1Division of Physical Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 ... first-principles simulations we obtain a set of atomistic pair-wise effective ...
[61] These ribbons have atomically smooth edges but they are limited to ...... h2 by the formula h1= h2-g. ...... acceleration tension of 5 kV, no gas was injected.
Nov 20, 2015 - [32] A. Lesniak, A. Campbell, M. P. Monopoli, I. Lynch, A. Salvati, and .... DMPC and DLPC lipid bilayers using X-ray scattering from oriented ...
Feb 15, 2018 - within the paper and its Supporting Information ... the blood when plasma glucose levels are high and produces glucose when plasma ... The transport of plasma metabolites from the lumen of sinusoids through ...... gradient of oxygen an
Oct 19, 2017 - GRAPHENE/CYCLOALIPHATIC EPOXY COMPOSITES ...... Figure 26 Plot of thermal conductivity as a function of carbon fiber volume fraction ...
2 Feb 2016 - reaction mixture and stirred for 15 min at room temperature. ..... [33] Xiaolong Yan, Jianguo Chen, Yufa Qi, Jinrong Cheng, Z. Meng,.
Multiscale analysis of wave propagation in composite materials ... Published online: 14 Oct 2010. To cite this ... Modelling and Analysis, 8:4, 267-282 ..... TXW eFf avelets (Ã.1), can be obtained also as solutions o`Y a class o`Y diËff erential.
Mar 30, 2009 - [3] Tim J. Booth, Peter Blake, Rahul R. Nair, Da Jiang,. Ernie W. Hill, Ursel Bangert, Andrew Bleloch, Mhairi. Gass, Kostya S. Novoselov, M. I. ...
Apr 15, 2014 - cInstitute of Physics of Materials, ASCR, CEITEC IPM, Zizkova 22, 616 62 Brno, Czech ... eInstitute of Materials Research, Slovak Academy of Sciences, Watsonova 47, 04001 Kosice, Slovak Republic .... equation [21,22].
Oct 29, 2018 - Nano-Graphene Oxide, Ultrafiltration Membrane, Polysulfone, Water. Purification. 1. .... fingerlike pores were filled with sponge pores. Normally ...
Aug 19, 2011 - Keywords: graphene; plasmon; tight-binding model; impurity; quantitative visualization. 1. Introduction. Graphene is a single-layer atomically ...
Jul 15, 2010 - highly oxidized graphene basal plane from the generation ... of attraction between the large and planar basal planes. Liquidrliquid interfacial ...
University of Sumatera Utara, Medan 20500, Indonesia. 2Nanomedicine ... The effect of Pt loading on graphene nanosheets (GNS) at electrode catalyst fuel cell was carried out. .... ethanol solution of the precursor was mixed with ethanol ...
Jul 10, 2016 - functionalization of the silica particles can be performed simultaneously within a single reaction step, by utilizing ... [6â10]. These so-called superhydrophobic (water-repellent) ... achieved for variety of organic solvents [13].
Rudy G. Buchheit (Fontana Corrosion Center, Ohio State University) who ... Highly useful suggestions were provided by Drs. Tony Cook (Manchester University) ...
2 EDF-CNRS joint laboratory EM2VM (Study and Modeling of the Microstructure for Ageing of Materials). Structural metallic materials used in nuclear facilities ...
AND TRANSPORT PHENOMENA IN LIVING TISSUES ..... and circulatory system;
fast flow in large vessels and slow flow in the capillary bed; the transport of a.
Mar 18, 2011 - scc, câ = c0c, xâ = Lx, tâ = Ït, Ïâ = ¯ΦÏ,. Iâ = ¯JAI, j. â = ¯Jj, Gâ a = ¯. J. L. ¯. BF. Ga, Gâ c = ¯ ...... Cells. J. Electrochem. Soc. 150: A98-A106.
Dec 1, 2003 - of solving quantum mechanics equations of motion is first reviewed, with .... In this overview article, we briefly outline the status of research in each ..... The following presentation outlines the basic equations and princi- ples of
The majority of numerical tools currently available for constitutive description of ... When using GFEM, it is necessary to know the possible locations of the crack ... or a generalized inverse if the domain s is floating, in which case R(s) are the
Nov 27, 2008 ... a Department of Mechanical and Process Engineering, University of
Kaiserslautern, P.O. Box 3049, 67653 Kaiserslautern, Germany.
François A. Detcheverry, Darin Q. Pike, Paul F. Nealey,. Marcus Müller and Juan J. de ...... 28 L. Reatto, D. Levesque and J. J. Weis, Phys. Rev. A: At., Mol., Opt.
l ess u n d e r stoo d m at h e m ati c a lly, o r m o r e int r i c ate an d te ch nic a .... ot hc o mmu nities a b o v e , we a r e awa r e t h at an int r o duc to ry te x t , a l -.
cancy defects in body-centred cubic transition metals forming groups 5B (vana- ... ture calculations, we derive a family of Finnis-Sinclair-type interatomic potentials ... tions showed that self-interstitial atoms were able to migrate at extremely lo
Prague, Czech Republic â April 1 â 2, 2016. DOI: 10.11159/icnms16.1. Keynote 1-1. Multiscale Modelling of Graphene from Nano to Micron Scales. Tapio Ala- ...
Proceedings of the World Congress on Recent Advances in Nanotechnology (RAN’16) Prague, Czech Republic – April 1 – 2, 2016 DOI: 10.11159/icnms16.1
Multiscale Modelling of Graphene from Nano to Micron Scales Tapio Ala-Nissila Department of Applied Physics and COMP CoE Aalto University School of Science P.O. Box 11000 FIN-0076 Aalto, Espoo Finland
Over the last few years novel two-dimensional materials and nanoscopically thin heteroepitaxial overlayers have attracted intense attention due to their unusual properties and important technological applications. Many physical properties of these systems such as thermal conductivity and electrical transport, are intimately coupled to the large scale mechanical and structural properties of the materials. However, modeling such properties is a formidable challenge due to a wide span of length and time scales involved. In this talk, I will review recent significant progress in structural multi-scale modeling of two-dimensional materials and thin heteroepitaxial overlayers [1], and graphene in particular, based on the Phase Field Crystal (PFC) model. The PFC model allows one to reach diffusive time scales for structural relaxation of the materials at the atomic scale, which facilitates quantitative characterisation of domain walls, dislocations, grain boundaries, and straindriven self-organisation up to micron length scales [1]. This allows one to study thermal conduction and electrical transport in realistic multi-grain systems.
References [1] K. R. Elder et al, Phys. Rev. Lett., vol. 108, 226102, 2012; Phys. Rev. B, vol. 88, 075423, 2013.
