Ab initio investigation of monoclinic phase stability and martensitic transformation in crystalline polyethylene
Journal article, 2018
dispersion corrections
Density functional theory
functionals
Author
Par A. T. Olsson
Malmö university
Lund University
Per Hyldgaard
Chalmers, Microtechnology and Nanoscience (MC2), Electronics Material and Systems
Elsebeth Schröder
Chalmers, Microtechnology and Nanoscience (MC2), Quantum Device Physics
Elin Persson Jutemar
Tetra Pak
Eskil Andreasson
Blekinge Tekniska Högskola, BTH
Tetra Pak
Martin Kroon
Linnaeus University
Physical Review Materials
24759953 (eISSN)
Vol. 2 7 7-13 075602Consistent-exchange van der Waals density functional studies of bonding, morphology changes, and optical response in molecular energy systems
Swedish Research Council (VR) (2014-4310), 2015-01-01 -- 2018-12-31.
Pollutant physisorption and weak chemisorption - atomic-scale theory and calculations
Swedish Research Council (VR) (2014-5289), 2015-01-01 -- 2018-12-31.
Carbon Based High Speed 3D GaN Electronics System
Swedish Foundation for Strategic Research (SSF) (SE13-0061), 2014-03-01 -- 2019-06-30.
Subject Categories
Inorganic Chemistry
Physical Chemistry
Condensed Matter Physics
Driving Forces
Sustainable development
Areas of Advance
Production
Energy
Materials Science
Infrastructure
C3SE (Chalmers Centre for Computational Science and Engineering)
DOI
10.1103/PhysRevMaterials.2.075602