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Acta materialia, ISSN 1359-6454, 02/2017, Volume 125, pp. 311 - 320
Journal Article
Journal of physics. Condensed matter, ISSN 1361-648X, 03/2014, Volume 26, Issue 10, pp. 103202 - 103202
Journal Article
Scientific reports, ISSN 2045-2322, 01/2017, Volume 7, Issue 1, pp. 41033 - 41033
This report presents an accelerated kinetic Monte Carlo (KMC) method to compute the diffusivity of hydrogen in hcp metals and alloys, considering both... 
Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | atomistic models | MATERIALS SCIENCE | hydrogen diffusion | condensed-matter physics | metals and alloys | accelerated kinetic Monte Carlo
Journal Article
International journal of solids and structures, ISSN 0020-7683, 01/2009, Volume 46, Issue 2, pp. 238 - 253
We present an expression developed for calculating an atomic-scale deformation gradient within atomistic simulations... 
Continuum | Mechanics | Atomistic simulation | Finite deformation | Strain | Technology | Science & Technology | Thin films | Dielectric films
Journal Article
Journal of the mechanics and physics of solids, ISSN 0022-5096, 02/2011, Volume 59, Issue 2, pp. 160 - 177
Journal Article
Journal of the mechanics and physics of solids, ISSN 0022-5096, 09/2016, Volume 94, pp. 191 - 206
Journal Article
Annual review of physical chemistry, ISSN 1545-1593, 05/2008, Volume 59, Issue 1, pp. 545 - 571
Journal Article
Journal of polymer science. Part B, Polymer physics, ISSN 0887-6266, 12/2016, Volume 54, Issue 23, pp. 2448 - 2456
The stability of poly(3-hexylthiophene) (P3HT) helical structure has been investigated in vacuo and in amorphous polymer surrounding via molecular dynamics-based simulations at temperatures below and above the P3HT melting point... 
dynamics | the most | considered as one of | introduction solar energy is | organic photovoltaics | atomistic models | computer simulation | molecular | p3ht | the use of photovol | energy | promising sources of renewable | P3HT | molecular dynamics | Polymer Science | Physical Sciences | Science & Technology | Molecular dynamics | Polymer industry | Chemical properties | Polymers | Analysis | Stability | Molecular structure | Simulation | Amorphous structure | Chains (polymeric) | High temperature | Electrostatics
Journal Article