Enhanced feedback performance in off-resonance AFM modes through pulse train sampling

• Mustafa Kangül,
• Navid Asmari,
• Santiago H. Andany,
• Marcos Penedo and
• Georg E. Fantner

Beilstein J. Nanotechnol. 2024, 15, 134–143, doi:10.3762/bjnano.15.13

• Ki. Through simulations based on Equation 2 we have determined that the ORT period and the delay impose a limit for the integral gain value (experimental results in Figure S1B, Supporting Information File 1). In order to prevent closed-loop oscillations caused by the resonance peak, it is necessary

• performance of the pulse sampling method improves the material contrast at the same surface speeds. Scale bar 10 μm. Supporting Information Supporting Information File 2: Simulations on unity feedback closed-loop ORT controller and closed-loop bandwidth measurements of both methods. Funding This work was

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

• frequency channels occupy areas within the left and right semicircles, respectively (Figure 1a). In each semicircle there are 44 CEBs with bow-tie dipole antennas. The receiving elements are located on the side of the substrate that is turned to the incident radiation. Numerical simulations of the frequency

• response of the two frequency channels of the receiving matrix were carried out. During the simulations, the antenna array was irradiated with the fundamental mode H11 of a round waveguide port with a diameter equal to the diameter of the opening of a back-to-back horn directed towards the receiving array

TEM sample preparation of lithographically patterned permalloy nanostructures on silicon nitride membranes

• Joshua Williams,
• Michael I. Faley,
• Joseph Vimal Vas,
• Peng-Han Lu and
• Rafal E. Dunin-Borkowski

Beilstein J. Nanotechnol. 2024, 15, 1–12, doi:10.3762/bjnano.15.1

• in Py nanodisks [1][2] with independent polarity and helicity [3]. Since then, many studies have been done on manipulating magnetic vortices inside Py nanodisks using micromagnetic simulations [4][5][6] and a variety of magnetic measurement techniques including magnetic force microscopy [7

A combined gas-phase dissociative ionization, dissociative electron attachment and deposition study on the potential FEBID precursor [Au(CH₃)₂Cl]₂

• Elif Bilgilisoy,
• Ali Kamali,
• Thomas Xaver Gentner,
• Gerd Ballmann,
• Sjoerd Harder,
• Hans-Peter Steinrück,
• Hubertus Marbach and
• Oddur Ingólfsson

Beilstein J. Nanotechnol. 2023, 14, 1178–1199, doi:10.3762/bjnano.14.98

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

• differences between the polytypes are very small [14][25]. In contrast, molecular dynamics simulations of metallic nanowires show a phase transformation from fcc to hcp below a critical diameter [26]. These findings support the feasibility of obtaining new hexagonal structures under conditions where surface

Spatial mapping of photovoltage and light-induced displacement of on-chip coupled piezo/photodiodes by Kelvin probe force microscopy under modulated illumination

• Zeinab Eftekhari,
• Nasim Rezaei,
• Hidde Stokkel,
• Jian-Yao Zheng,
• Andrea Cerreta,
• Ilka Hermes,
• Minh Nguyen,
• Guus Rijnders and
• Rebecca Saive

Beilstein J. Nanotechnol. 2023, 14, 1059–1067, doi:10.3762/bjnano.14.87

• actuators of varying sizes, namely A, B, C, and D. Only one-quarter of the devices were mapped, considering their symmetry. The experiment focused on studying the size-dependent displacement of these devices. Simulations We used COMSOL Multiphysics for the finite element method (FEM) simulations of our

• devices. Solid mechanics and electrostatics modules were coupled to facilitate the piezoelectricity calculations. As shown in Figure 2, the symmetry condition is used to reduce the computation cost of the simulations. Analogous to our AFM and KPFM experiments, the sample edges are fixed. Additionally, the

• displacement values for each point in Figure 3a by the corresponding photovoltage in Figure 3b. This analysis confirms that despite fluctuations in the photovoltage, the membrane deformation follows the trend that is expected from simulations. It demonstrates that the maximal displacement that occurred at the

Two-dimensional molecular networks at the solid/liquid interface and the role of alkyl chains in their building blocks

• Suyi Liu,
• Yasuo Norikane and
• Yoshihiro Kikkawa

Beilstein J. Nanotechnol. 2023, 14, 872–892, doi:10.3762/bjnano.14.72

• ) as a reference can provide precise 2D structures, including intermolecular distances and molecular orientations. To study the adsorption of alkane on graphite, computational simulations such as molecular mechanics and DFT calculations with the local density approximation have been applied [48][49][53

Ultralow-energy amorphization of contaminated silicon samples investigated by molecular dynamics

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

Beilstein J. Nanotechnol. 2023, 14, 834–849, doi:10.3762/bjnano.14.68

• contaminant, water, sputtered by ultralow-energy ion beams, ranging from 50 to 500 eV and covering the full range of incidence angles, using molecular dynamics simulations with the ReaxFF potential. We show that the expected sputtering yield trends are maintained down to the lowest sputtering yields. A region

• . Keywords: angle dependency; argon; contamination; energy dependency; ion bombardment; low energy; molecular dynamics; silicon; simulations; water; Introduction Low-energy ion beams offer substantial improvements and possibilities to reduce the damage production on the surface of samples [1][2]. In recent

• -energy ion beams are hard to obtain experimentally, such beams are easy to model in simulations. In this paper, by studying the differences between higher (500 eV) and lower (50 eV) impact energies, we will show the differences in the amorphization processes. As expected, higher energies increase

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

• . Acoustic-electric conversion performance In order to further validate theoretically the effectiveness of the experiment, we conducted simulations using COMSOL software to analyze the internal voltage distribution and stress distribution of the piezoelectric film. Figure 9a–f illustrates the results of the

• simulations. Specifically, Figure 9a–c shows the simulated voltage distribution within the P(VDF-TrFE)/ZnO/GR piezoelectric film under sound pressures of 65, 75, and 85 dB. Figure 9d–f presents the corresponding stress distribution in the piezoelectric film. It is evident that as the sound pressure increases

Cross-sectional Kelvin probe force microscopy on III–V epitaxial multilayer stacks: challenges and perspectives

• Mattia da Lisca,
• José Alvarez,
• James P. Connolly,
• Nicolas Vaissiere,
• Karim Mekhazni,
• Jean Decobert and
• Jean-Paul Kleider

Beilstein J. Nanotechnol. 2023, 14, 725–737, doi:10.3762/bjnano.14.59

• , and the ϕtip value is set at 5.7 eV, that is, the value measured on our tip as reported above. Note that KELSCAN allows one to simulate VCPD measurements either under dark conditions or under illumination. In the case of “under illumination” simulations, the power density described in the above

• , which strongly impact the VCPD. In order to study the effects of surface defects on the VCPD, we have extended the energy band simulations to a non-ideal case in which constant distributions of acceptor-like and donor-like defects have been introduced at the surface, as described in the Experimental

• simulates our n-type substrate with a doping concentration of 5 × 1018 cm−3, and the second one is metal/InP:Zn/air, with InP:Zn having a p-type doping concentration of 1.5 × 1018 cm−3, similarly to the p-doped layer in our sample. In these simulations, the back metal/InP contact was assumed to be ohmic in

Current-induced mechanical torque in chiral molecular rotors

• Richard Korytár and
• Ferdinand Evers

Beilstein J. Nanotechnol. 2023, 14, 711–721, doi:10.3762/bjnano.14.57

• the fraction on the right-hand side can be interpreted approximately as the outgoing angular momentum current, in view of the expansion in Equation 18. Numerical simulations confirm the threshold behavior, see Figure 5. Below the threshold, the path is bound to the potential minimum. Above the

Investigations on the optical forces from three mainstream optical resonances in all-dielectric nanostructure arrays

• Guangdong Wang and
• Zhanghua Han

Beilstein J. Nanotechnol. 2023, 14, 674–682, doi:10.3762/bjnano.14.53

• object it encounters, and the resulting optical force can be used to manipulate particles at the micro- or nanoscale. In this work, we present a detailed comparison through numerical simulations of the optical forces that can be exerted on polystyrene spheres of the same diameter. The spheres are placed

Metal-organic framework-based nanomaterials as opto-electrochemical sensors for the detection of antibiotics and hormones: A review

• Akeem Adeyemi Oladipo,
• Saba Derakhshan Oskouei and
• Mustafa Gazi

Beilstein J. Nanotechnol. 2023, 14, 631–673, doi:10.3762/bjnano.14.52

• simulations based on density functional theory with periodic boundary conditions. In comparison to the building units, they noticed that MOFs have a charge distribution that remains constant, and their electronic properties show a wide range of bandgap energies categorized as insulators or semiconductors. The

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

• during suspension feeding. In the past, numerical simulations were used to study the detection of prey, mates, or predators and the feeding current generation by limb motion [28][39][40][41]. However, mechanical property gradients and adhesion of setae were previously not addressed. As model organism we

• . Results and Discussion Numerical simulations In this study, we restricted ourselves to a few biologically important questions: Is there a difference in feeding performance between a system possessing only short setae near the mouth opening and a system with both types of setae, long and short ones? Which

• amplitude? To elucidate this, we performed a set of numerical simulations with different configurations of the setae, the segments’ elasticity, and the adhesion of the segments. The relationship between different variants of elasticity for a system composed of only short setae, as well as for a system

Thermal transport in kinked nanowires through simulation

• Alexander N. Robillard,
• Graham W. Gibson and
• Ralf Meyer

Beilstein J. Nanotechnol. 2023, 14, 586–602, doi:10.3762/bjnano.14.49

• completely understood. The behaviour of the conductance is examined as kinks of varying angular intensity are included into nanowires. The effects on thermal transport are evaluated through molecular dynamics simulations, phonon Monte Carlo simulations and classical solutions of the Fourier equation. A

• system per unit time, P divided by temperature difference ΔT throughout the system: Molecular dynamics In Figure 2 we show the thermal conductance of kinked nanowires in MD simulations as they vary with kink angle. The cylindrical nanowires were simulated using a Lennard-Jones potential and built on an

• is known that nanoscale simulations can result in unexpected trends of thermal transport with system dimensions [35]. Since the variation in length and radius is over a small range, we do not see any anomalous trends in the thermal conductance. All the systems presented have broadly similar trends up

Transferability of interatomic potentials for silicene

• Marcin Maździarz

Beilstein J. Nanotechnol. 2023, 14, 574–585, doi:10.3762/bjnano.14.48

• potentials, a series of molecular dynamics (MD) simulations (200 atoms and 10000 timesteps, NVE ensemble) and LAMMPS’s built-in function timesteps/s were used. The results were then normalized relative to the longest run time. Interatomic potentials The parameterizations of the potentials listed below were

• the SO(3) smooth power spectrum potential (SO(3)) fitted to the ground-state of the crystalline silicon structure, strained structures, slabs, vacancy, and liquid configurations from DFT simulations ACE [45]: the machine-learning-based (ML-IAP) variant of the atomic cluster expansion potential (ACE

• , ReaxFF and MEAM2011, give the best quantitative performance measured by the total mean absolute percentage error (MAPE), see Table 6. Regarding the cost of calculations in terms of relative performance measured as normalized timesteps per second in molecular dynamics (MD) simulations, the EDIP and

Observation of multiple bulk bound states in the continuum modes in a photonic crystal cavity

• Rui Chen,
• Yi Zheng,
• Xingyu Huang,
• Qiaoling Lin,
• Chaochao Ye,
• Meng Xiong,
• Martijn Wubs,
• Yungui Ma,
• Minhao Pu and
• Sanshui Xiao

Beilstein J. Nanotechnol. 2023, 14, 544–551, doi:10.3762/bjnano.14.45

• simulations. Our findings have potential applications regarding the mode selectivity in BIC devices to manipulate the lasing mode in photonic-crystal surface-emitting lasers or the radiation pattern in nonlinear optics. Keywords: bound states in the continuum; bulk modes analysis; photonic crystal

•  1c at which is larger than 104. ANSYS simulations of the same device could yield more accurate Qr values of each mode, but only at computational cost that is too high for normal computers. The lower quality factor of the fabricated samples compared to the simulations in Figure 1c is due to the

• simulation, see Figure 5a. The waist radius of the Gaussian beam is 2 μm, which is similar to the focal spot in the experiment. The resonance spectra are extracted in the reflection monitor by applying an apodization window to cut the incident power. It could be observed in these simulations that the mode

Specific absorption rate of randomly oriented magnetic nanoparticles in a static magnetic field

• Ruslan A. Rytov and
• Nikolai A. Usov

Beilstein J. Nanotechnol. 2023, 14, 485–493, doi:10.3762/bjnano.14.39

• simulations using the stochastic Landau–Lifshitz equation are performed to study magnetization dynamics of dilute assemblies of iron oxide nanoparticles exposed to an alternating (ac) magnetic field with an amplitude Hac = 200 Oe and a frequency f = 300 kHz and a static (dc) magnetic field in the range Hdc

• paper, numerical simulations of the stochastic Landau–Lifshitz equation are used to study the dynamics of magnetization in dilute, randomly oriented assemblies of iron oxide nanoparticles under the combined action of ac and dc magnetic fields. It is shown that for nanoparticles with a diameter D < 25 nm

A mid-infrared focusing grating coupler with a single circular arc element based on germanium on silicon

• Xiaojun Zhu,
• Shuai Li,
• Ang Sun,
• Yongquan Pan,
• Wen Liu,
• Yue Wu,
• Guoan Zhang and
• Yuechun Shi

Beilstein J. Nanotechnol. 2023, 14, 478–484, doi:10.3762/bjnano.14.38

• depth. The incident angle is θ. In our work, the numerical simulations have been performed by using a commercial software of Lumerical FDTD solutions, which is based on the finite-difference time-domain method, and the light source we used for exciting the grating coupler is a Gaussian laser beam. The

Conjugated photothermal materials and structure design for solar steam generation

• Chia-Yang Lin and
• Tsuyoshi Michinobu

Beilstein J. Nanotechnol. 2023, 14, 454–466, doi:10.3762/bjnano.14.36

• constructing electron donor–acceptor pairs. Density functional theory (DFT) simulations indicated donor–acceptor interactions between arginine and PDA subunits, including the formation of 5,6-dihydroxyindole (DHI) and indole-5,6-quinone (IQ). Dopamine and arginine were copolymerized in an aqueous solution at

Plasmonic nanotechnology for photothermal applications – an evaluation

• A. R. Indhu,
• L. Keerthana and
• Gnanaprakash Dharmalingam

Beilstein J. Nanotechnol. 2023, 14, 380–419, doi:10.3762/bjnano.14.33

• theory, Gans theory, generic simulations on common plasmonic material morphologies, and the evaluation processes of PT performance. Further, a variety of nanomaterials and material classes that have potential for PPT conversion are elucidated, such as plasmonic metals, bimetals, and metal–metal oxide

• resulting from changes to shape, size, material, and dielectric can be effectively obtained from simulations. Such endeavours minimize the effort required for material optimization. Also, they allow for considerable flexibility in exploring unconventional morphologies and material combinations. With

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

• 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

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

• 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

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

• 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

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

• 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