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Search for "numerical implementation" in Full Text gives 6 result(s) in Beilstein Journal of Nanotechnology.

On the frequency dependence of viscoelastic material characterization with intermittent-contact dynamic atomic force microscopy: avoiding mischaracterization across large frequency ranges

  • Enrique A. López-Guerra and
  • Santiago D. Solares

Beilstein J. Nanotechnol. 2020, 11, 1409–1418, doi:10.3762/bjnano.11.125

Graphical Abstract
  • interactions were represented using Generalized Maxwell models (Figure 1b) with the parameters given in Table 1. The AFM tip was treated as a spherical indenter with a radius of curvature of 5 nm, and its incorporation into the viscoelastic model followed the numerical implementation of the method of
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Published 15 Sep 2020

Resonance of graphene nanoribbons doped with nitrogen and boron: a molecular dynamics study

  • Ye Wei,
  • Haifei Zhan,
  • Kang Xia,
  • Wendong Zhang,
  • Shengbo Sang and
  • Yuantong Gu

Beilstein J. Nanotechnol. 2014, 5, 717–725, doi:10.3762/bjnano.5.84

Graphical Abstract
  • different dopants. The study will be carried out by large-scale molecular dynamics (MD) simulations. Both perfect and defective (with initial vacancies) GNRs doped with boron and nitrogen will be considered. Numerical implementation Based on large-scale molecular dynamics (MD) simulations, a series of
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Published 27 May 2014

Large-scale atomistic and quantum-mechanical simulations of a Nafion membrane: Morphology, proton solvation and charge transport

  • Pavel V. Komarov,
  • Pavel G. Khalatur and
  • Alexei R. Khokhlov

Beilstein J. Nanotechnol. 2013, 4, 567–587, doi:10.3762/bjnano.4.65

Graphical Abstract
  • to increase the size of simulated systems and use rather complex variants of DFT. We used a recently modified version of the code CP2K/Quickstep [85], which is a numerical implementation of the Gaussian and plane waves (GPW) method [90] based on the Kohn–Sham formulation of DFT. The electronic charge
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Published 26 Sep 2013

Towards 4-dimensional atomic force spectroscopy using the spectral inversion method

  • Jeffrey C. Williams and
  • Santiago D. Solares

Beilstein J. Nanotechnol. 2013, 4, 87–93, doi:10.3762/bjnano.4.10

Graphical Abstract
  • consists of (i) defining the system parameters (cantilever eigenfrequencies, force constants and quality factors, free flexural amplitude and amplitude setpoint, tip–sample force model, etc.); (ii) numerical implementation of the amplitude-modulation imaging scheme; (iii) recording of the flexural and
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Published 07 Feb 2013

Analysis of force-deconvolution methods in frequency-modulation atomic force microscopy

  • Joachim Welker,
  • Esther Illek and
  • Franz J. Giessibl

Beilstein J. Nanotechnol. 2012, 3, 238–248, doi:10.3762/bjnano.3.27

Graphical Abstract
  • Sader–Jarvis method. However, the matrix method generally provides the higher deconvolution quality. Keywords: frequency-modulation atomic force microscopy; force deconvolution; numerical implementation; Introduction The atomic force microscope (AFM) was invented 25 years ago as an offspring of the
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Published 14 Mar 2012

Modeling noncontact atomic force microscopy resolution on corrugated surfaces

  • Kristen M. Burson,
  • Mahito Yamamoto and
  • William G. Cullen

Beilstein J. Nanotechnol. 2012, 3, 230–237, doi:10.3762/bjnano.3.26

Graphical Abstract
  • ) is equivalent to choosing (C1, ρs), according to Equation 7. Thus, in our numerical implementation we choose values for w0 and h0. As a first check on our substrate by numerical integration, we compare the numerical integration of Equation 2 with the analytical result in Equation 6. In this case the
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Published 13 Mar 2012
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