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Search for "modelling" in Full Text gives 179 result(s) in Beilstein Journal of Nanotechnology.

Coherent amplification of radiation from two phase-locked Josephson junction arrays

  • Mikhail A. Galin,
  • Vladimir M. Krasnov,
  • Ilya A. Shereshevsky,
  • Nadezhda K. Vdovicheva and
  • Vladislav V. Kurin

Beilstein J. Nanotechnol. 2022, 13, 1445–1457, doi:10.3762/bjnano.13.119

Graphical Abstract
  • , but also improved synchronization of junctions inside each array. Our conclusion is supported by numerical modelling. Keywords: coherent radiation; Josephson junction arrays; numerical modelling; single-strip line; synchronization; Introduction A Josephson junction (JJ) has the unique ability to
  • a complex phenomenon, which cannot be reduced to a simple constructive interference of two independent sources. For a better understanding of the phase locking dynamics, we perform numerical modelling. Figure 6a demonstrates the general view of the considered model for on-chip synchronization. It
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Published 06 Dec 2022

Orally administered docetaxel-loaded chitosan-decorated cationic PLGA nanoparticles for intestinal tumors: formulation, comprehensive in vitro characterization, and release kinetics

  • Sedat Ünal,
  • Osman Doğan and
  • Yeşim Aktaş

Beilstein J. Nanotechnol. 2022, 13, 1393–1407, doi:10.3762/bjnano.13.115

Graphical Abstract
  • interpretation of release behavior. These quantitative evaluations help to accelerate the drug development processes by estimating the in vivo performance of formulations. The results of the release kinetics modelling studies are presented in Table 3 and Figure 5. In Figure 5, DCX release curves and the curves
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Published 23 Nov 2022

Laser-processed antiadhesive bionic combs for handling nanofibers inspired by nanostructures on the legs of cribellate spiders

  • Sebastian Lifka,
  • Kristóf Harsányi,
  • Erich Baumgartner,
  • Lukas Pichler,
  • Dariya Baiko,
  • Karsten Wasmuth,
  • Johannes Heitz,
  • Marco Meyer,
  • Anna-Christin Joel,
  • Jörn Bonse and
  • Werner Baumgartner

Beilstein J. Nanotechnol. 2022, 13, 1268–1283, doi:10.3762/bjnano.13.105

Graphical Abstract
  • surface structure, in contrast to earlier published works where solids with plane surfaces were assumed [24][25][26][27][28]. This is an important difference, which has to be considered when modelling the interaction of nanofibers with, in this case, a sinusoidal surface. Laser-induced periodic surface
  • new way for technologically improving the production of tools for handling of artificial nanofibers. This can facilitate and optimize the production of, for example, filter materials and nanofabrics. Results and Discussion Theoretical modelling The general model is depicted in Figure 2. The course of
  • detachment x0 is used as a parameter to characterize the system. A longitudinal force S can stretch the fiber. For theoretical modelling, a single unit is cut free (b) and the action of the fiber at x > λ is replaced by the yet unknown vertical force F. This is the force required to reach a value of zero for
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Published 07 Nov 2022

Role of titanium and organic precursors in molecular layer deposition of “titanicone” hybrid materials

  • Arbresha Muriqi and
  • Michael Nolan

Beilstein J. Nanotechnol. 2022, 13, 1240–1255, doi:10.3762/bjnano.13.103

Graphical Abstract
  • TiCl4 pulse As oxide/metalcone films are of high interest, we explored the feasibility of anatase TiO2/titanicone, rutile TiO2/titanicone and Al2O3/titanicone film formation. This is a common approach in modelling MLD chemistry [24][39][40][41]. We performed fundamental investigation on the interactions
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Published 02 Nov 2022

Microneedle-based ocular drug delivery systems – recent advances and challenges

  • Piotr Gadziński,
  • Anna Froelich,
  • Monika Wojtyłko,
  • Antoni Białek,
  • Julia Krysztofiak and
  • Tomasz Osmałek

Beilstein J. Nanotechnol. 2022, 13, 1167–1184, doi:10.3762/bjnano.13.98

Graphical Abstract
  • , the substrate, absorbing the laser beam, heats up and evaporates or sublimes, which yields engraved 3D patterns [150]. In the fused deposition modelling (FDM) method, the thermoplastic material is heated to its softening point, then extruded through a nozzle and applied layer by layer to the build
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Published 24 Oct 2022

Biomimetic chitosan with biocomposite nanomaterials for bone tissue repair and regeneration

  • Se-Kwon Kim,
  • Sesha Subramanian Murugan,
  • Pandurang Appana Dalavi,
  • Sebanti Gupta,
  • Sukumaran Anil,
  • Gi Hun Seong and
  • Jayachandran Venkatesan

Beilstein J. Nanotechnol. 2022, 13, 1051–1067, doi:10.3762/bjnano.13.92

Graphical Abstract
  • modelling and clinical imaging of the scaffolds will assist in the establishment of its micro- and nanoarchitecture, which will aid in the regulation and activation of the immune system for bone tissue repair and regeneration. Conclusion Chitosan is a naturally occurring biopolymer with appropriate
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Published 29 Sep 2022

Influence of water contamination on the sputtering of silicon with low-energy argon ions investigated by molecular dynamics simulations

  • Grégoire R. N. Defoort-Levkov,
  • Alan Bahm and
  • Patrick Philipp

Beilstein J. Nanotechnol. 2022, 13, 986–1003, doi:10.3762/bjnano.13.86

Graphical Abstract
  • the NVE ensemble in order to avoid any impact of a thermostat on the collision cascade. Once properly equilibrated, the simulation of argon bombardment of pristine Si(100) was run for 50 ps, which was enough for the modelling of energy dissipation and sputtering, and then thermalized to 300 K. The
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Published 21 Sep 2022

Interaction between honeybee mandibles and propolis

  • Leonie Saccardi,
  • Franz Brümmer,
  • Jonas Schiebl,
  • Oliver Schwarz,
  • Alexander Kovalev and
  • Stanislav Gorb

Beilstein J. Nanotechnol. 2022, 13, 958–974, doi:10.3762/bjnano.13.84

Graphical Abstract
  • ][6]. The mandibles of the bee are instrumental in processing propolis, but they are also used for other tasks such as biting through cell caps and modelling wax [7]. The mandibles, sometimes also called jaws, are situated laterally on the lower part of the bee’s head (see Figure 3) and operate
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Published 14 Sep 2022

Comparing the performance of single and multifrequency Kelvin probe force microscopy techniques in air and water

  • Jason I. Kilpatrick,
  • Emrullah Kargin and
  • Brian J. Rodriguez

Beilstein J. Nanotechnol. 2022, 13, 922–943, doi:10.3762/bjnano.13.82

Graphical Abstract
  • environments by Collins et al. [81]. This technique exhibits a similar cantilever capacitive contribution to VCPD as AM-KPFM and is only quantitative if the relative gain of the two measured frequencies is known either through an additional measurement or through modelling [29]. Since the electrostatic
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Published 12 Sep 2022

Comparative molecular dynamics simulations of thermal conductivities of aqueous and hydrocarbon nanofluids

  • Adil Loya,
  • Antash Najib,
  • Fahad Aziz,
  • Asif Khan,
  • Guogang Ren and
  • Kun Luo

Beilstein J. Nanotechnol. 2022, 13, 620–628, doi:10.3762/bjnano.13.54

Graphical Abstract
  • study was carried out with different shapes (i.e., cylinder, platelet, and sphere) of nanoparticles (Cu/Al2O3 with ethylene glycol as the base fluid) using the finite element method (FEM) in MAPLE 18.0. For mathematical modelling and simulation of hybrid nanofluids, Shah et al. [33] considered a two
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Published 07 Jul 2022

Quantitative dynamic force microscopy with inclined tip oscillation

  • Philipp Rahe,
  • Daniel Heile,
  • Reinhard Olbrich and
  • Michael Reichling

Beilstein J. Nanotechnol. 2022, 13, 610–619, doi:10.3762/bjnano.13.53

Graphical Abstract
  • stabilised sensor oscillation amplitude A. A sophisticated analysis of the Δf(zp) curves measured with different oscillation amplitudes A yields a precise result [2] for the force curve, yet with an arbitrary origin along the z-axis. In theoretical modelling and analysis of tip–sample interactions, it has
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Published 06 Jul 2022

Investigation of electron-induced cross-linking of self-assembled monolayers by scanning tunneling microscopy

  • Patrick Stohmann,
  • Sascha Koch,
  • Yang Yang,
  • Christopher David Kaiser,
  • Julian Ehrens,
  • Jürgen Schnack,
  • Niklas Biere,
  • Dario Anselmetti,
  • Armin Gölzhäuser and
  • Xianghui Zhang

Beilstein J. Nanotechnol. 2022, 13, 462–471, doi:10.3762/bjnano.13.39

Graphical Abstract
  • molecular dynamics. The LAMMPS package was employed and the EDIP as well as AIREBO carbon potentials were used depending on more technical simulation-specific parameters. As reported in the reference [71], the simulations included only carbon atoms. The modelling was achieved through the following steps: (1
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Published 25 May 2022

Controllable two- and three-state magnetization switching in single-layer epitaxial Pd1−xFex films and an epitaxial Pd0.92Fe0.08/Ag/Pd0.96Fe0.04 heterostructure

  • Igor V. Yanilkin,
  • Amir I. Gumarov,
  • Gulnaz F. Gizzatullina,
  • Roman V. Yusupov and
  • Lenar R. Tagirov

Beilstein J. Nanotechnol. 2022, 13, 334–343, doi:10.3762/bjnano.13.28

Graphical Abstract
  • on the applied magnetic field for (a) φΗ = 6°, θΗ = 90° and (c) φΗ = 0°, θΗ = 7°; points: experimental data, lines: results of the modelling with Equation 2 and Equation 3. (b) Rotation of the magnetic moment of the film (within the same model) for φΗ = 6°, θΗ = 90°; the vectors show the direction of
  • K; points: experimental data, lines: results of the modelling with Equation 2 and Equation 3. (b) Rotation (within the model) of the magnetic moment of the film with a step of 20 Oe for φH = 90.5° under the field variation from +500 Oe to −500 Oe; insert: the geometry of the experiment. (c
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Published 30 Mar 2022

Effect of lubricants on the rotational transmission between solid-state gears

  • Huang-Hsiang Lin,
  • Jonathan Heinze,
  • Alexander Croy,
  • Rafael Gutiérrez and
  • Gianaurelio Cuniberti

Beilstein J. Nanotechnol. 2022, 13, 54–62, doi:10.3762/bjnano.13.3

Graphical Abstract
  • multiscale simulation involving continuum modelling in combination with MD simulations would be helpful to connect the atomistic description with macroscopic behavior, for example, as given by the Stribeck curve [5]. A substrate can also provide significant friction due to electron or phonon excitations [65
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Published 05 Jan 2022

Design aspects of Bi2Sr2CaCu2O8+δ THz sources: optimization of thermal and radiative properties

  • Mikhail M. Krasnov,
  • Natalia D. Novikova,
  • Roger Cattaneo,
  • Alexey A. Kalenyuk and
  • Vladimir M. Krasnov

Beilstein J. Nanotechnol. 2021, 12, 1392–1403, doi:10.3762/bjnano.12.103

Graphical Abstract
  • junctions; numerical modelling; terahertz sources; Introduction Tunable, monochromatic, continuous-wave (CW), compact, and power-efficient terahertz (THz) sources of electromagnetic waves (EMW) are required for a broad variety of applications [1]. However, the key obstacle, colloquially known as “the THz
  • -heating background. This indicates a much larger RPE in whisker-based devices [40]. Numerical Results To understand the reported difference between crystal- and whisker-based devices and to suggest possible optimizations of THz sources, we performed numerical modelling using the 3D finite element software
  • the radiative power. Their goal is to reveal general trends and geometrical factors contributing to design aspects of Bi-2212 THz sources. Modelling of heat transfer Accurate analysis of self-heating in Bi-2212 mesas is a complex non-linear problem [28][30][31][32][36][38]. Simulations presented below
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Published 21 Dec 2021

Identifying diverse metal oxide nanomaterials with lethal effects on embryonic zebrafish using machine learning

  • Richard Liam Marchese Robinson,
  • Haralambos Sarimveis,
  • Philip Doganis,
  • Xiaodong Jia,
  • Marianna Kotzabasaki,
  • Christiana Gousiadou,
  • Stacey Lynn Harper and
  • Terry Wilkins

Beilstein J. Nanotechnol. 2021, 12, 1297–1325, doi:10.3762/bjnano.12.97

Graphical Abstract
  • hours post-fertilisation, at concentrations of 250 ppm or less. Models were developed using data from the Nanomaterial Biological-Interactions Knowledgebase for a dataset of 44 diverse, coated and uncoated metal or, in one case, metalloid oxide nanomaterials. Different modelling approaches were
  • these modelling results are on truly external data, which were not used to select the single descriptor model. This will require further laboratory work to generate comparable data to those studied herein. Keywords: data augmentation; embryonic zebrafish; machine learning; nanosafety; nano-QSAR
  • University), with minimal, clearly documented, variations in experimental conditions, and were linked to comparable physicochemical characterisation data. However, the first published modelling studies of NBI Knowledgebase data treated the characterisation data, used as input to predictive models, in a
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Published 29 Nov 2021

Irradiation-driven molecular dynamics simulation of the FEBID process for Pt(PF3)4

  • Alexey Prosvetov,
  • Alexey V. Verkhovtsev,
  • Gennady Sushko and
  • Andrey V. Solov’yov

Beilstein J. Nanotechnol. 2021, 12, 1151–1172, doi:10.3762/bjnano.12.86

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Published 13 Oct 2021

Assessment of the optical and electrical properties of light-emitting diodes containing carbon-based nanostructures and plasmonic nanoparticles: a review

  • Keshav Nagpal,
  • Erwan Rauwel,
  • Frédérique Ducroquet and
  • Protima Rauwel

Beilstein J. Nanotechnol. 2021, 12, 1078–1092, doi:10.3762/bjnano.12.80

Graphical Abstract
  • on ITO glass. The inset shows the TEM image of AuNP with a particle size of 20 nm. (c) The electromagnetic field distribution around AuNP with 20 nm diameter simulated by finite-difference time-domain modelling. Figure 6a–c was adapted from [51] (© 2018 J. Feng et al., distributed under the terms of
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Published 24 Sep 2021

Prediction of Co and Ru nanocluster morphology on 2D MoS2 from interaction energies

  • Cara-Lena Nies and
  • Michael Nolan

Beilstein J. Nanotechnol. 2021, 12, 704–724, doi:10.3762/bjnano.12.56

Graphical Abstract
  • metal and 2D materials [9][10][21][26], first principles modelling is a powerful tool that permits the investigation of the detailed interactions of metals and 2D materials at the atomic scale. In particular, understanding the nucleation of metals on 2D materials will be valuable for the design of
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Published 14 Jul 2021

Determining amplitude and tilt of a lateral force microscopy sensor

  • Oliver Gretz,
  • Alfred J. Weymouth,
  • Thomas Holzmann,
  • Korbinian Pürckhauer and
  • Franz J. Giessibl

Beilstein J. Nanotechnol. 2021, 12, 517–524, doi:10.3762/bjnano.12.42

Graphical Abstract
  • ]. Comparing the effect of tilt on normal versus lateral force microscopy In addition to the amplitude, the tilt θ of a LFM sensor is of great importance. Usually, θ is ignored in normal AFM experiments because it has a smaller effect on the observed values of Δf. This can be seen by modelling ⟨kts⟩ of a
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Published 01 Jun 2021

Intracranial recording in patients with aphasia using nanomaterial-based flexible electronics: promises and challenges

  • Qingchun Wang and
  • Wai Ting Siok

Beilstein J. Nanotechnol. 2021, 12, 330–342, doi:10.3762/bjnano.12.27

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  • characteristics of signals. Indeed, in recent years, the modular view of brain functions has fallen out of favour, and researchers generally believe that various brain regions function simultaneously and interactively. New analysis methods, such as functional connectivity and dynamic causal modelling, have been
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Published 08 Apr 2021

The patterning toolbox FIB-o-mat: Exploiting the full potential of focused helium ions for nanofabrication

  • Victor Deinhart,
  • Lisa-Marie Kern,
  • Jan N. Kirchhof,
  • Sabrina Juergensen,
  • Joris Sturm,
  • Enno Krauss,
  • Thorsten Feichtner,
  • Sviatoslav Kovalchuk,
  • Michael Schneider,
  • Dieter Engel,
  • Bastian Pfau,
  • Bert Hecht,
  • Kirill I. Bolotin,
  • Stephanie Reich and
  • Katja Höflich

Beilstein J. Nanotechnol. 2021, 12, 304–318, doi:10.3762/bjnano.12.25

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Published 06 Apr 2021

Scanning transmission helium ion microscopy on carbon nanomembranes

  • Daniel Emmrich,
  • Annalena Wolff,
  • Nikolaus Meyerbröker,
  • Jörg K. N. Lindner,
  • André Beyer and
  • Armin Gölzhäuser

Beilstein J. Nanotechnol. 2021, 12, 222–231, doi:10.3762/bjnano.12.18

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  • areas of freestanding CNM. Intensity profiles across a feature (a rupture and a fold) show that the portion of direct SE from the CNM is negligible for the STIM analysis (Figure 2c). Monte Carlo simulations and signal/contrast modelling In order to understand the physics behind the STIM signal, the
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Published 26 Feb 2021

Atomic defect classification of the H–Si(100) surface through multi-mode scanning probe microscopy

  • Jeremiah Croshaw,
  • Thomas Dienel,
  • Taleana Huff and
  • Robert Wolkow

Beilstein J. Nanotechnol. 2020, 11, 1346–1360, doi:10.3762/bjnano.11.119

Graphical Abstract
  • bare and H-terminated surface) while both the bare dimer and single DB have an additional covalent interaction with the tip that is not seen above H–Si atoms. Complementary modelling of the DB defect and all subsequent defects of Figure 2 as imaged with STHM, H-apex AFM, and Si-apex AFM has been done
  • exploration is required to support this. A potential variation of the vacancy where one of the backbonded DBs is terminated with an H is presented in Supporting Information File 1, Figure S13 and the probe particle modelling of the Si vacancy “I” variety shown in Figure S14. Figure 4e–h shows another variant
  • above the defect in 4t show a reduced minimum, as well as a horizontal shift in position towards the defect centre due to a polaronic distortion induced by the vacancy’s localized negative charge. Molecular dynamics relaxation was unable to capture this effect as part of the modelling, so the ball and
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Published 07 Sep 2020

Magnetohydrodynamic stagnation point on a Casson nanofluid flow over a radially stretching sheet

  • Ganji Narender,
  • Kamatam Govardhan and
  • Gobburu Sreedhar Sarma

Beilstein J. Nanotechnol. 2020, 11, 1303–1315, doi:10.3762/bjnano.11.114

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  • using Casson nanofluids has been presented. The governing partial differential equations (PDEs) have been converted to a set of ordinary differential equations (ODEs) through suitable similarity transformations and the numerical solution has been derived by the shooting method. Mathematical Modelling
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Published 02 Sep 2020
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