Sökning: "dissipative particle dynamics"

Visar resultat 1 - 5 av 10 avhandlingar innehållade orden dissipative particle dynamics.

1. 1. Estimating Effective Interactions from Particle Trajectories

   Författare :Kolbjörn Tunström; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Mori-Zwanzig projection; Force matching; United atoms; Multi-scale molecular dynamics; Coarse-graining; Molecular dynamics thermostat; Inverse Monte Carlo; Dissipative particle dynamics; Swarming;

   Sammanfattning : The theoretical and practical understanding of molecular systems is strongly dependent on computer simulations. All-atom molecular dynamics techniques are capable of sim- ulating systems on the scale of millions of particles up to about 100 ns. LÄS MER

3. 2. Deriving effective forces for mesoscopic particle simulations

   Författare :Johan Nyström; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Coarse graining; Boids; Force covariance; Mori-Zwanzig projection; Dissipative particle dynamics; Force matching; Flocking.;

   Sammanfattning : In the field of molecular simulations, the long-standing aim has been to study mechanisms that cannot easily be observed in experiments or understood in terms of more abstract models. This is hard for systems of mesoscopic size (proteins, membranes etc. LÄS MER

4. 3. Deriving coarse grained descriptions of particle based simulations

   Författare :Johan Nyström; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Coarse graining; Mori-Zwanzig projection; Dissipative particle dynamics;

   Sammanfattning : In the field of molecular simulations, the long standing aim has been to study mechanisms that cannot easily be observed in experiments or understood in terms of more abstract models. Fully detailed molecular dynamics simulations can be extremely successful in many areas, but when applied to mesoscopic systems with a large number of molecules, the time and length scales on which important phenomena take place are often far beyond what is feasible to simulate with modern computers. LÄS MER

5. 4. Simulations of Transport Phenomena and Porous Structures Using Dissipative Particle Dynamics

   Författare :Erik Johansson; Värmeöverföring; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY;

   Sammanfattning : The topic of this work is simulations of porous materials and transport phenomena at a mesoscopic length scale, i.e., a length scale larger than an individual atom but smaller than the continuum. The porous material studied is a membrane used in fuel cells. LÄS MER

7. 5. Critical Scaling in Particle Systems and Random Graphs

   Författare :Vasilii Goriachkin; Matematisk statistik; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; dissipative force; particles collisions; random graphs; random walks; martingales; geometric random graphs; neural networks; critical scaling; diffusion approximation;

   Sammanfattning : The purpose of this thesis is to study the behavior of macro-systems through their micro-parameters. In particular, we are interested in finding critical scaling in various models.Paper I investigates the influence of discrete-time collisions on particle dynamics. LÄS MER