Integrated photonics multi-waveguide devices for optical trapping and Raman spectroscopy: design, fabrication and performance demonstration

• Gyllion B. Loozen,
• Arnica Karuna,
• Mohammad M. R. Fanood,
• Erik Schreuder and
• Jacob Caro

Beilstein J. Nanotechnol. 2020, 11, 829–842, doi:10.3762/bjnano.11.68

• scale) and the mass producibility. In [6], we presented a detailed simulation study of the trapping capabilities for extracellular vesicles (EVs) of the dual-waveguide trap we used in [5]. EVs are small cell-derived particles (diameter ranging from 30 to 1000 nm) and are important as potential

• index of silicon nitride, silicon oxide and water is chosen as nSi3N4 = 2.00, nSiO2 = 1.45, and nH20 = 1.33, respectively. To obtain the characteristics of the emitted beams, we follow the simulation approach of our previous work [6]. Figure 2a shows the longitudinal profiles of the energy density U of

Adsorption behavior of tin phthalocyanine onto the (110) face of rutile TiO₂

• Lukasz Bodek,
• Mads Engelund,
• Aleksandra Cebrat and
• Bartosz Such

Beilstein J. Nanotechnol. 2020, 11, 821–828, doi:10.3762/bjnano.11.67

• ) 15 × 15 nm2, b) 9 × 9 nm2, c) 3.4 × 2.9 nm2; It = 15 pA; Utip = 1.6 V. Scale bars: a) 3 nm, b) 2 nm and c) 1 nm. a) RT-STM image of SnPc molecules in both geometries; b) LT-STM image of a molecule identified as Sn-down Pc; c) empty-state STM image simulation obtained for the lowest unoccupied

Quantitative determination of the interaction potential between two surfaces using frequency-modulated atomic force microscopy

• Nicholas Chan,
• Carrie Lin,
• Tevis Jacobs,
• Robert W. Carpick and
• Philip Egberts

Beilstein J. Nanotechnol. 2020, 11, 729–739, doi:10.3762/bjnano.11.60

• experiments is often challenging as the measured adhesion and friction forces cannot provide direct mechanistic understanding of atomic-scale interactions that occur at the contact interface. Thus, it is often desirable to incorporate complementary atomistic simulation techniques [18][19][20][21] or contact

Effect of Ag loading position on the photocatalytic performance of TiO₂ nanocolumn arrays

• Jinghan Xu,
• Yanqi Liu and
• Yan Zhao

Beilstein J. Nanotechnol. 2020, 11, 717–728, doi:10.3762/bjnano.11.59

• efficiency of methylene blue (MB) compared with Ag-coated TiO2 (ACT) nanocolumn arrays and pure TiO2 nanocolumns arrays. Both experimental and theoretical simulation results demonstrated that the enhanced photocatalytic performance of AFT nanocolumn arrays was attributed to the surface plasmon resonance (SPR

• the influence of Ag loading position and deposition thickness on the photocatalytic reaction, we used a finite-difference time-domain (FDTD) simulation to study the electromagnetic field distribution of Ag-loaded TiO2 arrays with different structures. Figure 8 shows the simulation of the electric

• (c1–4) shows the results of the simulation of the AFT3 structure. The diameter of Ag particles in the nanocolumn is 8 nm, the distance between the horizontal and vertical spherical centers is 11 nm, the distance between the vertical spherical centers is 14 nm, and the diameter of Ag particles at the

Stochastic excitation for high-resolution atomic force acoustic microscopy imaging: a system theory approach

• Edgar Cruz Valeriano,
• José Juan Gervacio Arciniega,
• Christian Iván Enriquez Flores,
• Susana Meraz Dávila,
• Joel Moreno Palmerin,
• Martín Adelaido Hernández Landaverde,
• Yuri Lizbeth Chipatecua Godoy,
• Aime Margarita Gutiérrez Peralta,
• Rafael Ramírez Bon and
• José Martín Yañez Limón

Beilstein J. Nanotechnol. 2020, 11, 703–716, doi:10.3762/bjnano.11.58

• presented and discussed. Equation 21 and Equation 27 are simulated with the following numerical data obtained from [28]: E = 169.7 GPa, I = 3.64 × 10−22 m4, c = 1 × 10−18 kg/ms and m = 4.08 × 10−7 kg/m. For the free cantilever, the simulation is shown in Figure 4a. In this figure, a difference in resonance

• cantilever that can be fitted best to these frequencies. For a cantilever in contact with the sample, the simulation is shown for three cantilevers with a contact stiffness of 10 N/m and different lengths of L = 300, 400 and 500 µm (Figure 4b). The behavior of the resonance frequencies is similar to that of

• cantilever with L = 400 µm is used and its contact stiffness is changed, it can be seen how the resonance frequencies increase with increasing contact stiffness. Three simulations are shown for contact stiffness values of = 1, 10 and 100 N/m (Figure 4c). The simulation results offer enough support for an

Multilayer capsules made of weak polyelectrolytes: a review on the preparation, functionalization and applications in drug delivery

• Varsha Sharma and
• Anandhakumar Sundaramurthy

Beilstein J. Nanotechnol. 2020, 11, 508–532, doi:10.3762/bjnano.11.41

• al. by using a combination of theory, simulation and experiments on the arbitrary sequence of charges [41]. The results indicated that an increase in charge fraction and blockiness generally leads to an increase in the two-phase region of the phase diagram, thereby showing enhanced phase separation

Evolution of Ag nanostructures created from thin films: UV–vis absorption and its theoretical predictions

• Robert Kozioł,
• Marcin Łapiński,
• Paweł Syty,
• Damian Koszelow,
• Wojciech Sadowski,
• Józef E. Sienkiewicz and
• Barbara Kościelska

Beilstein J. Nanotechnol. 2020, 11, 494–507, doi:10.3762/bjnano.11.40

• three-dimensional simulation of electromagnetic field propagation through a selected sample (thickness 7 nm, annealed at 550 °C for 15 min) was performed using the FDTD method [14], implemented in the OmniSim package, produced by Photon Design, UK. Positions and sizes of the silver nanoparticles

• pulse was set to rectangular. The pulse duration was set to 20 fs and the overall simulation time to 100 fs. This was enough to observe plasmonic decay. The field was calculated in a plane located 10 nm above the substrate. For calculations of the absorbance, the pulse shape was set to sinusoidal. The

• may be reflected in the UV–vis absorption spectrum. However, in the case of the tested samples, no changes in the UV–vis spectrum associated with the electronic structure were observed. FDTD simulation results In Figure 13 the calculated intensity distribution (Figure 13a) and its amplitude as a

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

• second case, we performed a numerical simulation for a dynamic AFM experiment that operates in the attractive tip–sample interaction regime. For this we have integrated the equation of motion of a spring–mass–dashpot model (Equation 21), customarily used to model dynamic AFM [45], where meff is the

• effective mass of the cantilever, f0 its natural frequency, k its stiffness and Q its quality factor: Fexcitation is the sinusoidal driving force and the tip–sample interaction force, Finteraction, is based on the Hamaker equation [42]. The simulation parameters are provided in Table 1. In the power

• spectrum of the cantilever response (Figure 6), one can observe that the an values decrease rather rapidly, such that only the first peak contributes significantly. Therefore, the frequency representation of the tunnelling current obtained for the numerical simulation is very close to the representation

DFT calculations of the structure and stability of copper clusters on MoS₂

• Cara-Lena Nies and
• Michael Nolan

Beilstein J. Nanotechnol. 2020, 11, 391–406, doi:10.3762/bjnano.11.30

• out with density functional theory (DFT) using the Vienna ab initio simulation package (VASP) version 5.4 [34]. It uses 3D periodic boundary conditions and the spin-polarized generalized gradient approximation (GGA) using the Perdew–Burke–Ernzerhof (PBE) approximation to the exchange–correlation

• simulation environment (ASE) package [38]. The atomic charges were computed from the Bader charge partitioning scheme [39][40]. To understand the binding of Cu to the MoS2 monolayer, three different energies were computed. 1. Binding energy per Cu atom: Etotal is the total energy of the relaxed Cun (n = 1–4

Understanding nanoparticle flow with a new in vitro experimental and computational approach using hydrogel channels

• Armel Boutchuen,
• Dell Zimmerman,
• Abdollah Arabshahi,
• John Melnyczuk and
• Soubantika Palchoudhury

Beilstein J. Nanotechnol. 2020, 11, 296–309, doi:10.3762/bjnano.11.22

• ]. Thus, the experimental mass loss trend at different concentrations helped us in understanding the different influences on NP flow at these regimes. We further enhanced the reliability of our approach to predict NP flow through physiologically relevant environments by coupling CFD simulation with the

• magnitude to visualize the NP flow for the total inlet mass of 4.12 g is presented in Figure 10. The mass losses computed on the refined meshes did not appreciably vary from those computed on the corresponding previous meshes (129 × 49 × 37 and 193 × 97 × 37), and it was safely assumed that the simulation

• results are grid independent. The computed mass losses of the particles are 1.341% and 6.253% for 4.12 g and 2.008 g inlet concentrations of NP fluid flow in hydrogel channels, respectively. It is observed that the numerical simulation results favorably agree with experimental data (1.286% and 5.96

Rational design of block copolymer self-assemblies in photodynamic therapy

• Maxime Demazeau,
• Laure Gibot,
• Anne-Françoise Mingotaud,
• Patricia Vicendo,
• Clément Roux and
• Barbara Lonetti

Beilstein J. Nanotechnol. 2020, 11, 180–212, doi:10.3762/bjnano.11.15

Nonclassical dynamic modeling of nano/microparticles during nanomanipulation processes

• Moharam Habibnejad Korayem,
• Ali Asghar Farid and
• Rouzbeh Nouhi Hefzabad

Beilstein J. Nanotechnol. 2020, 11, 147–166, doi:10.3762/bjnano.11.13

• ; nanoparticle modeling; size effects; Introduction It is not possible to simultaneously observe and manipulate a nanoparticle using atomic force microscopy (AFM) as the imaging and manipulation tools are combined. As a result, dynamic modeling and simulation are essential in this field of research. For the

• considerable importance. Korayem and Saraee studied the effective forces in three-dimensional (3D) manipulation of biological nanoparticles for the first time. The simulation results were compared with those obtained from modeling the gold nanoparticle manipulation. In addition, the 3D stiffness matrix for a

• . Mechanical modeling and finite element simulation were employed to analyze the behavior of samples and optimize the manipulation method. The model used for mechanical modeling was the classical Euler–Bernoulli beam model [18]. AFM cantilever dimensions are at micrometer scale and designers are constantly

Molecular architectonics of DNA for functional nanoarchitectures

• Debasis Ghosh,
• Lakshmi P. Datta and
• Thimmaiah Govindaraju

Beilstein J. Nanotechnol. 2020, 11, 124–140, doi:10.3762/bjnano.11.11

• designed a porphyrin-tethered single-DNA duplex as a transmembrane ion channel [94]. Their minimalistic design approach involved the attachment of six porphyrin units along the oligonucleotide sequence that facilitated the movement of ions through the channel. The schematic of molecular dynamics simulation

The effect of heat treatment on the morphology and mobility of Au nanoparticles

• Sven Oras,
• Sergei Vlassov,
• Simon Vigonski,
• Boris Polyakov,
• Mikk Antsov,
• Vahur Zadin,
• Rünno Lõhmus and
• Karine Mougin

Beilstein J. Nanotechnol. 2020, 11, 61–67, doi:10.3762/bjnano.11.6

• . After each scan, the force applied on the NPs was increased until all the particles in the area were displaced or the force was high enough to start severely damaging the tip. If the tip was too dull for performing manipulations, the tip was replaced with a fresh and sharp AFM tip. Simulation setup

• . Nevertheless, the temperature used in the simulations is significantly below the melting temperature of Au. Furthermore, in the computational model, the dynamics of diffusion are unaffected by temperature, making comparisons to experimental results possible [21]. Visualizations of the results of the simulation

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

• Chemical and Petroleum Engineering, University of Calgary, Calgary T2N1N4, Canada 10.3762/bjnano.11.3 Abstract A novel surface morphology for pipelines using transverse microgrooves was proposed in order to reduce the pressure loss of fluid transport. Numerical simulation and experimental research efforts

• obtained by an orthogonal analysis method. The comparative experiments were conducted in a water tunnel, and a maximum drag reduction rate of 3.21% could be achieved. The numerical simulation and experimental results were cross-checked and found to be consistent with each other, allowing to verify that the

• increased drag rate was found. Tokunaga [34] investigated a turbulent channel flow with one concave transverse groove by the large eddy simulation (LES) method, and the results showed that the turbulence was weakened, and substantial drag reduction was found at the Reynolds number 8000. Dou and co-workers

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

• kinds of resonators and two stubs which are side-coupled to a metal–dielectric–metal (MDM) waveguide. By utilizing numerical investigation with the finite element method (FEM), the simulation results show that the transmission spectrum of the nanosensor has as many as five sharp Fano resonance peaks

• nm by the finite element method (FEM). The simulation results show that the transmission spectrum has five Fano resonances with nearly 200 nm intervals between the different modes. Thus, each Fano resonance peak can be independently and precisely tuned by changing the parameters of the corresponding

• resonators also provides a powerful theoretical guidance for all-optical integration systems and ultra-compact plasmonic devices. Modeling and Simulation Figure 1 shows a schematic diagram of the plasmonic nanosensor designed in this work. It is composed of three resonators (an asymmetric T-shaped, a ring

Formation of metal/semiconductor Cu–Si composite nanostructures

• Natalya V. Yumozhapova,
• Andrey V. Nomoev,
• Vyacheslav V. Syzrantsev and
• Erzhena C. Khartaeva

Beilstein J. Nanotechnol. 2019, 10, 2497–2504, doi:10.3762/bjnano.10.240

• possibility of the formation of the Cu–Si nanoparticles from both a homogeneous alloy and two initial drops at short distance were shown. A comparative analysis showed that the diameter distribution of copper and silicon atoms in experimental particles coincides with the simulation results with silicon

• and residence time in the liquid phase) in the formation, structure, and morphology of nanoparticles remains unclear. In [17], the simulation of the formation of the Si/Au core–shell nanoparticles obtained from two liquid drops of gold and silicon was presented. Additionally, the authors, using the

• precipitation of the powder. The composite nanoparticle vapour, passing into the chamber (9) through the pipe (8), is deposited on the filter (10). Simulation Technique For the simulations, we used the molecular dynamics method, in which the matter is considered at the atomic level without explicitly taking

Label-free highly sensitive probe detection with novel hierarchical SERS substrates fabricated by nanoindentation and chemical reaction methods

• Jingran Zhang,
• Tianqi Jia,
• Yongda Yan,
• Li Wang,
• Peng Miao,
• Yimin Han,
• Xinming Zhang,
• Guangfeng Shi,
• Yanquan Geng,
• Zhankun Weng,
• Daniel Laipple and
• Zuobin Wang

Beilstein J. Nanotechnol. 2019, 10, 2483–2496, doi:10.3762/bjnano.10.239

• of the Cu substrate. The simulation model corresponds to the SEM topography of the indentation structures fabricated by different feeds in the AgNO3 solution after 5 minutes as shown in Figure 1d,e. The Ag nanoparticles are formed on the pile-ups of the indentation structures and the adjacent

• nanoparticles with a radius of 100 nm are contacted with each other, which corresponds well to the simulation model. The simulation results in this section are consistent with the Raman intensities of the R6G molecules detected on the different triangular cavities in the experiment as shown in Figure 6b. As

Abrupt elastic-to-plastic transition in pentagonal nanowires under bending

• Sergei Vlassov,
• Magnus Mets,
• Boris Polyakov,
• Jianjun Bian,
• Leonid Dorogin and
• Vahur Zadin

Beilstein J. Nanotechnol. 2019, 10, 2468–2476, doi:10.3762/bjnano.10.237

• are described by the widely used embedded atom method (EAM), and a potential for Ag is utilized here [36]. Due to the limitation of computational resources, the size of the nanowire in simulation is much smaller than that in the experiments. Figure 2a shows the atomic configuration of the penta

• -twinned NW in the present simulation. The simulated model is ≈60.0 nm in length and ≈14.2 nm in diameter. The total number of Ag atoms is ≈0.474 million. Figure 1b shows the initial five-fold internal twin structures. In the simulation, free boundary conditions are imposed in all directions. The time

• surface necking remains (Figure 8iv). In order to confirm if the deformation is rate dependent, we also performed a quasi-static simulation. The results are shown in Figure S2 in Supporting Information File 1. The deformation of the NW was similar to that in the main result and is rate-independent. The

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

• corresponding resonance wavelength will become longer. The simulation shows that the Fano peak has a red-shift, which is consistent with the analysis. Figure 3b shows the evolution of transmission as a function of the outer radius R. The inset shows the resonance wavelength λ0 as a function of R. With the

Mobility of charge carriers in self-assembled monolayers

• Zhihua Fu,
• Tatjana Ladnorg,
• Hartmut Gliemann,
• Alexander Welle,
• Asif Bashir,
• Michael Rohwerder,
• Qiang Zhang,
• Björn Schüpbach,
• Andreas Terfort and
• Christof Wöll

Beilstein J. Nanotechnol. 2019, 10, 2449–2458, doi:10.3762/bjnano.10.235

• conductivity within self-assembled monolayers was further corroborated by Bashir et al. through the application of molecular dynamics simulation where the charge transport was taken explicitly into account [29]. The theoretical study on the optimized model of HBC by using the Ehrenfest (mean field) approach

• demonstrated that the molecular packing of the monomers within the SAM is beneficial to the intermolecular electronic coupling and further promote charge carrier mobility. In accordance with the simulation, the experimental analysis of the apparent height of the islands as a function of island diameter in the

• Figure 1). This expression is not strictly correct, but numerical simulation reveals a deviation of less than 1% [29]. In the following we assume a 1D transport of charges along the (112) direction, because from the packing of the PAT-molecules (see Figure 3 and Figure 1g), we expect good π–π-overlap

Deterministic placement of ultra-bright near-infrared color centers in arrays of silicon carbide micropillars

• Stefania Castelletto,
• Abdul Salam Al Atem,
• Faraz Ahmed Inam,
• Hans Jürgen von Bardeleben,
• Sophie Hameau,
• Ahmed Fahad Almutairi,
• Gérard Guillot,
• Shin-ichiro Sato,
• Alberto Boretti and
• Jean Marie Bluet

Beilstein J. Nanotechnol. 2019, 10, 2383–2395, doi:10.3762/bjnano.10.229

• 900 nm, which is reduced to 20 because of the broad emission of the center and average values of CE = 31 and τbulk/τpillar = 0.92. The experimental values vary from pillar to pillar with FE = 3–20 and τbulk/τpillar = 0.77–0.92. The discrepancy between the experimental results and the simulation

• ) Optical microscopy and SEM images of various steps highlighted in the top row. (i) Proton irradiation SRIM simulation, with H+ stopping line (Rp); (ii) schematics of the vacancy locations in the material. (iii) SEM image of a single pillar. (a–c) Room-temperature PL spectra of the pillars and the gap area

• in the pillar (for the longest pillar lifetime measured), τbulk/τpillar, is 0.77. Finite-element method simulation for a pillar of 4.3 µm height and a dipole orientation 8° off the c-axis. Two geometries of the pillars are considered, cylindrical (circles) and conical (triangles). (a) Radiation

Design of a nanostructured mucoadhesive system containing curcumin for buccal application: from physicochemical to biological aspects

• Sabrina Barbosa de Souza Ferreira,
• Gustavo Braga,
• Évelin Lemos Oliveira,
• Jéssica Bassi da Silva,
• Hélen Cássia Rosseto,
• Lidiane Vizioli de Castro Hoshino,
• Mauro Luciano Baesso,
• Wilker Caetano,
• Craig Murdoch,
• Helen Elizabeth Colley and
• Marcos Luciano Bruschi

Beilstein J. Nanotechnol. 2019, 10, 2304–2328, doi:10.3762/bjnano.10.222

• evaporator. Therefore, the incorporation kinetic profile was carried out at 25 and 37 °C, for simulation of the temperature of CUR incorporation by the second and the first preparation method, respectively. Furthermore, the analysis at 37 °C results in the condition where P407 micelles are well-structured

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

• SAR values of the order of 400–500 W/g can be obtained in a rotating magnetic field with a frequency f = 400 kHz and a moderate magnetic field amplitude H0 = 100 Oe. Keywords: magnetic hyperthermia; magnetic nanoparticles; numerical simulation; rotating magnetic field; specific absorption rate

• magnetic hyperthermia. As Figure 7b shows, in this case SAR values of about 400–600 W/g can be obtained over a wide range of nanoparticle diameters, D = 20–30 nm. Conclusion In this paper the dynamics of superparamagnetic nanoparticles in a viscous fluid in RMFs is studied using both numerical simulation

• in magneto-dynamics (MD) approximation are shown in slide 2. Numerical simulation results for the dynamics of vectors α and n in different modes are given in slides 3–5. The dynamics of vectors α and n for modes 1, 2, and 3 are shown in slides 3, 4, and 5, respectively. Supporting Information File

Four self-made free surface electrospinning devices for high-throughput preparation of high-quality nanofibers

• Yue Fang and
• Lan Xu

Beilstein J. Nanotechnol. 2019, 10, 2261–2274, doi:10.3762/bjnano.10.218

• . Simulation of electric field The distribution of the electric field between the solution reservoir and the collector in the four different self-made FSE devices was simulated using the Maxwell 3D software. The simulations were carried out using the following experimentally realized parameters: the copper

• -value. The quality of the nanofibers prepared by the MBE, MFSE, OSFSE and SSFSE methods was compared to each other, and it could be found that the quality of the nanofibers obtained by the SSFSE approch was highest, in line with the results of the electric field simulation. Yield of PAN nanofibers

• devices, designed to obtain high-quality PAN nanofibers in large quantities. Using the Maxwell 3D software, the spinning mechanisms of the four FSE devices were studied by simulation of the electric field distribution, which is very import in the FSE process. The simulation results showed that the