Search results

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

Superconducting spin valve effect in Co/Pb/Co heterostructures with insulating interlayers

  • Andrey A. Kamashev,
  • Nadir N. Garif’yanov,
  • Aidar A. Validov,
  • Vladislav Kataev,
  • Alexander S. Osin,
  • Yakov V. Fominov and
  • Ilgiz A. Garifullin

Beilstein J. Nanotechnol. 2024, 15, 457–464, doi:10.3762/bjnano.15.41

Graphical Abstract
  • different from metallic-type structures of [40] and the present work, in which only very thin oxidized interfaces are insulating. Theoretical analysis The modeling of the observed significant SSV effect in heterostructures with intentionally deteriorated S/F interfaces is rather challenging because of an
  • layers's magnetizations, respectively. The dependence of the magnitude of the SSV effect ΔTc (left vertical scale) and of the superconducting critical temperature for the parallel orientation of the magnetizations of the Co1 and Co2 layers (right vertical scale) on the Pb layer thickness dPb. Modeling
PDF
Album
Supp Info
Full Research Paper
Published 25 Apr 2024

On the mechanism of piezoresistance in nanocrystalline graphite

  • Sandeep Kumar,
  • Simone Dehm and
  • Ralph Krupke

Beilstein J. Nanotechnol. 2024, 15, 376–384, doi:10.3762/bjnano.15.34

Graphical Abstract
  • resistance. However, the theoretical modeling shows that the modulation of the transport gap under strain is sensitive to the degree of asymmetry of the grain boundaries. While the symmetric grain boundaries remain metallic in the presence of uniaxial strain, the transport gap of the asymmetric
PDF
Album
Full Research Paper
Published 08 Apr 2024
Graphical Abstract
  • new ways for modeling the structural properties and bio-toxic effects of NMs. The goal of the study is to construct fully validated property-based models to extract relevant features for estimating and influencing the zeta potential and obtaining the toxicity profile regarding cell damage in the
  • treatment of cancer cells. To achieve this, QSPR modeling was first performed with 18 metal oxide (MeOx) NMs to measure their materials properties using periodic table-based descriptors. The features obtained were later applied for zeta potential calculation (imputation for sparse data) for MeOx NMs that
  • structural diversity of metal oxide nanoparticles (MeOx NPs) poses significant challenges in determining their toxic effect on living cells [14][15]. Works related to nanoscale toxicity modeling have been published [16][17][18][19][20] to predict the toxicity profile of MeOx NPs on various cell lines and
PDF
Album
Supp Info
Full Research Paper
Published 12 Mar 2024

Ultrasensitive and ultrastretchable metal crack strain sensor based on helical polydimethylsiloxane

  • Shangbi Chen,
  • Dewen Liu,
  • Weiwei Chen,
  • Huajiang Chen,
  • Jiawei Li and
  • Jinfang Wang

Beilstein J. Nanotechnol. 2024, 15, 270–278, doi:10.3762/bjnano.15.25

Graphical Abstract
  • metal crack sensors that exhibit exceptional performance in terms of ultrahigh sensitivity and ultrahigh stretchability. This is achieved by incorporating a helical structure into the substrate through a modeling process and, subsequently, depositing a thin film of gold onto the polydimethylsiloxane
PDF
Album
Supp Info
Full Research Paper
Published 01 Mar 2024

Design, fabrication, and characterization of kinetic-inductive force sensors for scanning probe applications

  • August K. Roos,
  • Ermes Scarano,
  • Elisabet K. Arvidsson,
  • Erik Holmgren and
  • David B. Haviland

Beilstein J. Nanotechnol. 2024, 15, 242–255, doi:10.3762/bjnano.15.23

Graphical Abstract
  • . We present design simulations including mechanical finite-element modeling of surface strain and electromagnetic simulations of meandering nanowires with large kinetic inductance. We discuss a lumped-element model of the force sensor and describe the role of an additional shunt inductance for tuning
PDF
Album
Full Research Paper
Published 15 Feb 2024

Quantitative wear evaluation of tips based on sharp structures

  • Ke Xu and
  • Houwen Leng

Beilstein J. Nanotechnol. 2024, 15, 230–241, doi:10.3762/bjnano.15.22

Graphical Abstract
  • , and S represents the accurate surface topography of the sample. An accurate reflection of the tip morphology information is possible when the sample surface S exhibits sharp and rapidly changing morphology features. A blind modeling algorithm utilizes the topography information of each pixel and its
  • topography accurately. In contrast to the blind reconstruction algorithm, when using sharp structures to characterize the tip topography, the tip morphology is mainly reflected in the sharp feature structures on the sample. Figure 2 illustrates the modeling process. To enhance accuracy and efficiency of
  • probe modeling, the maximum value in the image is used as the center point of the initial probe template. This ensures that the initial probe template is robust and represents salient features in the image. Then the subgraph template in the image is determined, and the initial template is iterated
PDF
Album
Full Research Paper
Published 14 Feb 2024

Ion beam processing of DNA origami nanostructures

  • Leo Sala,
  • Agnes Zerolová,
  • Violaine Vizcaino,
  • Alain Mery,
  • Alicja Domaracka,
  • Hermann Rothard,
  • Philippe Boduch,
  • Dominik Pinkas and
  • Jaroslav Kocišek

Beilstein J. Nanotechnol. 2024, 15, 207–214, doi:10.3762/bjnano.15.20

Graphical Abstract
  • by ion beams, modeling ion implantation, lithography, and sputtering conditions. Structural changes in 2D DNA origami nanostructures deposited on Si are analyzed using AFM imaging. The observed effects on DNA origami include structure height decrease or increase upon fast heavy ion irradiation in
PDF
Album
Supp Info
Full Research Paper
Published 12 Feb 2024

Ferromagnetic resonance spectra of linear magnetosome chains

  • Elizaveta M. Gubanova and
  • Nikolai A. Usov

Beilstein J. Nanotechnol. 2024, 15, 157–167, doi:10.3762/bjnano.15.15

Graphical Abstract
  • correct interpretation of the FMR spectra, it is highly desirable to use the results of detailed micromagnetic modeling, which takes into account the main physical factors affecting the FMR spectra, including the effect of strong magnetic dipole interactions in magnetosome chains. Both magnetosomes grown
  • important to study the dependence of the FMR spectra on the specified chain geometric parameters. In this paper, we restrict ourselves to detailed modeling of the FMR spectra of chains of quasi-spherical magnetosomes with diameters in the range D = 20–45 nm. An important geometrical parameter of the chain
  • distance between the particle centers in a chain is a = D + 2Ten. When modeling the FMR spectra of magnetosome chains, it is important to choose the adequate magnetic damping constant κ of the magnetic nanoparticles. Unfortunately, experimental data for this quantity for assemblies of magnetic
PDF
Album
Full Research Paper
Published 05 Feb 2024

Measurements of dichroic bow-tie antenna arrays with integrated cold-electron bolometers using YBCO oscillators

  • Leonid S. Revin,
  • Dmitry A. Pimanov,
  • Alexander V. Chiginev,
  • Anton V. Blagodatkin,
  • Viktor O. Zbrozhek,
  • Andrey V. Samartsev,
  • Anastasia N. Orlova,
  • Dmitry V. Masterov,
  • Alexey E. Parafin,
  • Victoria Yu. Safonova,
  • Anna V. Gordeeva,
  • Andrey L. Pankratov,
  • Leonid S. Kuzmin,
  • Anatolie S. Sidorenko,
  • Silvia Masi and
  • Paolo de Bernardis

Beilstein J. Nanotechnol. 2024, 15, 26–36, doi:10.3762/bjnano.15.3

Graphical Abstract
  • receiving system as a prototype for the 210/240 GHz auxiliary channels of the LSPE mission. Results and Discussion Numerical modeling of the antenna matrix with CEBs As a receiving system prototype for LSPE, it is proposed to use a matrix of dipole antennas with integrated CEBs as sensitive elements [24
PDF
Album
Full Research Paper
Published 04 Jan 2024

A bifunctional superconducting cell as flux qubit and neuron

  • Dmitrii S. Pashin,
  • Pavel V. Pikunov,
  • Marina V. Bastrakova,
  • Andrey E. Schegolev,
  • Nikolay V. Klenov and
  • Igor I. Soloviev

Beilstein J. Nanotechnol. 2023, 14, 1116–1126, doi:10.3762/bjnano.14.92

Graphical Abstract
  • Planck distribution. Note that we believe that the renormalised coupling constant does not depend on the frequency of the bosonic mode. We also used a numerical solution of the Redfield equation based on the Fock representation [50] using supercomputer modeling tools to obtain the results. It should be
PDF
Album
Full Research Paper
Published 21 Nov 2023

Density functional theory study of Au-fcc/Ge and Au-hcp/Ge interfaces

  • Olga Sikora,
  • Małgorzata Sternik,
  • Benedykt R. Jany,
  • Franciszek Krok,
  • Przemysław Piekarz and
  • Andrzej M. Oleś

Beilstein J. Nanotechnol. 2023, 14, 1093–1105, doi:10.3762/bjnano.14.90

Graphical Abstract
  • separation. Their values can be obtained from DFT calculations of the total energies of appropriate systems modeling the heterostructure as well as the bulk crystals and slabs with a vacuum layer. The methodology details (from choosing the interface model up to the optimization methods) differ between
  • lying directly above Ge atoms, dint = 2.36 Å, is shorter than Ge–Au bond lengths reported previously. The preferential localization of Au atoms at bridge sites rather than at top sites of Ge surfaces should be taken into account when modeling other interface models. We conclude the discussion of model
PDF
Album
Full Research Paper
Published 15 Nov 2023

Exploring internal structures and properties of terpolymer fibers via real-space characterizations

  • Michael R. Roenbeck and
  • Kenneth E. Strawhecker

Beilstein J. Nanotechnol. 2023, 14, 1004–1017, doi:10.3762/bjnano.14.83

Graphical Abstract
  • single peak, but rather an aggregation of many individual peaks [3]. Ferreira et al. made similar observations from XRD and concluded that this broad peak reflected an “ordered but not crystalline” fiber structure [6]. In addition, analytical modeling of XRD spectra suggested that the three principal
PDF
Album
Full Research Paper
Published 05 Oct 2023

Prediction of cytotoxicity of heavy metals adsorbed on nano-TiO2 with periodic table descriptors using machine learning approaches

  • Joyita Roy,
  • Souvik Pore and
  • Kunal Roy

Beilstein J. Nanotechnol. 2023, 14, 939–950, doi:10.3762/bjnano.14.77

Graphical Abstract
  • knowledge of the authors, this is the first work on ML models using periodic table descriptors to successfully demonstrate the high potential of the proposed modeling approaches. Methods and Materials Dataset The dataset was collected from previously published literature [20]. A mixture of nano-TiO2 powders
  • contributing features) were further used for modeling using RF, AdaBoost, Gradient Boost, and Extreme Gradient Boost algorithms. Model development This section introduces four classification models; all of them are ensemble learning models. ML is a subset of artificial intelligence where the machine learns
  • random forest algorithm and the AdaBoost algorithm for QSAR modeling using quantum mechanical descriptors. In contrast, the present study involved the random forest algorithm, the AdaBoost algorithm along with Gradient Boost and XGBoost algorithms using simple periodic table descriptors that are easy to
PDF
Album
Supp Info
Full Research Paper
Published 12 Sep 2023

Upscaling the urea method synthesis of CoAl layered double hydroxides

  • Camilo Jaramillo-Hernández,
  • Víctor Oestreicher,
  • Martín Mizrahi and
  • Gonzalo Abellán

Beilstein J. Nanotechnol. 2023, 14, 927–938, doi:10.3762/bjnano.14.76

Graphical Abstract
  • AUTOBK background removal algorithm [77]. The quantitative analysis of the EXAFS results were performed by modeling and fitting the isolated EXAFS oscillations. The EXAFS oscillations χ(k) were extracted from the experimental data with standard procedures using the Athena program part of the Demeter
PDF
Album
Supp Info
Full Research Paper
Published 11 Sep 2023

A wearable nanoscale heart sound sensor based on P(VDF-TrFE)/ZnO/GR and its application in cardiac disease detection

  • Yi Luo,
  • Jian Liu,
  • Jiachang Zhang,
  • Yu Xiao,
  • Ying Wu and
  • Zhidong Zhao

Beilstein J. Nanotechnol. 2023, 14, 819–833, doi:10.3762/bjnano.14.67

Graphical Abstract
  • feature that mimics the sensitivity of sound signals of different frequencies in the human ear, based on the hearing mechanism. Extracting MFCC features is useful for modeling heart sound signals. The wavelet feature extraction method uses “db6 wavelet decomposition” to generate seven feature vectors. The
PDF
Album
Full Research Paper
Published 31 Jul 2023

Suspension feeding in Copepoda (Crustacea) – a numerical model of setae acting in concert

  • Alexander E. Filippov,
  • Wencke Krings and
  • Stanislav N. Gorb

Beilstein J. Nanotechnol. 2023, 14, 603–615, doi:10.3762/bjnano.14.50

Graphical Abstract
  • behind it and the structures themselves have been studied for decades, the interplay between the different setae types and the parameters contributing to their particle collecting capacities remain partly enigmatic. Here, we provide a numerical modeling approach to understand the relationship among the
  • carrying out more extensive numerical modeling in the future as the model can be easily computed with MatLab, and the parameters of the model (e.g., the size of the food particles and the quantity and mechanical properties of setae) can be adjusted to specific systems or problems. This model shall serve as
  • . Additionally, it shows that short and long setae are more effective when they work in concert and have different mechanical properties and different adhesiveness. This present study is rather a protocol for carrying out more extensive numerical modeling in the future as the model can be easily computed with
PDF
Album
Supp Info
Full Research Paper
Published 17 May 2023

Frontiers of nanoelectronics: intrinsic Josephson effect and prospects of superconducting spintronics

  • Anatolie S. Sidorenko,
  • Horst Hahn and
  • Vladimir Krasnov

Beilstein J. Nanotechnol. 2023, 14, 79–82, doi:10.3762/bjnano.14.9

Graphical Abstract
  • sum of the power values from two individually biased arrays. The detected phenomenon is attributed to the phase locking of Josephson junctions in different arrays via a common electromagnetic field [20]. Modeling of a multi-frequency receiving system based on an array of dipole antennas with cold
PDF
Editorial
Published 10 Jan 2023

The influence of structure and local structural defects on the magnetic properties of cobalt nanofilms

  • Alexander Vakhrushev,
  • Aleksey Fedotov,
  • Olesya Severyukhina and
  • Anatolie Sidorenko

Beilstein J. Nanotechnol. 2023, 14, 23–33, doi:10.3762/bjnano.14.3

Graphical Abstract
  • Alexander Vakhrushev Aleksey Fedotov Olesya Severyukhina Anatolie Sidorenko Modeling and Synthesis of Technological Structures Department, Institute of Mechanics, Udmurt Federal Research Centre, Ural Division, Russian Academy of Sciences, Baramzinoy 34, Izhevsk 426067, Russia Orel State University
  • is used. This approach includes methods of first principles, spin models based on the stochastic Landau–Lifshitz–Gilbert equation, and a submodel of micromagnetism, described by the Landau–Lifshitz–Bloch equation. The reference [32] is also devoted to the development of modeling methods in the field
  • nanomaterial arising from its production are important tasks, often closely related to the composition of the sample in question. In this paper, we propose one mathematical model to investigate the relationship between the material structure and its magnetic properties. Mathematical modeling is used to
PDF
Album
Full Research Paper
Published 04 Jan 2023

Atmospheric water harvesting using functionalized carbon nanocones

  • Fernanda R. Leivas and
  • Marcia C. Barbosa

Beilstein J. Nanotechnol. 2023, 14, 1–10, doi:10.3762/bjnano.14.1

Graphical Abstract
  • hydrophilic sites [56][57]. Conclusion Molecular dynamics simulations were performed to study water harvesting, using a combination of hydrophobic and hydrophilic sites in carbon nanocones in contact with a vapor water reservoir. The nanocone was constructed modeling three ring-shaped hydrophilic regions
PDF
Album
Full Research Paper
Published 02 Jan 2023

Single-step extraction of small-diameter single-walled carbon nanotubes in the presence of riboflavin

  • Polina M. Kalachikova,
  • Anastasia E. Goldt,
  • Eldar M. Khabushev,
  • Timofei V. Eremin,
  • Timofei S. Zatsepin,
  • Elena D. Obraztsova,
  • Konstantin V. Larionov,
  • Liubov Yu. Antipina,
  • Pavel B. Sorokin and
  • Albert G. Nasibulin

Beilstein J. Nanotechnol. 2022, 13, 1564–1571, doi:10.3762/bjnano.13.130

Graphical Abstract
  • helical densities discussed by Sharifi and co-workers [17]. For each (n,m)-SWCNT, three riboflavin molecules were deposited on its surface (Figure 4) and relaxed reproducing wrapping patterns [17]. SWCNT was excluded from ongoing modeling, while nitrogen atoms were fixed to preserve the optimized
  • to a supercomputer cluster at NUST "MISiS" provided by the Materials Modeling and Development Laboratory and to the Joint Supercomputer Center of the Russian Academy of Sciences. Funding A.G.N and A.E.G thank the Council on grants of the President of the Russian Federation grant number НШ
PDF
Album
Supp Info
Full Research Paper
Published 22 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
  • nanoparticle material is released from the polymeric structure on the basis of diffusion as the major mechanism. It has been confirmed by mathematical modeling that the release is based on diffusion [10][61]. In contrast, the Peppas–Sahlin model describes the drug release from CS/DCX-PLGA NPs. The Peppas
  • = 3, mean ± SD). Release kinetic modeling and results of DCX-loaded PLGA nanoparticles. Calculation of the differences and similarities of the release profiles of the nanoparticles formulations with the difference (f1) and similarity (f2) factors. Apparent permeability coefficient (Paap) of DCX on
PDF
Album
Full Research Paper
Published 23 Nov 2022

Growing up in a rough world: scaling of frictional adhesion and morphology of the Tokay gecko (Gekko gecko)

  • Anthony J. Cobos and
  • Timothy E. Higham

Beilstein J. Nanotechnol. 2022, 13, 1292–1302, doi:10.3762/bjnano.13.107

Graphical Abstract
  • adhesive pads is the contact area between the setae and the surface. With increasingly rough surfaces, the area for contact decreases, leading to decreased adhesive performance. In a modeling framework, the force of adhesion can be related to surface energy of the substrate, the area of the adhering pad
PDF
Album
Supp Info
Full Research Paper
Published 09 Nov 2022

Enhanced electronic transport properties of Te roll-like nanostructures

  • E. R. Viana,
  • N. Cifuentes and
  • J. C. González

Beilstein J. Nanotechnol. 2022, 13, 1284–1291, doi:10.3762/bjnano.13.106

Graphical Abstract
  • mode. EDS point acquisitions were also performed during TEM analysis by using a silicon drift detector (SDD) from Oxford Instruments. Electronic transport The electronic transport properties of the sample were investigated by acquiring and modeling the transfer and gate curves of Te roll-like single
PDF
Album
Supp Info
Full Research Paper
Published 08 Nov 2022

Nonlinear features of the superconductor–ferromagnet–superconductor φ0 Josephson junction in the ferromagnetic resonance region

  • Aliasghar Janalizadeh,
  • Ilhom R. Rahmonov,
  • Sara A. Abdelmoneim,
  • Yury M. Shukrinov and
  • Mohammad R. Kolahchi

Beilstein J. Nanotechnol. 2022, 13, 1155–1166, doi:10.3762/bjnano.13.97

Graphical Abstract
  • Landau–Lifshitz model to reproduce the damping of the precessing magnetic moment. Gilbert damping is also important in modeling other resonance features, as its temperature dependence affects them [20][21], and, in turn, in the superconducting correlations that affect it [22]. The magnetization
  • precession in an ultrathin Co20Fe60B20 layer stimulated by microwave voltage under a large angle requires modeling by a Duffing oscillator, too. This is aided by the so-called fold-over features, again due to nonlinearity [16][23][24]. The consequences of the nonlinear nature of the coupled set of the LLGJ
PDF
Album
Supp Info
Full Research Paper
Published 21 Oct 2022

Recent advances in green carbon dots (2015–2022): synthesis, metal ion sensing, and biological applications

  • Aisha Kanwal,
  • Naheed Bibi,
  • Sajjad Hyder,
  • Arif Muhammad,
  • Hao Ren,
  • Jiangtao Liu and
  • Zhongli Lei

Beilstein J. Nanotechnol. 2022, 13, 1068–1107, doi:10.3762/bjnano.13.93

Graphical Abstract
  • different carbonization temperatures (200 and 450 °C) were used to prepare CDs, namely C-1 and C-2, respectively, via pyrolysis. To examine the interaction of functional groups present on the CDs with water vapor, theoretical modeling was also carried out by using the DFT-based B3LYP hybrid functional at 6
PDF
Album
Review
Published 05 Oct 2022
Other Beilstein-Institut Open Science Activities