A. Magnus G. Carvalho, A.A. Coelho, S. Gama. F.C.G. Gandra, P.J. von Ranke and N.A. de Oliveira investigation of the first-order metamagnetic transitions and ...
Jun 10, 2003 - a FOM Institute for Atomic and Molecular Physics 407 1098 SJ ... not give any warranty express or implied or make any representation that the ...
much higher than in bulk materials, the elastic properties are often studied in the ... wells and AlSb barriers, frequently in the range of 1â2 nm2 or even thinner,12 ...
method.10 Circular masks with a cosine profile were used in the reciprocal space of images to select two non-collinear re- ciprocal lattice vectors g required to ...
Keywords: Peptides folding; Aggregation; Molecular dynamics simulation. 1. ... of a single protein. ... introduced into an amino-acid sequence, the C carbon.
Jul 7, 2014 - theoretical estimations performed using atomic simulations. The dominant role of ..... isotropic sampling of the Brillouin zone using a periodic boundary cell is ... account for several experimental trends, namely: (i) The strong ...
Feb 18, 2011 - ries try to benefit from the self-organizing properties of materials at the ... yield the self-organized behavior of the sand grains [5]. The efficiency ...
... [ÏStSAW (r,t) â Ï0(r)] . (6). This expression is coherent with our former analytical ..... substrate, responsible of the energy transfer between the adatom and the ...
We present a numerical simulation of the phase behavior of a simple model for a protein solution. We find that this ..... ''effective'' power law that describes the dependence of the ... presence of three phases that we will respectively call ''gas,'
stabilizing ligands, concentration, temperature or rate of precursor injection) controlling the final morphologies are ... the morphological control of NPs is mostly driven by kinetic effects. ... families of functional materials. ... Langmuir.20 By
ply try to find the state of lowest free energy. Instead, it is ..... Ncycle cycle(D1. D2) 1 2dt of islands during the same time, one finds. Ncycle. Fid/f 3. 1. N2 1 d f 1 d.
Apr 9, 2012 - the self-assembling properties of materials to avoid this expensive ... of the substrate.9 These simulations have evidenced that the .... proportional to that of the parent standing wave: .... Note that for an infinite crystal, the αn(
Feb 7, 2012 - Low-frequency Raman-scattering spectra are presented for gold nanocrystals with diameters 3.5 and 13 nm. ... eigenmodes of a spherical particle can be derived using Lamb's model.5 ... synthesized in colloidal solutions.
May 30, 2014 - functional theory (DFT) determinations of the atomic core structure of the 1 ... of the Peierls stress, and of the kink formation energy using very large .... the γ-surfaces and the shear elastic constant: EAM models are not able to .
Keywords: Cluster; Nanostructure; Thin film growth; Monte Carlo simulation; Experiment; Equilibration. 1. Introduction .... point is that this coarse-grained, latticeâgas ap- proach needs ..... only interested in finding generic laws for the size.
We perform \standard" kinetic Monte Carlo simulations on a triangular lattice. ... of the initial and nal con gurations, as required by the law of detailed balance ... where islands evolve in local equilibrium with a two-dimensional adatom gas.
Apr 23, 2008 - compared to bulk due to an important surface and/or volume ... zinc-blende GaAs/AlAs planar heterostructures2 has been observed by Raman ...
results and compare it with simulations of the relaxation process. .... these two laws can be expressed as a unique scaling function depending on the rescaled ...
Aug 19, 2010 - silicon substrate by metal-organic chemical vapor deposi- tion [8]. The cross-sections ..... light element of oxygen in a perovskite [23]. Here, we.
evitably produce some steps and facets especially for very small NP. The total ... fixed when relaxing the energy, the symmetry analysis we did in the case of the ... prefer to project elastic modes on atomistic ones as it has already been done in ..
Nov 20, 2012 - lution of the parametric oscillator in classical mechanics is exploited to evidence ... red regions respectively represent A,B,C,D materials. to that of the .... )periodic solutions of the parametric pendulum in the phase space Ëη0 .
Feb 3, 2017 - simulations conducted with our potential are compared with .... Table 1 gives the lattice parameter, bulk modulus, and (001) surface energies for iron ... between the periodic images, and the number of k-points in the direction ...
