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Search for "modeling" in Full Text gives 278 result(s) in Beilstein Journal of Nanotechnology. Showing first 200.

Thickness dependence of the triplet spin-valve effect in superconductor–ferromagnet–ferromagnet heterostructures

  • Daniel Lenk,
  • Vladimir I. Zdravkov,
  • Jan-Michael Kehrle,
  • Günter Obermeier,
  • Aladin Ullrich,
  • Roman Morari,
  • Hans-Albrecht Krug von Nidda,
  • Claus Müller,
  • Mikhail Yu. Kupriyanov,
  • Anatolie S. Sidorenko,
  • Siegfried Horn,
  • Rafael G. Deminov,
  • Lenar R. Tagirov and
  • Reinhard Tidecks

Beilstein J. Nanotechnol. 2016, 7, 957–969, doi:10.3762/bjnano.7.88

Graphical Abstract
  • films. As 1 eV = kB·11604 K and TcS = 7.7 K, we get hF1 = EEx,CuNi/(πkBTcS) = 7.0. For Co EEx,Co = 0.93–1.05 eV according to [78]. Taking EEx,Co = 1.0 eV we get hF2 = EEx,Co/(πkBTcS) = 480. Furthermore, we used the following proximity strength parameters as modeling parameters: γF1,S = 0.2, γN,F1 = 1.0
  • a detailed discussion of the material and modeling parameters used for the theoretical calculations, see the Appendix. Maximum reduction of the transition temperature, ΔTc,max by the triplet SSV effect at crossed configuration of the magnetic moments of the two ferromagnetic layers as a function of
  • ξF1 = 10.3 nm for the magnetic coherence length in the F1 layer (Cu41Ni59 layer) to plot the data as a function of the reduced thickness dF1/ξF1. For a detailed discussion of the material and modeling parameters used for the theoretical calculations, see the Appendix. Layer thicknesses of several
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Published 04 Jul 2016

Noncontact atomic force microscopy III

  • Mehmet Z. Baykara and
  • Udo D. Schwarz

Beilstein J. Nanotechnol. 2016, 7, 946–947, doi:10.3762/bjnano.7.86

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  • resonators for NC-AFM operation in air. In addition, the ever increasing importance of simulations for dynamic AFM experiments is underlined via two contributions focusing on three-dimensional viscoelastic modeling as well as “sub-atomic” contrast formation on the prototypical Si(111)-7×7 surface. To
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Editorial
Published 30 Jun 2016

Coupled molecular and cantilever dynamics model for frequency-modulated atomic force microscopy

  • Michael Klocke and
  • Dietrich E. Wolf

Beilstein J. Nanotechnol. 2016, 7, 708–720, doi:10.3762/bjnano.7.63

Graphical Abstract
  • parameters and procedures. These virtual AFMs provide a link between a known surface–tip interaction and the resulting images [10][11][12][13]. A simplified version of this modeling approach are phenomenological point-mass models of the tip. Their purpose is to clarify basic effects, such as the alternating
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Published 17 May 2016

Hierarchical coassembly of DNA–triptycene hybrid molecular building blocks and zinc protoporphyrin IX

  • Rina Kumari,
  • Sumit Singh,
  • Mohan Monisha,
  • Sourav Bhowmick,
  • Anindya Roy,
  • Neeladri Das and
  • Prolay Das

Beilstein J. Nanotechnol. 2016, 7, 697–707, doi:10.3762/bjnano.7.62

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  • . The presence of Zn PpIX helps in the alignment of the nanofibers (Figure 4 and Supporting Information File 1, Figure S13).The nanofibers have a width of 9–15 nm, which correlates well with calculations from modeling methods.The interaction of Zn PpIX with DNA by outside stacking along the helix
  • -assembly process leads to the formation of an ill network (Supporting Information File 1, Figure S12). This is attributed to hybridization defects that disturb the periodicity. Modeling studies The newly assembled DNA–TPA nanostructures were further formulated through computational analysis where the
  • , Schrödinger, LLC, New York, NY, 2014). Thus, using an in silico modeling approach, we have generated a three-dimensional structure of TPA conjugated DNA, which was further used to calculate the parameters such as surface area and volume of the structure. The total surface area and the volume of this
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Published 12 May 2016

Correlative infrared nanospectroscopic and nanomechanical imaging of block copolymer microdomains

  • Benjamin Pollard and
  • Markus B. Raschke

Beilstein J. Nanotechnol. 2016, 7, 605–612, doi:10.3762/bjnano.7.53

Graphical Abstract
  • sample [29][30]. Modeling the formation, evolution, and breaking of the tip–sample water menisci in order to understand the effect on the tapping phase is still a focus of active research [31]. We measure an overall adhesion (Figure 3f) of 0.4 nN on PMMA, and 0.7 nN on PS. We also observe finer structure
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Published 22 Apr 2016
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  • AFM simulation. A multifrequency AFM simulation tool based on the above sample model is provided as supporting information. Keywords: atomic force microscopy; modeling; polymers; simulation; spectroscopy; standard linear solid; surface elasticity; surface energy; viscoelasticity; Introduction The
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Published 15 Apr 2016

Free vibration of functionally graded carbon-nanotube-reinforced composite plates with cutout

  • Mostafa Mirzaei and
  • Yaser Kiani

Beilstein J. Nanotechnol. 2016, 7, 511–523, doi:10.3762/bjnano.7.45

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  • (CNTRCs) may be achieved with a nonuniform distribution of CNTs through the media. This type of reinforced composite media is known as functionally graded carbon-nanotube-reinforced composite (FG-CNTRC). An overview on the properties, modeling and characteristics of FG-CNTRC beams, plates and shells is
  • fraction and distribution pattern of CNTs, plate boundary conditions and hole size. Modeling Basic formulation A rectangular-shaped plate, made of a polymeric matrix, reinforced by CNTs whose distribution may be nonuniform, is considered in the present research. The plate contains a centered hole, which is
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Published 07 Apr 2016

Contact-free experimental determination of the static flexural spring constant of cantilever sensors using a microfluidic force tool

  • John D. Parkin and
  • Georg Hähner

Beilstein J. Nanotechnol. 2016, 7, 492–500, doi:10.3762/bjnano.7.43

Graphical Abstract
  • potentially simplify the calculation of β. No simulation of the forces will be required if the total force depends on the plan view area and the fluid speed only, in which case forces can be predicted without any modeling. This is currently under investigation. We note that in the current setup, the k values
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Published 30 Mar 2016

Early breast cancer screening using iron/iron oxide-based nanoplatforms with sub-femtomolar limits of detection

  • Dinusha N. Udukala,
  • Hongwang Wang,
  • Sebastian O. Wendel,
  • Aruni P. Malalasekera,
  • Thilani N. Samarakoon,
  • Asanka S. Yapa,
  • Gayani Abayaweera,
  • Matthew T. Basel,
  • Pamela Maynez,
  • Raquel Ortega,
  • Yubisela Toledo,
  • Leonie Bossmann,
  • Colette Robinson,
  • Katharine E. Janik,
  • Olga B. Koper,
  • Ping Li,
  • Massoud Motamedi,
  • Daniel A. Higgins,
  • Gary Gadbury,
  • Gaohong Zhu,
  • Deryl L. Troyer and
  • Stefan H. Bossmann

Beilstein J. Nanotechnol. 2016, 7, 364–373, doi:10.3762/bjnano.7.33

Graphical Abstract
  • (phosphate buffered saline, pH 7.4). The average Fe(0) core diameter is 13 ± 0.5 nm, the Fe3O4 shell thickness is 2.0 ± 0.5 nm (Figure 3). Using statistical modeling, the optimal number of TCPP units per nanoparticle was determined to be 35 ± 3, and the number of cyanine 5.5 units to be 50 ± 4 [31]. We have
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Published 07 Mar 2016

Molecular machines operating on the nanoscale: from classical to quantum

  • Igor Goychuk

Beilstein J. Nanotechnol. 2016, 7, 328–350, doi:10.3762/bjnano.7.31

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Published 03 Mar 2016

High-bandwidth multimode self-sensing in bimodal atomic force microscopy

  • Michael G. Ruppert and
  • S. O. Reza Moheimani

Beilstein J. Nanotechnol. 2016, 7, 284–295, doi:10.3762/bjnano.7.26

Graphical Abstract
  • to strain sensitivity. The applicability of the multimodal self-sensing principle is verified by bimodal AFM experiments to obtain qualitative phase contrast on the higher eigenmode when imaging a soft polymer blend. Modeling Piezoelectric constitutive laws By sputtering a piezoelectric layer to the
  • into account varying cross-sections but system identification based on parameter optimization must be employed to reduce modeling errors [26]. In order to arrive at a system-based model and to use frequency domain system identification, a damping term is added to Equation 13 and taking the Laplace
  • at the respective mode. System identification The AFM cantilever used in this work is a piezoelectric self-actuated silicon microcantilever described in section Modeling. Compared to a standard base excited cantilever whose frequency response is shown in Figure 6a, the piezoelectric cantilever has
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Published 24 Feb 2016

Nanoinformatics for environmental health and biomedicine

  • Rong Liu and
  • Yoram Cohen

Beilstein J. Nanotechnol. 2015, 6, 2449–2451, doi:10.3762/bjnano.6.253

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  • properties, toxicity behavior, processing information, production levels, environmental releases, and more. Accordingly advanced informatics techniques are urgently required for the collection and curation, management (e.g., achieving and sharing), analysis and modeling of the large amount of data involved
  • implementing effective mechanisms for collecting, validating, storing, sharing, analyzing, modeling, and applying that information.” [1]. At present, nanoinformatics focuses primarily on: nano-data management and database development, nano-data curation, assessment of the value of information in nano-data
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Editorial
Published 21 Dec 2015

Nanoscale rippling on polymer surfaces induced by AFM manipulation

  • Mario D’Acunto,
  • Franco Dinelli and
  • Pasqualantonio Pingue

Beilstein J. Nanotechnol. 2015, 6, 2278–2289, doi:10.3762/bjnano.6.234

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  • particular it can be exploited in order to pattern films for nanotechnology applications. The review is organized in three sections. The first one is dedicated to the most relevant observations reported in the literature. The second one deals with the theoretical modeling developed in order to interpret this
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Review
Published 02 Dec 2015

Core-level spectra and molecular deformation in adsorption: V-shaped pentacene on Al(001)

  • Anu Baby,
  • He Lin,
  • Gian Paolo Brivio,
  • Luca Floreano and
  • Guido Fratesi

Beilstein J. Nanotechnol. 2015, 6, 2242–2251, doi:10.3762/bjnano.6.230

Graphical Abstract
  • coordinates of pentacene deposited on only one side of the slab as well as the first layer of Al atoms were optimized as presented in Baby et al. [15] and are shown in Figure 1 for selected configurations (B and T sites). Modeling of the adsorption behavior of pentacene on the reconstructed Al surface has not
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Published 27 Nov 2015

A simple and efficient quasi 3-dimensional viscoelastic model and software for simulation of tapping-mode atomic force microscopy

  • Santiago D. Solares

Beilstein J. Nanotechnol. 2015, 6, 2233–2241, doi:10.3762/bjnano.6.229

Graphical Abstract
  • modified to implement other controls schemes in order to aid in the interpretation of AFM experiments. Keywords: atomic force microscopy (AFM); modeling; multifrequency; multimodal; polymers; simulation; spectroscopy; standard linear solid; tapping-mode AFM; viscoelasticity; Introduction The
  • –dissipative models within a simulation framework, in order to properly interpret the results. If the highest accuracy is desired in AFM modeling, it is necessary to advance towards a model in which the various types of tip–sample interactions can be incorporated and tuned independently: long-range attractive
  • tip geometries. These limitations can be partially mitigated by adding additional viscous and elastic elements between adjacent surface locations, although these would come with an added computational cost. Experimental Cantilever dynamics modeling The dynamics of the AFM cantilever were modeled as in
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Published 26 Nov 2015

Electroviscous effect on fluid drag in a microchannel with large zeta potential

  • Dalei Jing and
  • Bharat Bhushan

Beilstein J. Nanotechnol. 2015, 6, 2207–2216, doi:10.3762/bjnano.6.226

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  • interface. The fluid flow is assumed to be 1:1 symmetric electrolyte in the laminar state, and only the fully developed flow is studied. Figure 1 also shows the coordinate system used in the modeling. Electrical potential and ion distribution Under the above assumptions, the governing equations used to
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Published 24 Nov 2015

High Ion/Ioff current ratio graphene field effect transistor: the role of line defect

  • Mohammad Hadi Tajarrod and
  • Hassan Rasooli Saghai

Beilstein J. Nanotechnol. 2015, 6, 2062–2068, doi:10.3762/bjnano.6.210

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  • in the atomic scale simulation. In the general context of nano-transistor modeling, the retarded Green's function of the channel in between the right and left contacts, which can be evaluated as follows [22]: where HT is the tight-binding Hamiltonian matrix of the GNR channel, which can be evaluated
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Published 23 Oct 2015

Magnetic reversal dynamics of a quantum system on a picosecond timescale

  • Nikolay V. Klenov,
  • Alexey V. Kuznetsov,
  • Igor I. Soloviev,
  • Sergey V. Bakurskiy and
  • Olga V. Tikhonova

Beilstein J. Nanotechnol. 2015, 6, 1946–1956, doi:10.3762/bjnano.6.199

Graphical Abstract
  • ][27]. However, in our case, the problem is solved for a simple two-level system suitable for modeling the behavior of not only the superconducting flux qubits, but the atomic systems, including promising molecular magnetic memory cells, atom-like spins in semiconductors, magnetic cluster inclusion in
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Published 28 Sep 2015

Predicting cytotoxicity of PAMAM dendrimers using molecular descriptors

  • David E. Jones,
  • Hamidreza Ghandehari and
  • Julio C. Facelli

Beilstein J. Nanotechnol. 2015, 6, 1886–1896, doi:10.3762/bjnano.6.192

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  • techniques in this field. For instance, Liu et al. analyzed a number of attributes of a variety of nanoparticles in order to predict the 24 hour postfertilization mortality in zebrafish [3]. Horev-Azaria and colleagues used predictive modeling to explore the effect of cobalt–ferrite nanoparticles on the
  • classifiers: naive Bayes, sequential minimal optimization (SMO), J48, bagging, classification via regression, filtered classifier, LWL, decision table, decision table/naive Bayes (DTNB), NBTree, and random forest. We wanted to explore many modeling methods to provide a wide landscape of available techniques
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Published 11 Sep 2015

Focused particle beam-induced processing

  • Michael Huth and
  • Armin Gölzhäuser

Beilstein J. Nanotechnol. 2015, 6, 1883–1885, doi:10.3762/bjnano.6.191

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  • -deposition modeling or higher-resolution variants with lasers applicable to polymers and metals, one may wonder whether an analogous approach exists on the nanometer scale. Indeed it does. With the aid of focused particle beam-induced deposition (FPBID) it is possible to create solid-state structures on the
  • dissociation channels at play in FEBID are reviewed in the article by Rachel Thormann and coworkers [1]. FEBID-specific continuum modeling approaches are elucidated in a review article by Milos Toth and collaborators [2]. An aspect thus far not considered in electron beam-induced growth is the role of surface
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Published 09 Sep 2015

Nanocuration workflows: Establishing best practices for identifying, inputting, and sharing data to inform decisions on nanomaterials

  • Christina M. Powers,
  • Karmann A. Mills,
  • Stephanie A. Morris,
  • Fred Klaessig,
  • Sharon Gaheen,
  • Nastassja Lewinski and
  • Christine Ogilvie Hendren

Beilstein J. Nanotechnol. 2015, 6, 1860–1871, doi:10.3762/bjnano.6.189

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  • consistent across datasets and resources). The use of the nano-OM in caNanoLab supports queries on publications, protocols, nanomaterials and associated compositions and characterizations. These data can be used by modeling and simulation tools to discover data patterns that guide decisions on new biomedical
  • bioinformatics, the general nanotechnology public, and Center investigators), and function (modeling for repeatable experimentation, accessing nanomaterial sources, exploratory research requiring coordination among disciplines). For each, “high quality” means fit-for-purpose and thus the curation workflow is
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Published 04 Sep 2015

Large-voltage behavior of charge transport characteristics in nanosystems with weak electron–vibration coupling

  • Tomáš Novotný and
  • Wolfgang Belzig

Beilstein J. Nanotechnol. 2015, 6, 1853–1859, doi:10.3762/bjnano.6.188

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  • applied successfully to single-molecule junctions and provides directly their vibrational frequencies from the position of IETS signals [4][7] and, indirectly from the IETS features such as heights of the peaks, also information about electronic and structural properties [8][9]. Theoretical modeling of
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Published 03 Sep 2015

NanoE-Tox: New and in-depth database concerning ecotoxicity of nanomaterials

  • Katre Juganson,
  • Angela Ivask,
  • Irina Blinova,
  • Monika Mortimer and
  • Anne Kahru

Beilstein J. Nanotechnol. 2015, 6, 1788–1804, doi:10.3762/bjnano.6.183

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  • -chemical properties, testing conditions and, to some extent, also on mechanisms of toxic action. Hence, NanoE-Tox enables the comparison of toxicity of ENMs across different test species and, in addition, could provide valuable input for computational toxicity modeling (e.g., QSARs) and risk assessment
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Published 25 Aug 2015

The Nanomaterial Data Curation Initiative: A collaborative approach to assessing, evaluating, and advancing the state of the field

  • Christine Ogilvie Hendren,
  • Christina M. Powers,
  • Mark D. Hoover and
  • Stacey L. Harper

Beilstein J. Nanotechnol. 2015, 6, 1752–1762, doi:10.3762/bjnano.6.179

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  • science and engineering community, and then developing and implementing effective mechanisms for collecting, validating, storing, sharing, analyzing, modeling, and applying the information, and then confirming that appropriate decisions were made and that desired mission outcomes were achieved,[…]” with
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Published 18 Aug 2015

A simple method for the determination of qPlus sensor spring constants

  • John Melcher,
  • Julian Stirling and
  • Gordon A. Shaw

Beilstein J. Nanotechnol. 2015, 6, 1733–1742, doi:10.3762/bjnano.6.177

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  • second tine is immobilized [7][8]. If the tines are well balanced, the former benefits from high quality factors due to low inertial coupling with the stage. The later simplifies the modeling and calibration effort for quantitative force measurements [9]. With careful design and experimentation it is
  • tip–sample interaction potential. The effect of the tip height and resulting parasitic tip rotation are carefully considered in terms of the error in the reconstructed tip–sample force. Modeling the qPlus sensor dynamics Figure 2 provides a model schematic of the qPlus sensor. The unconstrained tine
  • modeling parameters are listed in Table 1. The schematic in Figure 2 highlights a kinematic property of a bending cantilever combined with a finite tip length [31]. The bending of the cantilever results in a transverse deflection of the free end. Additionally, bending causes the cross section of the beam
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Published 14 Aug 2015
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