A review on slip boundary conditions at the nanoscale: recent development and applications

• Ruifei Wang,
• Jin Chai,
• Bobo Luo,
• Xiong Liu,
• Jianting Zhang,
• Min Wu,
• Mingdan Wei and
• Zhuanyue Ma

Beilstein J. Nanotechnol. 2021, 12, 1237–1251, doi:10.3762/bjnano.12.91

• conversion from 3 to 70% [23]. Generally, the methods to investigate slip boundary conditions for nanoconfined liquids include theoretical analysis, physical experiments, and numerical simulations [8][24][25][26][27][28][29][30][31][32][33][34]. In recent years, machine learning methods have also been

• force [39][40][41][42]. However, compared with experimental methods, numerical simulations, such as the lattice Boltzmann method and molecular dynamics (MD) simulation, are more attractive in many aspects. First, numerical simulations can readily reach the system sizes and timescales of practical

• nanoflows [43]. Additionally, numerical methods can provide a controllable way to change a certain property of liquid or solid walls while other properties remain unchanged [44]. In comparison with physical experiments, numerical simulations allow researchers to study the density, velocity profiles, and

Electromigration-induced formation of percolating adsorbate islands during condensation from the gaseous phase: a computational study

• Alina V. Dvornichenko,
• Vasyl O. Kharchenko and
• Dmitrii O. Kharchenko

Beilstein J. Nanotechnol. 2021, 12, 694–703, doi:10.3762/bjnano.12.55

• islands during condensation from the gaseous phase. We will show that the elongated morphology of adsorbate islands remains stable if the electric field is turned off. Keywords: adsorptive systems; electromigration; numerical simulations; pattern formation; thin films; Introduction The processes of

• of adsorbate concentration on the substrate. After that, we discuss the results of numerical simulations. The main conclusions are collected in the last section. Model In order to describe the evolution of the adsorbate concentration on the first growing layer of the multilayer system during

• strength ε extends the domain of α and k∥ in which patterning is possible. Numerical simulations In order to perform numerical simulations of the process of pattern formation during deposition we will proceed in a manner closely related to [63][64]. We will solve numerically Equation 4 on a two-dimensional

Determination of elastic moduli of elastic–plastic microspherical materials using nanoindentation simulation without mechanical polishing

• Hongzhou Li and
• Jialian Chen

Beilstein J. Nanotechnol. 2021, 12, 213–221, doi:10.3762/bjnano.12.17

• cannot be controlled. There are no reliable theoretical or experimental methods to evaluate the mechanical behavior during nanoindentation of an elastic–plastic microsphere. Therefore, it is necessary to conduct reliable numerical simulations to evaluate this behavior. This article reports a systematic

• the mechanical behavior during nanoindentation of a curved specimen. Therefore, it is necessary to conduct reliable numerical simulations to evaluate the mechanical behavior of nanoindentation on an elastic–plastic microspherical material. The numerical simulations are usually carried out via the

Mapping of integrated PIN diodes with a 3D architecture by scanning microwave impedance microscopy and dynamic spectroscopy

• Rosine Coq Germanicus,
• Peter De Wolf,
• Florent Lallemand,
• Catherine Bunel,
• Serge Bardy,
• Hugues Murray and
• Ulrike Lüders

Beilstein J. Nanotechnol. 2020, 11, 1764–1775, doi:10.3762/bjnano.11.159

• intrinsic layer allows one to meet the required electrical specifications for switches in power electronics. In order to analyse the profiles extracted from the sMIM measurements, the majority carrier concentration calculated by numerical simulations [31] for an abrupt PIN doping profile is compared with

Seebeck coefficient of silicon nanowire forests doped by thermal diffusion

• Shaimaa Elyamny,
• Elisabetta Dimaggio and
• Giovanni Pennelli

Beilstein J. Nanotechnol. 2020, 11, 1707–1713, doi:10.3762/bjnano.11.153

• doping parameters. These results are in good agreement with numerical simulations of the doping process applied to silicon nanowires. These devices, based on doped nanowire forests, offer a possible route for the exploitation of the high power factor of silicon, which, combined with the very low thermal

• . Therefore, it is mandatory to perform a single-step diffusion process, which results in a nonuniform doping concentration in the nanowire. Here, we report the measurement of the Seebeck coefficient after different doping processes, and compare the measurements with numerical simulations that take into

• several samples as a function of the nanowire length (doping at 800 °C for 10 min). Measured voltage drop (Seebeck voltage ΔVseebeck) as a function of the temperature difference between the ends of the nanowires, ΔTNW. The slope is the Seebeck coefficient of the nanowires. Numerical simulations of

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

• approach can help to avoid some of the mischaracterization issues discussed above, especially in combination with numerical simulations of quasi-static [14][33][34] and dynamic AFM [35] measurements, which incorporate viscoelastic models such as those depicted in Figure 1. Conclusion We have presented an

Transition from freestanding SnO₂ nanowires to laterally aligned nanowires with a simulation-based experimental design

• Jasmin-Clara Bürger,
• Sebastian Gutsch and
• Margit Zacharias

Beilstein J. Nanotechnol. 2020, 11, 843–853, doi:10.3762/bjnano.11.69

• can be changed to the growth of laterally aligned NWs. By comparison of numerical simulations with systematic experiments, we discuss how the process parameters for freestanding SnO2 NWs have to be modified to achieve a laterally aligned NW growth mode. Experimental Substrate preparation The

Current measurements in the intermittent-contact mode of atomic force microscopy using the Fourier method: a feasibility analysis

• Berkin Uluutku and
• Santiago D. Solares

Beilstein J. Nanotechnol. 2020, 11, 453–465, doi:10.3762/bjnano.11.37

• contact-mode imaging. To explore its feasibility, we derive the analytical form of the tip–sample current that would be obtained for attractive (noncontact) and repulsive (intermittent-contact) dynamic AFM characterization, and compare it with results obtained from numerical simulations. Although

• torsional oscillations in a way that reduced cross-contamination of the signals used to reconstruct the tip–sample force. We have also reported numerical simulations of this method, providing analysis software that enables estimations of the accuracy of the method under different conditions [29]. Fourier

• the tunnelling current was neglected. In all cases we obtained good agreement between the analytical expressions derived and the numerical simulations conducted, which suggests that a Fourier-based reconstruction of the current may be feasible. Nevertheless, it is important to point out anticipated

Implementation of data-cube pump–probe KPFM on organic solar cells

• Benjamin Grévin,
• Olivier Bardagot and
• Renaud Demadrille

Beilstein J. Nanotechnol. 2020, 11, 323–337, doi:10.3762/bjnano.11.24

• the photocharging time is not negligible compared to the light pulse duration. In this case, numerical simulations are necessary to properly analyze the spectroscopic SP(fmod) curves [18]. When investigating organic donor–acceptor (D–A) blends, both capacitive effects and photocharging dynamics shall

An investigation on the drag reduction performance of bioinspired pipeline surfaces with transverse microgrooves

• Weili Liu,
• Hongjian Ni,
• Peng Wang and
• Yi Zhou

Beilstein J. Nanotechnol. 2020, 11, 24–40, doi:10.3762/bjnano.11.3

• microstructure, it can be divided into streamwise grooves and transverse grooves. With the development of numerical simulations and experimental techniques, the influence of microstructures on turbulent flow characteristics can be investigated accurately. Its drag reduction mechanism is owed to the two aspects

• measured average pressure difference was compared to the result of numerical simulations at the same flow rate. Figure 9 shows the comparison of the simulated and experimental results, and the maximum relative error was less than 2.0%, which was deemed acceptable. Therefore, it could be concluded from the

• %, which was lower than the maximum DRR of 3.84% obtained in the numerical simulations. Meanwhile, the experimental Reynolds number range associated with a drag reduction effect was smaller than that obtained in the numerical simulation (Table 4). The different results may have been caused by specimen

Plasmonic nanosensor based on multiple independently tunable Fano resonances

• Lin Cheng,
• Zelong Wang,
• Xiaodong He and
• Pengfei Cao

Beilstein J. Nanotechnol. 2019, 10, 2527–2537, doi:10.3762/bjnano.10.243

• the bright mode, and each of the three resonators (cavity1, cavity2, cavity3) can generate the different dark modes. To further reveal the resonance properties, like assembling as building blocks, we performed a series of numerical simulations to discuss the mechanism of our design. Firstly, a simple

Multiple Fano resonances with flexible tunablity based on symmetry-breaking resonators

• Xiao bin Ren,
• Kun Ren,
• Ying Zhang,
• Cheng guo Ming and
• Qun Han

Beilstein J. Nanotechnol. 2019, 10, 2459–2467, doi:10.3762/bjnano.10.236

• , we have Tmax = 1. Results and Discussion Numerical simulations were performed by using COMSOL Multiphysics. The width of the waveguide is W0 = 50 nm, the gap between waveguide and resonator is g = 10 nm. The outer and inner radius of ring are R = 155 nm and r = 55 nm, respectively. The deviation

Dynamics of superparamagnetic nanoparticles in viscous liquids in rotating magnetic fields

• Nikolai A. Usov,
• Ruslan A. Rytov and
• Vasiliy A. Bautin

Beilstein J. Nanotechnol. 2019, 10, 2294–2303, doi:10.3762/bjnano.10.221

• .10.221 Abstract The dynamics of magnetic nanoparticles in a viscous liquid in a rotating magnetic field has been studied by means of numerical simulations and analytical calculations. In the magneto-dynamics approximation three different modes of motion of the unit magnetization vector and particle

• , especially in the region of relatively large nanoparticle diameters. Results and Discussion The results of numerical simulations presented in Figure 4 and Figure 5 show that with an optimal choice of the particle diameters sufficiently large SAR values, of the order of 400–500 W/g can be obtained in RMFs at

• amplitudes used in the experiments [41][43]. Indeed, in [43] the SAR values of the assembly in RMFs were measured in a fairly wide frequency range, from 100 to 800 kHz. However, the RMF amplitudes were only 1 or 2 kA/m, that is, it did not exceed 25 Oe. As our numerical simulations show, it is impossible to

Review of time-resolved non-contact electrostatic force microscopy techniques with applications to ionic transport measurements

• Aaron Mascaro,
• Yoichi Miyahara,
• Tyler Enright,
• Omur E. Dagdeviren and
• Peter Grütter

Beilstein J. Nanotechnol. 2019, 10, 617–633, doi:10.3762/bjnano.10.62

• frequency shift peak’ (tFP) by Giridharagopal and co-workers [22]. The authors demonstrated that simulated results (both numerical simulations of a damped-driven harmonic oscillator and finite element simulations) and their experimental results show excellent agreement given the same parameters and subject

• FF-trEFM for these measurements, we performed numerical simulations (of a damped driven harmonic oscillator, see Supporting Information File 1 for MATLAB code) similar to those performed by Karatay and co-workers [51], using instead a resonance frequency varying in time as a stretched exponential and

• for excitations with time constants of 25 ns and 100 μs are shown).” Reproduced with permission from [51], copyright 2016 AIP Publishing. Extracted FF-trEFM signals from numerical simulations of tip–sample interactions with a stretched-exponential time response (Equation 1) with various relaxation

Heating ability of magnetic nanoparticles with cubic and combined anisotropy

• Nikolai A. Usov,
• Mikhail S. Nesmeyanov,
• Elizaveta M. Gubanova and
• Natalia B. Epshtein

Beilstein J. Nanotechnol. 2019, 10, 305–314, doi:10.3762/bjnano.10.29

• using numerical simulations. We take into account the influence of thermal agitation of particle magnetic moments at a room temperature and the effect of mutual magneto–dipole interaction between the nanoparticles on the assembly behavior. The aim of this paper is to estimate the SAR of magnetite

• ][19][20][21][22][24][25]. In addition, in the calculations performed, the fractal nature [24][25][26][27] of magnetic clusters in biological media is taken into account. The numerical simulations are carried out using the Landau–Lifshitz (LL) stochastic equation [22][28][29][30][31]. It is found that

Magnetic-field sensor with self-reference characteristic based on a magnetic fluid and independent plasmonic dual resonances

• Kun Ren,
• Xiaobin Ren,
• Yumeng He and
• Qun Han

Beilstein J. Nanotechnol. 2019, 10, 247–255, doi:10.3762/bjnano.10.23

• consistent with the results in [31]. If there is no disk and no stub 2, κ1d = 0 and κw2 = 0, then Equaiton 13 reduces to which is same as Equation 11. This is exactly the transmission efficiency of a one-stub system. Results and Discussion Numerical simulations were performed by using COMSOL Multiphysics to

Electrostatic force microscopy for the accurate characterization of interphases in nanocomposites

• Diana El Khoury,
• Richard Arinero,
• Jean-Charles Laurentie,
• Mikhaël Bechelany,
• Michel Ramonda and
• Jérôme Castellon

Beilstein J. Nanotechnol. 2018, 9, 2999–3012, doi:10.3762/bjnano.9.279

• deduced by comparison of experimental data and numerical simulations, as well as the interface state of silicone dioxide layers. Keywords: atomic force microscopy; building-block materials; dielectric permittivity; electrostatic force microscopy; finite element simulation; interphases; nanocomposites

• experimental results were compared to finite element numerical simulations, obtained with the AC–DC module, electrostatics physics interface, of the Comsol® Multiphysics software. Results and Discussion In our previous work, we verified that EFM can distinguish homogeneous from heterogeneous stacked materials

• total particle coverage. The quantification of the dielectric permittivity of the used materials, within all types of association, was possible by comparing experimental data and numerical simulations. This paper also discussed the possibility of using the developed approaches to distinguish the

Charged particle single nanometre manufacturing

• Philip D. Prewett,
• Cornelis W. Hagen,
• Claudia Lenk,
• Steve Lenk,
• Marcus Kaestner,
• Tzvetan Ivanov,
• Ahmad Ahmad,
• Ivo W. Rangelow,
• Xiaoqing Shi,
• Stuart A. Boden,
• Alex P. G. Robinson,
• Dongxu Yang,
• Sangeetha Hari,
• Marijke Scotuzzi and
• Ejaz Huq

Beilstein J. Nanotechnol. 2018, 9, 2855–2882, doi:10.3762/bjnano.9.266

• exposure to the electron beam resulting in the formation of surface defects. They performed EBIE of ultra nanocrystalline diamond as well as numerical simulations to study this effect and demonstrated that the rate is limited by the number of active sites available for etching. In the field of sub-10 nm

Enhancement of X-ray emission from nanocolloidal gold suspensions under double-pulse excitation

• Wei-Hung Hsu,
• Frances Camille P. Masim,
• Armandas Balčytis,
• Hsin-Hui Huang,
• Tetsu Yonezawa,
• Aleksandr A. Kuchmizhak,
• Saulius Juodkazis and
• Koji Hatanaka

Beilstein J. Nanotechnol. 2018, 9, 2609–2617, doi:10.3762/bjnano.9.242

• . The plasmon resonance excitation for these NPs is expected to be near 520 nm. This provides a moderate enhancement of the optical near-fields as shown further by numerical simulations. The incident fluence of the main pulse used in the present study significantly exceeds both the ablation threshold

Au–Si plasmonic platforms: synthesis, structure and FDTD simulations

• Anna Gapska,
• Marcin Łapiński,
• Paweł Syty,
• Wojciech Sadowski,
• Józef E. Sienkiewicz and
• Barbara Kościelska

Beilstein J. Nanotechnol. 2018, 9, 2599–2608, doi:10.3762/bjnano.9.241

• distributions, which could be helpful in identifying some structures in the investigated system (so called hot spots), responsible for light enhancement at some frequencies. This can be achieved by using numerical simulations. The method often used for this type of calculation is the finite-difference time

• ] in the wavelength range of 300–1200 nm. The fitting error was below 5% for Au and below 3% for Si, for both real and imaginary parts. The scheme of the system for numerical simulations that imitated the experimental setup is shown in the Figure 12. Two independent simulations were performed, each for

Evidence of friction reduction in laterally graded materials

• Roberto Guarino,
• Gianluca Costagliola,
• Federico Bosia and
• Nicola Maria Pugno

Beilstein J. Nanotechnol. 2018, 9, 2443–2456, doi:10.3762/bjnano.9.229

• graded materials; numerical simulations; Introduction Materials with a gradient in their physical or elastic properties are widely found in nature. Several known biological systems have developed specialized functionalities due to stiffness, density or composition gradients. Beetles, for instance

• properties (Young’s modulus and local coefficients of friction), focusing on the effects on the global static friction and the detachment process at the onset of sliding. The system has been investigated by means of numerical simulations using 2D SBM and 3D FEM to verify the results and to exploit additional

Adhesive contact of rough brushes

• Qiang Li and
• Valentin L. Popov

Beilstein J. Nanotechnol. 2018, 9, 2405–2412, doi:10.3762/bjnano.9.225

• is universally determined by the grading exponent k. Thus, we conclude that material gradients with a positive grading exponent k strongly enhance adhesion to very rough surfaces. Conclusion Numerical simulations of finite brushes using the boundary element method show that the earlier simplified

Recent highlights in nanoscale and mesoscale friction

• Andrea Vanossi,
• Dirk Dietzel,
• Andre Schirmeisen,
• Ernst Meyer,
• Rémy Pawlak,
• Thilo Glatzel,
• Marcin Kisiel,
• Shigeki Kawai and
• Nicola Manini

Beilstein J. Nanotechnol. 2018, 9, 1995–2014, doi:10.3762/bjnano.9.190

• identified in the simple ideal 1D geometry [137][138][139][140] was also demonstrated in 2D [141][142] and 3D [143] realistic numerical simulations, but it still awaits experimental confirmation. Trapped optical systems: ions and colloids One of the main challenges and difficulties in unraveling the

• substrates (Figure 4) play a crucial role in tribology. Experiments [164] agree with theory and numerical simulations [165][166][167][168] in showing the radical change of the static-friction threshold from the highly pinned regime of the lattice-matched colloidal layer to a practically superlubric

Defect formation in multiwalled carbon nanotubes under low-energy He and Ne ion irradiation

• Santhana Eswara,
• Jean-Nicolas Audinot,
• Brahime El Adib,
• Maël Guennou,
• Tom Wirtz and
• Patrick Philipp

Beilstein J. Nanotechnol. 2018, 9, 1951–1963, doi:10.3762/bjnano.9.186

• experimental results are compared to numerical simulations to explain the different observations and to discuss the irradiation of suspended vs deposited MWCNTs and the influence of the thickness of a layer of suspended MWCNTs on the modifications. This correlative approach provides insights related to optimal

• imaging conditions for HIM as well as controlled and targeted structural modification of carbon using ion-irradiation. Numerical simulations will rely on the SDTRIMSP code [47], which is relying on the binary collision approximation (BCA). This decision is based on SDTRIMSP’s ability to model ion fluences

• structural information from TEM images and the chemical signal from Raman spectra are both consistent with each other and also with the simulations results shown below in Figure 4. Simulation of He and Ne irradiation Numerical simulations have been carried out using the SDTRIMSP code [47]. As this code does

The role of the Ge mole fraction in improving the performance of a nanoscale junctionless tunneling FET: concept and scaling capability

• Hichem Ferhati,
• Fayçal Djeffal and
• Toufik Bentrcia

Beilstein J. Nanotechnol. 2018, 9, 1856–1862, doi:10.3762/bjnano.9.177

• structure demonstrates a superior switching behavior. This makes the optimized structure a potential alternative for providing energy-efficient transistors with suppressed ambipolar conduction for designing high-performance nanoelectronic circuits at low manufacturing cost. Numerical Simulations Figure 1

• applications. Moreover, this study can be extended by investigating the impact of other parameters such as the interfacial defects between both Si and SiGe materials and the degradation-related ageing effects including stress. To do so, new complex models and numerical simulations need to be developed