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Soft Matter, ISSN 1744-683X, 1/2013, Volume 9, Issue 7, pp. 218 - 2119
Multiscale modelling of soft matter is an emerging field that has made rapid progress in the past decade. Several methods for systematic coarse-graining of... 
PAIR POTENTIALS | POLYMER SCIENCE | PHYSICS, MULTIDISCIPLINARY | MATERIALS SCIENCE, MULTIDISCIPLINARY | TRANSFERABILITY | CHEMISTRY, PHYSICAL | POTENTIAL FUNCTIONS | ATOMISTIC SIMULATIONS | MOLECULAR-DYNAMICS SIMULATION | POLYMER MELTS | POLYSTYRENE | MODELS | LIQUID WATER | FORCE-FIELD
Journal Article
Soft Matter, ISSN 1744-683X, 2013, Volume 9, Issue 7, pp. 2108 - 2119
Journal Article
Acta Materialia, ISSN 1359-6454, 03/2019, Volume 166, pp. 484 - 492
The Cluster Expansion formalism based on Density Functional Theory (DFT) simulation data has been applied for Al–Mg alloys with high accuracy (∼1 meV/atom).... 
Cluster expansion | Nucleation | Aluminium alloys | Atomistic modelling | Microstructure | ENERGY | ELASTIC PROPERTIES | CRYSTAL-STRUCTURE | FIELD | MATERIALS SCIENCE, MULTIDISCIPLINARY | METALLURGY & METALLURGICAL ENGINEERING | GP-ZONES | MODEL | ALUMINUM | PHASE | PRECIPITATION | Density functionals | Aluminum alloys | Models | Analysis
Journal Article
Journal of Physics Condensed Matter, ISSN 0953-8984, 03/2014, Volume 26, Issue 10, pp. 103202 - 23
Journal Article
2004, Handbook of nanotechnology, ISBN 081945186X, xiii, 474
Book
BBA - Biomembranes, ISSN 0005-2736, 10/2016, Volume 1858, Issue 10, pp. 2322 - 2333
Journal Article
Journal Article
Scripta Materialia, ISSN 1359-6462, 05/2016, Volume 117, pp. 51 - 54
The core structure and glide behavior of a 〈 + 〉 screw dislocation in Mg is studied using molecular dynamics simulations at 0 K, 70 K and 300 K. We find that... 
Atomistic simulations | Mg alloys | Nonbasal deformation modes | Molecular dynamics | Alloys | Planes | Molecular structure | Simulation | Aircraft detection | Cross slip | Screw dislocations | Glide | Dislocations
Journal Article