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Search for "simulations" in Full Text gives 557 result(s) in Beilstein Journal of Nanotechnology. Showing first 200.

Quasi-guided modes resulting from the band folding effect in a photonic crystal slab for enhanced interactions of matters with free-space radiations

  • Kaili Sun,
  • Yangjian Cai,
  • Uriel Levy and
  • Zhanghua Han

Beilstein J. Nanotechnol. 2023, 14, 322–328, doi:10.3762/bjnano.14.27

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  • a large bandwidth. The huge local field enhancement, even higher than that in plasmonic nanoantennas, has been demonstrated using numerical simulations. Although a PCS structure in the form of air holes in a silicon slab is used for demonstration, we note the same physics can be extended to other
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Published 06 Mar 2023

A distributed active patch antenna model of a Josephson oscillator

  • Vladimir M. Krasnov

Beilstein J. Nanotechnol. 2023, 14, 151–164, doi:10.3762/bjnano.14.16

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  • Large-amplitude case The described above perturbative approach is valid only for small amplitudes. Simulations in Figure 2a are made for an underdamped JJ, α = 0.1. In this case the quality factor of high-order cavity modes is large, and |gn| is not small. Since ϕ appears within the sin η term in
  • phase oscillations will not grow beyond |gn| = π. Instead, higher harmonic generation will occur. Full numerical simulations of the sine-Gordon equation (Equation 3), shown by blue symbols in Figure 2a, reveal that the amplitude of oscillations reach π at the end of the velocity-matching step. This
  • for antennas [36] and is consistent with direct simulations for JJs with radiative boundary conditions [10]. Yet, the overall power efficiency is reduced by the “leakage” QP current in Equation 42, which just produces heat. For the I–V curves in Figure 2a, the ohmic QP current is more than twice ΔI at
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Published 26 Jan 2023

Intermodal coupling spectroscopy of mechanical modes in microcantilevers

  • Ioan Ignat,
  • Bernhard Schuster,
  • Jonas Hafner,
  • MinHee Kwon,
  • Daniel Platz and
  • Ulrich Schmid

Beilstein J. Nanotechnol. 2023, 14, 123–132, doi:10.3762/bjnano.14.13

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  • the FEM simulations, has the nodal lines much closer to the added mass. The other orders were observed below the frequency of T3’, but they were much harder to excite with the piezoshaker used for the experiment and, therefore, excluded from the analysis. The existence of these modes can be explained
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Published 19 Jan 2023

Characterisation of a micrometer-scale active plasmonic element by means of complementary computational and experimental methods

  • Ciarán Barron,
  • Giulia Di Fazio,
  • Samuel Kenny,
  • Silas O’Toole,
  • Robin O’Reilly and
  • Dominic Zerulla

Beilstein J. Nanotechnol. 2023, 14, 110–122, doi:10.3762/bjnano.14.12

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  • optical and thermal data are used to inform detailed finite element method simulations for verification and to predict system responses allowing for enhanced design choices to maximise modulation depth and localisation. Keywords: active plasmonics; atomic force microscope; scanning Joule expansion
  • imaging technologies and as modulators in optoelectronic couplers for photonic circuits. Finite element method (FEM) simulations are used to validate both experimental approaches, allowing for cross-verification of results and giving greater insight into the underlying physical phenomena. Surface plasmon
  • temperature distribution surrounding the active element through SJEM mapping the thermal expansion of the metallic surface using an AFM. Both methods are further reinforced through the use of three-dimensional simulations. A description of the experimental methods of both investigations is detailed below as
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Published 16 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

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  • , Academiei 3/3, Chisinau 2028, Moldova 10.3762/bjnano.14.3 Abstract The present paper considers a mathematical model describing the time evolution of spin states and magnetic properties of a nanomaterial. We present the results of two variants of nanosystem simulations. In the first variant, cobalt with a
  • simulations, after pre-correction in the initial time stages, the value of spin temperature stabilized and tended to the average value. Also, the change in spin temperature occurred near the average value. The system with a real structure had a variable spin temperature compared to that of a system with an
  • problem of obtaining clearly separated contact layers is highly relevant. Using simulations, it was demonstrated that optimization of the nanofilm interface can be obtained either by introducing additional intermediate thin layers neutral to the original composition, such as aluminum oxide, or by
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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

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  • occurs due to the presence of hydrophilic sites at the nanocone entrance. The functionalization, together with the high mobility of water inside nanostructures, leads to a fast water flow through the nanostructure. We show using molecular dynamics simulations that this device is able to collect water if
  • addition to the hydrophobicity described above. The phenomena of density increasing with temperature at constant pressure and diffusion coefficients increasing with density at constant temperature were observed in experiments and simulations in bulk water [22][23][24]. Water presents both super flow and
  • molecular dynamics simulations the process of capturing and collecting water in a functionalized carbon nanocone. The process is analyzed in a system in which the larger diameter of the cone is in contact with a vapor reservoir and the smaller diameter is in contact with an initially empty reservoir. The
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Published 02 Jan 2023

Observation of collective excitation of surface plasmon resonances in large Josephson junction arrays

  • Roger Cattaneo,
  • Mikhail A. Galin and
  • Vladimir M. Krasnov

Beilstein J. Nanotechnol. 2022, 13, 1578–1588, doi:10.3762/bjnano.13.132

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  • non-quadratic. Indeed, the nonlinear IMW(N) dependence often appears in corresponding numerical simulations [33]. Furthermore, the simple analysis above assumes a perfect phase-locking of the array to a single cavity mode, which is not always the case. During the experiments we observed switching
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Published 28 Dec 2022

Structural studies and selected physical investigations of LiCoO2 obtained by combustion synthesis

  • Monika Michalska,
  • Paweł Ławniczak,
  • Tomasz Strachowski,
  • Adam Ostrowski and
  • Waldemar Bednarski

Beilstein J. Nanotechnol. 2022, 13, 1473–1482, doi:10.3762/bjnano.13.121

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  • (Oxford Instruments, England). The concentration of paramagnetic ions was obtained using the procedure described elsewhere [61]. Spectral simulations were performed by applying the EasySpin software (version 5.2.27) [62]. Electrical properties The electrical properties of the investigated LiCoO2 doped
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Published 07 Dec 2022

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
  • synchronization inside each array. The latter effect removes the limit of two for the gain factor. Finally, for better understanding, we performed numerical simulations of the inner dynamics for two interacting arrays. Our simulations confirm that two arrays can be phase-locked by a common EM field. They also
  • corresponding dependence of the radiation power Pb(Vb) for an inactive array-a. The power P is calculated by integration of the radiation pattern at the specific frequencies where the maximum in the spectrum of the ac current averaged over the JJs is observed [22]. This and subsequent simulations are performed
  • radiation power. It can be seen that, similar to the experimental observations (Figure 3a,c, Figure 4a, and Figure 5c), the step in the IVC becomes more pronounced compared to the previous simulations in Figure 6b. The amplitude has doubled, ΔI = 0.17 mA, and the differential resistance decreased by nearly
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Published 06 Dec 2022

Density of states in the presence of spin-dependent scattering in SF bilayers: a numerical and analytical approach

  • Tairzhan Karabassov,
  • Valeriia D. Pashkovskaia,
  • Nikita A. Parkhomenko,
  • Anastasia V. Guravova,
  • Elena A. Kazakova,
  • Boris G. Lvov,
  • Alexander A. Golubov and
  • Andrey S. Vasenko

Beilstein J. Nanotechnol. 2022, 13, 1418–1431, doi:10.3762/bjnano.13.117

Graphical Abstract
  • = 0, there is no suppression of the order parameter because there is no inverse proximity effect. In all numerical simulations, we assume that γ ≪ 1, that is, there is almost no superconductivity suppression in the superconductor. The transparency parameter γB is proportional to the interface
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Published 01 Dec 2022

Recent trends in Bi-based nanomaterials: challenges, fabrication, enhancement techniques, and environmental applications

  • Vishal Dutta,
  • Ankush Chauhan,
  • Ritesh Verma,
  • C. Gopalkrishnan and
  • Van-Huy Nguyen

Beilstein J. Nanotechnol. 2022, 13, 1316–1336, doi:10.3762/bjnano.13.109

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Published 11 Nov 2022

Bending and punching characteristics of aluminum sheets using the quasi-continuum method

  • Man-Ping Chang,
  • Shang-Jui Lin and
  • Te-Hua Fang

Beilstein J. Nanotechnol. 2022, 13, 1303–1315, doi:10.3762/bjnano.13.108

Graphical Abstract
  • the MD simulation can be effectively applied to simulations at the nanoscale, it still has limitations [14]. Therefore, in recent years, the multiscale simulation approach, which combines atomistic and continuum simulations, has received more and more attention [24][25][26][27][28][29][30][31][32
  • nanoscale simulations. In the present study, the QC method was performed to simulate nano-punching processes. Since the QC method has the benefits of simulating large-scale models and reducing simulation operation time to enhance the simulation efficiency, it accurately captures the atomistic physics while
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Published 10 Nov 2022

Studies of probe tip materials by atomic force microscopy: a review

  • Ke Xu and
  • Yuzhe Liu

Beilstein J. Nanotechnol. 2022, 13, 1256–1267, doi:10.3762/bjnano.13.104

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  • without compromising the carbon nanotubes' aspect ratio, strength and size. The mechanical response of these composite beams under bending is studied in molecular dynamics simulations and nanomanipulation experiments. The behavior of this system has been studied at both theoretical and experimental levels
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Published 03 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
  • density functional theory (DFT) simulations have recently been used to explore the reaction mechanism in Ti–organic MLD film growth [42], such a study that explores the surface reactions and the precursor chemistry in titanicone MLD film growth and the role of the precursor chemistries is still lacking
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Published 02 Nov 2022

A super-oscillatory step-zoom metalens for visible light

  • Yi Zhou,
  • Chao Yan,
  • Peng Tian,
  • Zhu Li,
  • Yu He,
  • Bin Fan,
  • Zhiyong Wang,
  • Yao Deng and
  • Dongliang Tang

Beilstein J. Nanotechnol. 2022, 13, 1220–1227, doi:10.3762/bjnano.13.101

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  • analyzed by electromagnetic simulations to verify the super-resolution focusing capability corresponding to two different focal lengths. Additionally, with our method, the focal plane can be changed by switching the polarization of the incident light instead of moving the lens. We believe this unique
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Published 28 Oct 2022

Design of surface nanostructures for chirality sensing based on quartz crystal microbalance

  • Yinglin Ma,
  • Xiangyun Xiao and
  • Qingmin Ji

Beilstein J. Nanotechnol. 2022, 13, 1201–1219, doi:10.3762/bjnano.13.100

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  • expose chiral surfaces even with high symmetry and low Miller index surface orientations [131][132][133]. Therefore, metals with chiral surfaces may have enantiospecific interactions with chiral molecules [134][135][136][137][138]. Scanning tunneling microscopy (STM) studies and simulations indicated
  • -amino acids on metal crystals of Ag, Cu, Pt and alloys by density functional theory (DFT) simulations. They revealed that Pt(531) with a step–kink metal surface has better enantiospecificity for eight α-amino acids (alanine, α-aminobutyric acid, valine, leucine, phenylalanine, serine, cysteine, and 3
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Published 27 Oct 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
  • simulations. The role of the DC superconducting current and the state with negative differential resistance (NDR) in the I–V characteristics were not clarified. Also, the effects of the Josephson-to-magnetic energy ratio and the spin–orbit coupling (SOC) were not investigated at that time. In the present
  • numerical simulations of the dependence on α at different values of the SOC parameter r. It shows two specific features of ADD. First, with an increase in r, the critical value of Vpeak decreases (the curve moves away from ωF). The second important feature is an increase of αcrit, which is indicated by
  • arrows in the figure. Another model parameter that affects the phenomenon discussed in the present paper is the ratio G between Josephson energy and magnetic energy. Figure 4b demonstrates the results of numerical simulations of the dependence on α at different values of G. Similar to the effect of r
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Published 21 Oct 2022

Analytical and numerical design of a hybrid Fabry–Perot plano-concave microcavity for hexagonal boron nitride

  • Felipe Ortiz-Huerta and
  • Karina Garay-Palmett

Beilstein J. Nanotechnol. 2022, 13, 1030–1037, doi:10.3762/bjnano.13.90

Graphical Abstract
  • for a hybrid plano-concave microcavity, containing a multilayer of hBN hosting a SPE (Figure 1), by using analytical methods and FDTD simulations. Fabrication design steps are first shown for our microcavity, afterwards we found the range of geometrical parameters necessary for our stable resonator
  • , followed by a transfer matrix model used to find the resonant modes of the microcavity, which are then corroborated by FDTD simulations. Results and Discussion Fabrication design Hybrid plano-concave microcavity By using a quarter-wavelength DBR with a multilayer 2D material on top (Figure 2a), we designed
  • (see supplementary material of [19]), the planar surface (R1 = ∞) approximation values (Table 1) fall within the desired range with our FDTD simulations. We take a transversal cut through a fixed value of L2 (Figure 5) and observe the dependence of W02 and W2 to the radius of curvature (R2) of a plano
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Published 27 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
  • by molecular dynamics (MD) simulations how one of the most commonly found residual contaminations in vacuum chambers (i.e., water adsorbed on a silicon surface) influences sputtering by 100 eV argon ions. The incidence angle was changed from normal incidence to close to grazing incidence. For the
  • ; molecular dynamics; silicon; simulations; water; Introduction Focused ion beams (FIB) play an increasingly important role in materials research areas such as nanoanalysis (e.g., secondary ion mass spectrometry (SIMS) [1][2][3] and sample preparation for transmission electron microscopy (TEM) [4], atom
  • extreme cases. Nowadays, very little is known about the influence of contaminations on the amorphization process under ion irradiation. Thanks to molecular dynamics (MD) simulations, a wide range of materials properties and process parameters can be reproduced [27][28][29]. In this paper, we are using MD
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Published 21 Sep 2022

Theoretical investigations of oxygen vacancy effects in nickel-doped zirconia from ab initio XANES spectroscopy at the oxygen K-edge

  • Dick Hartmann Douma,
  • Lodvert Tchibota Poaty,
  • Alessio Lamperti,
  • Stéphane Kenmoe,
  • Abdulrafiu Tunde Raji,
  • Alberto Debernardi and
  • Bernard M’Passi-Mabiala

Beilstein J. Nanotechnol. 2022, 13, 975–985, doi:10.3762/bjnano.13.85

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  • Dick Hartmann Douma Lodvert Tchibota Poaty Alessio Lamperti Stephane Kenmoe Abdulrafiu Tunde Raji Alberto Debernardi Bernard M'Passi-Mabiala Groupe de Simulations Numériques en Magnétisme et Catalyse, Faculté des Sciences et Techniques, Université Marien Ngouabi, B.P. 69 Brazzaville, Congo IMM-CNR
  • which is being currently employed in ultra-scaled electronics for its high dielectric constant [24][25] have received significant attention because of its practical applications. Thus, recently, exploiting first principles simulations and X-ray absorption near edge spectroscopy (XANES) in high magnetic
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Published 15 Sep 2022

Self-assembly of C60 on a ZnTPP/Fe(001)–p(1 × 1)O substrate: observation of a quasi-freestanding C60 monolayer

  • Guglielmo Albani,
  • Michele Capra,
  • Alessandro Lodesani,
  • Alberto Calloni,
  • Gianlorenzo Bussetti,
  • Marco Finazzi,
  • Franco Ciccacci,
  • Alberto Brambilla,
  • Lamberto Duò and
  • Andrea Picone

Beilstein J. Nanotechnol. 2022, 13, 857–864, doi:10.3762/bjnano.13.76

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  • ZnTPP spectrum in Figure 3, the UPS peaks related to the main molecule ring and to the phenyl groups are labeled “R” and “Ph” [52][53], respectively, according to theoretical simulations performed on metal tetraphenyl porphyrins and metal porphyrins [54]. When an additional single layer of C60 is added
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Published 30 Aug 2022

Micro-structures, nanomechanical properties and flight performance of three beetles with different folding ratios

  • Jiyu Sun,
  • Pengpeng Li,
  • Yongwei Yan,
  • Fa Song,
  • Nuo Xu and
  • Zhijun Zhang

Beilstein J. Nanotechnol. 2022, 13, 845–856, doi:10.3762/bjnano.13.75

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  • through wind tunnel tests and numerical simulations, it was found that a higher aspect ratio of bionic wings leads to a higher lift-to-drag ratio [19]. The three-dimensional effect of flow is weakened with increasing aspect ratio, which increases the aerodynamic coefficient [47]. Based on beetle hind wing
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Published 26 Aug 2022

Gelatin nanoparticles with tunable mechanical properties: effect of crosslinking time and loading

  • Agnes-Valencia Weiss,
  • Daniel Schorr,
  • Julia K. Metz,
  • Metin Yildirim,
  • Saeed Ahmad Khan and
  • Marc Schneider

Beilstein J. Nanotechnol. 2022, 13, 778–787, doi:10.3762/bjnano.13.68

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  • stiffer particles is explained by a lower energy needed to engulf them as demonstrated by coarse grain simulations [6]. The simulations showed a faster receptor binding for more deformable particles due to the larger surface area upon deformation. However, when it comes to membrane wrapping and
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Published 16 Aug 2022

Recent advances in nanoarchitectures of monocrystalline coordination polymers through confined assembly

  • Lingling Xia,
  • Qinyue Wang and
  • Ming Hu

Beilstein J. Nanotechnol. 2022, 13, 763–777, doi:10.3762/bjnano.13.67

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  • building blocks of coordination polymers [94]. Ex situ and in situ characterizations and computer simulations have been employed to investigate and analyze the crystallization processes of several coordination polymers [94][95][96][97]. The results suggest that there are many kinds of prenucleation
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Published 12 Aug 2022

A superconducting adiabatic neuron in a quantum regime

  • Marina V. Bastrakova,
  • Dmitrii S. Pashin,
  • Dmitriy A. Rybin,
  • Andrey E. Schegolev,
  • Nikolay V. Klenov,
  • Igor I. Soloviev,
  • Anastasiya A. Gorchavkina and
  • Arkady M. Satanin

Beilstein J. Nanotechnol. 2022, 13, 653–665, doi:10.3762/bjnano.13.57

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  • and the formation of the sigmoidal activation function have also been studied. We start with the parameters of the input flux as presented in Figure 3. Numerical simulations demonstrate a distortion of the sigmoidal form of the activation function even when the SQ neuron is initialized in the ground
  • instantaneous eigenbasis. Numerical simulations are performed for the temperature of the bosonic thermostat at T = 50 mK. We investigated the relaxation of the excited states for both the single-well (l < l*, Figure 10a,c) and double-well (l > l*, Figure 10b,d) potential shapes. The key result is the
  • SQ neuron concept was developed with the support of the Russian Science Foundation (project no. 20-12-00130). The numerical simulations were supported by UNN within the framework of the strategic academic leadership program “Priority 2030” of the Ministry of Science and Higher Education of the
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Published 14 Jul 2022
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