Sökning: "Atomistic processes"

Visar resultat 1 - 5 av 37 avhandlingar innehållade orden Atomistic processes.

1. 1. Coarse-grained and atomistic modelling of phosphorylated intrinsically disordered proteins

   Författare :Ellen Rieloff; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; intrinsically disordered proteins; phosphorylation; simulations; Monte Carlo; molecular dynamics; coarse-graining; atomistic; statherin; small-angle X-ray scattering; circular dichroism;

   Sammanfattning : Intrinsically disordered proteins (IDPs) are involved in many biological processes such as signalling, regulation and recognition. One of the main questions regarding IDPs is how sequence, structure and function are related. LÄS MER

3. 2. A Study of Group 13-Nitride Atomic Layer Deposition : Computational Chemistry Modelling of Atomistic Deposition Processes

   Författare :Karl Rönnby; Lars Ojamäe; Henrik Pedersen; Simon Elliott; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : The crystalline solids aluminium nitride (AlN), gallium nitride (GaN) and indium nitride (InN), together with their alloys, are of huge interest in the semiconductor industry. Their bandgaps span an extensive range from 6.0 eV for AlN to 0.7 eV for InN, with GaN in between at a bandgap of 3. LÄS MER

4. 3. Nanoscale structure forming processes : Metal thin films grown far-from-equilibrium

   Författare :Viktor Elofsson; Kostas Sarakinos; Robert D. Boyd; Diederik Depla; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : Thin film growth from the vapor phase has for a long time intrigued researchers endeavouring to unravel and understand atomistic surface processes that govern film formation. Their motivation has not been purely scientific, but also driven by numerous applications where this understanding is paramount to knowledge-based design of novel film materials with tailored properties. LÄS MER

5. 4. Molecular Processes in Dynamic Wetting : Du som saknar dator/datorvana kan kontakta Cathrine Bergh, [email protected] för information

   Författare :Petter Johansson; Berk Hess; Erik Lindahl; Guillaume Galliero; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; contact lines; nanodroplets; computational physics; molecular dynamics; fluid dynamics; multi-phase flows; electrowetting; Biologisk fysik; Biological Physics;

   Sammanfattning : The spreading of liquids onto and over surfaces is a fundamental process in nature. It is present in all forms and sizes: From rivers carving through landscapes, to our blood stream transporting nutrients to cells, and even single water molecules moving through channels into these cells. LÄS MER

7. 5. Molecular Dynamics Studies of Low-Energy Atom Impact Phenomena on Metal Surfaces during Crystal Growth

   Författare :Dragan Adamovic; Peter Münger; Thomas Michely; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular dynamics simulations; Low energy Ion irradiation; Atomistic processes; Thin film growth; Physics; Fysik;

   Sammanfattning : It is a well-known fact in the materials science community that the use of low-energy atom impacts during thin film deposition is an effective tool for altering the growth behavior and for increasing the crystallinity of the films. However, the manner in which the incident atoms affect the growth kinetics and surface morphology is quite complicated and still not fully understood. LÄS MER