultat 6 - 10 av 337 avhandlingar innehållade orden Monte Carlo simulation.

1. 6. Polyelectrolyte - Surfactant Interactions in Dilute Suspensions. A Study Based on Monte Carlo simulations and Mean-Field Calcultations

   Författare :Torsten Wallin; Fysikalisk kemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; aggregation number; linear charge density; chain flexibility; mean-field; calculation; simulation; Monte Carlo; cmc; cac; interaction; electrostatic; charged; micelle; polyelectrolyte; surfactant; hydrophilic; hydrophobic; Physical chemistry; Fysikalisk kemi;

   Sammanfattning : The complexation of macroions or charged micelles and oppositely charged polyelectrolytes was studied by the use of Monte-Carlo simulations and mean field calculations. The Monte-Carlo simulations were performed on a simple model system with the emphasis on the electrostatic interaction, (i) polyelectrolyte rigidity, (ii) polyelectrolyte linear charge density, (iii) surfactant tail length, and (iv) the polyelectrolyte concentration. LÄS MER

3. 7. Monte Carlo Simulations of the Equilibrium Properties of Semi-stiff Polymer Chains : Efficient Sampling from Compact to Extended Structures

   Författare :Alexey Siretskiy; Christer Elvingson; Alexander Lyubartsev; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; polymers; equilibrium properties; statistical mechanics; computer simulation; Monte Carlo; Wang-Landau; compact structures; parallel computations; Physical chemistry; Fysikalisk kemi; Chemistry with specialization in Physical Chemistry; Kemi med inriktning mot fysikalisk kemi;

   Sammanfattning : Polymers is a class of molecules which can have many different structures due to a large number of degrees of freedom. Many biopolymers, e.g. DNA, but also synthetic macromolecules have special structural features due to their backbone stiffness. LÄS MER

4. 8. Studies of clinical proton dosimetry using Monte Carlo simulation and experimental techniques

   Författare :Joakim Medin; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Proton dosimetry; Proton stopping power; Monte Carlo; Proton stopping-power ratios; Ionization chamber calibration; medicinsk strålningsfysik; Medical Radiation Physics;

   Sammanfattning : The present work aims at improving clinical proton dosimetry based on ionization chambers, and to bring its state of development closer to the corresponding status of conventional photon and electron dosimetry. In order to accomplish this, both theoretical and experimental methods have been used. LÄS MER

5. 9. Free Energy and Surface Forces in polymer systems: Monte Carlo Simulation Studies

   Författare :Andrei Broukhno; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; polyelectrolytes; electrostatic interactions; phase transitions; colloidal stability; surface forces; Monte Carlo simulation; free energy evaluation; polyampholytes; Physical chemistry; Fysikalisk kemi;

   Sammanfattning : The thesis is focused on two major subjects: - Calculation of free energy is of great help in the study of any molecular system. The free energy determines phase behaviour of colloids and polymer solutions. It also controls the conformational properties of single macromolecules, e.g. LÄS MER

7. 10. Monte Carlo simulation of electron transport in semiconducting zigzag carbon nanotubes

   Författare :Kannan Thiagarajan; Ulf Lindefelt; Hans-Erik Nilsson; Michele Goano; Mittuniversitetet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Carbon nanotubes; Monte Carlo method; drift velocity; mobility; electron-phonon scattering; and electron-defect scattering.;

   Sammanfattning : Since the advent of nanoscale material based electronic devices, there has been a considerable interest in exploring carbon nanotubes from fundamental science and technological perspectives. In carbon nanotubes, the atoms form a cylindrical structure with a diameter of the order 1nm. LÄS MER